smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCC(OC3CCCC3)CC1)C2	ZINC000329268327	861221943	/nfs/dbraw/zinc/22/19/43/861221943.db2.gz	IBTCYTUBMHBLRN-INIZCTEOSA-N	0	1	388.556	3.833	10	30		GHEEMN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCc3ccc(F)cc3Cl)C2)n1	ZINC000329611935	861773904	/nfs/dbraw/zinc/77/39/04/861773904.db2.gz	CINUOEOEDXATQS-OAHLLOKOSA-N	0	1	393.894	3.556	10	30		GHEEMN
C=CCOc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1	ZINC000246876675	891319272	/nfs/dbraw/zinc/31/92/72/891319272.db2.gz	FURYKSYRQRDHNU-DYESRHJHSA-N	0	1	380.492	3.679	10	30		GHEEMN
C=CCC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC	ZINC000036103742	570540259	/nfs/dbraw/zinc/54/02/59/570540259.db2.gz	OUQNTQCSQNVZCP-LJQANCHMSA-N	0	1	399.487	3.762	10	30		GHEEMN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000116568352	834366443	/nfs/dbraw/zinc/36/64/43/834366443.db2.gz	ONHZGEVBQFTSMO-KNQAVFIVSA-N	0	1	378.520	3.690	10	30		GHEEMN
C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCNC(=O)c1ccc2ccccc2c1	ZINC000329608728	835372058	/nfs/dbraw/zinc/37/20/58/835372058.db2.gz	BRXLOFQDCDALMX-DYESRHJHSA-N	0	1	379.504	3.620	10	30		GHEEMN
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000328922832	854622782	/nfs/dbraw/zinc/62/27/82/854622782.db2.gz	MSHLXVMAUQRNGA-ZLNRFVROSA-N	0	1	391.515	3.577	10	30		GHEEMN
CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1	ZINC000328992537	854644676	/nfs/dbraw/zinc/64/46/76/854644676.db2.gz	FURKMRBELVQLIK-NJAFHUGGSA-N	0	1	383.496	3.503	10	30		GHEEMN
Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N[C@H]3CCCc4ccccc43)C2)n1	ZINC000329182357	861113904	/nfs/dbraw/zinc/11/39/04/861113904.db2.gz	OYYTULMDFWGCEQ-NQIIRXRSSA-N	0	1	381.524	3.641	10	30		GHEEMN
N#CCCN(C(=O)CN1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1	ZINC000247082080	891343843	/nfs/dbraw/zinc/34/38/43/891343843.db2.gz	QMPWZOWBYAPEBW-RBUKOAKNSA-N	0	1	383.517	3.583	10	30		GHEEMN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000247010036	835084352	/nfs/dbraw/zinc/08/43/52/835084352.db2.gz	MHIOALZPXBONOD-NZQKXSOJSA-N	0	1	392.547	3.732	10	30		GHEEMN
CCn1cc(C2CCN(C([O-])=[NH+][C@H]3CCc4nc(C(C)(C)C)cn4C3)CC2)cn1	ZINC000329812904	862337932	/nfs/dbraw/zinc/33/79/32/862337932.db2.gz	DFSBNCGHGITBSO-SFHVURJKSA-N	0	1	398.555	3.505	10	30		GHEEMN
CC[C@@H]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1	ZINC000330323681	862906040	/nfs/dbraw/zinc/90/60/40/862906040.db2.gz	HVHNZAAJGKSQNZ-LCLWPZTBSA-N	0	1	375.561	3.618	10	30		GHEEMN
CC(C)n1cc([C@@H]2CN([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)C[C@H]2CO)cn1	ZINC000329070147	860992181	/nfs/dbraw/zinc/99/21/81/860992181.db2.gz	YKKIDOHEVZJEEP-OBQKJFGGSA-N	0	1	390.572	3.641	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000158990771	835672048	/nfs/dbraw/zinc/67/20/48/835672048.db2.gz	MBVOIUKSGGIYIX-COPCDDAFSA-N	0	1	391.519	3.636	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCCC3(CCCCC3)C2)CCCN1C	ZINC000329515760	861571666	/nfs/dbraw/zinc/57/16/66/861571666.db2.gz	ORZDUCYBRBRLCZ-AZUAARDMSA-N	0	1	387.572	3.763	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCCN(c3ccccc3)CC1)C2	ZINC000329268688	834680830	/nfs/dbraw/zinc/68/08/30/834680830.db2.gz	IELYDDQMMQJWTD-SFHVURJKSA-N	0	1	395.551	3.622	10	30		GHEEMN
CCOc1ccccc1[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)NC(C)=O	ZINC000329629807	835467445	/nfs/dbraw/zinc/46/74/45/835467445.db2.gz	HSHGEURVIJGEHZ-QRFRQXIXSA-N	0	1	387.524	3.578	10	30		GHEEMN
CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000106008646	855165699	/nfs/dbraw/zinc/16/56/99/855165699.db2.gz	FGTKLPYOLPCDET-UHFFFAOYSA-N	0	1	384.244	3.624	10	30		GHEEMN
C[C@@H]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1	ZINC000329195126	861125832	/nfs/dbraw/zinc/12/58/32/861125832.db2.gz	SGOJSMZKDAVKRZ-AJYBTWMASA-N	0	1	375.561	3.618	10	30		GHEEMN
Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1cccs1)O2	ZINC000094993325	525318831	/nfs/dbraw/zinc/31/88/31/525318831.db2.gz	DZPWUDBOOBGVHN-SCMMMUORSA-N	0	1	385.485	3.988	10	30		GHEEMN
C[C@H]1CN(C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)CCO1	ZINC000180411630	838570790	/nfs/dbraw/zinc/57/07/90/838570790.db2.gz	ANDOOZVAIIBYLJ-ZDUSSCGKSA-N	0	1	388.874	3.588	10	30		GHEEMN
CCn1cc(CN2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)cn1	ZINC000301400452	841178729	/nfs/dbraw/zinc/17/87/29/841178729.db2.gz	IIUOHJKPQJJOLK-UHFFFAOYSA-N	0	1	388.519	3.652	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@@H]1CCCOc3ccccc31)C2	ZINC000329189846	861117699	/nfs/dbraw/zinc/11/76/99/861117699.db2.gz	CEZMKBKVXJUDOC-DOTOQJQBSA-N	0	1	382.508	3.913	10	30		GHEEMN
COc1cccc([C@@H]2[C@@H](NC(=O)/C=C\c3ccccc3C#N)CCN2C2CC2)c1	ZINC000588397003	840517837	/nfs/dbraw/zinc/51/78/37/840517837.db2.gz	VHTAZRJPFAANEH-ZGBMSTNQSA-N	0	1	387.483	3.674	10	30		GHEEMN
N#Cc1ccccc1Cn1cccc1CN1CCC(C(=O)N2CCCCC2)CC1	ZINC000189567405	838275078	/nfs/dbraw/zinc/27/50/78/838275078.db2.gz	XMNUVJMIHNPRSA-UHFFFAOYSA-N	0	1	390.531	3.633	10	30		GHEEMN
COc1cccc([C@@H]2[C@H](NC(=O)/C=C\c3ccccc3C#N)CCN2C2CC2)c1	ZINC000588397004	840517790	/nfs/dbraw/zinc/51/77/90/840517790.db2.gz	VHTAZRJPFAANEH-ZOEYJSHUSA-N	0	1	387.483	3.674	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCC(OC3CCCC3)CC1)C2	ZINC000329268331	861221280	/nfs/dbraw/zinc/22/12/80/861221280.db2.gz	IBTCYTUBMHBLRN-MRXNPFEDSA-N	0	1	388.556	3.833	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H](C(C)(C)C)CC2)CCCN1C	ZINC000329521411	861586150	/nfs/dbraw/zinc/58/61/50/861586150.db2.gz	QTOABSQTOVJZNA-NLWGTHIKSA-N	0	1	389.588	3.865	10	30		GHEEMN
CC(C)n1cc([C@@H]2CN([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)C[C@H]2CO)cn1	ZINC000329070146	860992727	/nfs/dbraw/zinc/99/27/27/860992727.db2.gz	YKKIDOHEVZJEEP-MFYJRRGVSA-N	0	1	390.572	3.641	10	30		GHEEMN
C[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1n1ccnc1	ZINC000247325293	891367266	/nfs/dbraw/zinc/36/72/66/891367266.db2.gz	GFMFFBFTDPYOCY-DYESRHJHSA-N	0	1	375.476	3.517	10	30		GHEEMN
C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1n1ccnc1	ZINC000247325293	891367278	/nfs/dbraw/zinc/36/72/78/891367278.db2.gz	GFMFFBFTDPYOCY-DYESRHJHSA-N	0	1	375.476	3.517	10	30		GHEEMN
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(c2cccc3ccccc32)CC1	ZINC000329464263	861477903	/nfs/dbraw/zinc/47/79/03/861477903.db2.gz	UOYPPDFYNATDHG-SFHVURJKSA-N	0	1	375.476	3.540	10	30		GHEEMN
CCn1cc(C2CCN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC2)cn1	ZINC000329812902	862338516	/nfs/dbraw/zinc/33/85/16/862338516.db2.gz	DFSBNCGHGITBSO-GOSISDBHSA-N	0	1	398.555	3.505	10	30		GHEEMN
CC1(C)CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1Cc1ccccc1	ZINC000328722446	854503822	/nfs/dbraw/zinc/50/38/22/854503822.db2.gz	XODHQJVOHONVKZ-GOSISDBHSA-N	0	1	384.524	3.538	10	30		GHEEMN
CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330334012	862976896	/nfs/dbraw/zinc/97/68/96/862976896.db2.gz	QFECSLJWKZGCNZ-LCLWPZTBSA-N	0	1	375.561	3.618	10	30		GHEEMN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000247010015	891331541	/nfs/dbraw/zinc/33/15/41/891331541.db2.gz	MHIOALZPXBONOD-NFBKMPQASA-N	0	1	392.547	3.732	10	30		GHEEMN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000247050087	891338882	/nfs/dbraw/zinc/33/88/82/891338882.db2.gz	ONHZGEVBQFTSMO-DENIHFKCSA-N	0	1	378.520	3.690	10	30		GHEEMN
C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)[C@H]1CCCO1	ZINC000329578887	835283424	/nfs/dbraw/zinc/28/34/24/835283424.db2.gz	UAUQVQOSHUJJCD-BHYGNILZSA-N	0	1	375.517	3.513	10	30		GHEEMN
CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H](C)CCc1ccc3c(c1)OCO3)C2	ZINC000329289996	861249826	/nfs/dbraw/zinc/24/98/26/861249826.db2.gz	QGKFPCAKQGOOJJ-HNNXBMFYSA-N	0	1	398.507	3.566	10	30		GHEEMN
Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1	ZINC000330324710	862906974	/nfs/dbraw/zinc/90/69/74/862906974.db2.gz	IRNSEGLZMPEOGV-HFSMHLIXSA-N	0	1	383.540	3.718	10	30		GHEEMN
CC(C)c1nnc2n1C[C@@H](NC([O-])=[NH+]C1CC(c3cccc(Cl)c3)C1)CC2	ZINC000329493757	835141348	/nfs/dbraw/zinc/14/13/48/835141348.db2.gz	IDZHHKQLAVKYAW-WIHSUSGWSA-N	0	1	387.915	3.820	10	30		GHEEMN
CC(C)c1nnc2n1C[C@@H](NC(=O)NC1CC(c3cccc(Cl)c3)C1)CC2	ZINC000329493757	835141353	/nfs/dbraw/zinc/14/13/53/835141353.db2.gz	IDZHHKQLAVKYAW-WIHSUSGWSA-N	0	1	387.915	3.820	10	30		GHEEMN
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329276608	861233811	/nfs/dbraw/zinc/23/38/11/861233811.db2.gz	LHJWIAWGLKBARQ-DOADOZAASA-N	0	1	389.588	3.864	10	30		GHEEMN
C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1cc(F)ccc1N1CCN(C)CC1	ZINC000328774671	854536646	/nfs/dbraw/zinc/53/66/46/854536646.db2.gz	KKDLQMURYJXDBJ-HOTGVXAUSA-N	0	1	390.503	3.742	10	30		GHEEMN
N#CCOc1ccc(/C=C/C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1	ZINC000058530997	888440428	/nfs/dbraw/zinc/44/04/28/888440428.db2.gz	NUXRCEZRLKXXHG-BJMVGYQFSA-N	0	1	393.462	3.522	10	30		GHEEMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C1CC(c3cccc(Cl)c3)C1)CC2	ZINC000329493753	835141292	/nfs/dbraw/zinc/14/12/92/835141292.db2.gz	IDZHHKQLAVKYAW-ARWYELJZSA-N	0	1	387.915	3.820	10	30		GHEEMN
CC(C)c1nnc2n1C[C@H](NC(=O)NC1CC(c3cccc(Cl)c3)C1)CC2	ZINC000329493753	835141295	/nfs/dbraw/zinc/14/12/95/835141295.db2.gz	IDZHHKQLAVKYAW-ARWYELJZSA-N	0	1	387.915	3.820	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000329059635	860983305	/nfs/dbraw/zinc/98/33/05/860983305.db2.gz	NDONPPYWBHNJFO-NJYSJTHYSA-N	0	1	387.572	3.618	10	30		GHEEMN
C=CCOc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1	ZINC000246876711	891319520	/nfs/dbraw/zinc/31/95/20/891319520.db2.gz	FURYKSYRQRDHNU-LAUBAEHRSA-N	0	1	380.492	3.679	10	30		GHEEMN
N#Cc1ccccc1C=CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1	ZINC000588392267	840370212	/nfs/dbraw/zinc/37/02/12/840370212.db2.gz	SHZHNJKIMLKAPN-CBUFDYBVSA-N	0	1	383.455	3.763	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]2C2CCCCC2)CCC[N@H+]1C	ZINC000329480305	861514234	/nfs/dbraw/zinc/51/42/34/861514234.db2.gz	PFNWCQJLLKLOMJ-QKNQBKEWSA-N	0	1	387.572	3.762	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]2C2CCCCC2)CCCN1C	ZINC000329480305	861514244	/nfs/dbraw/zinc/51/42/44/861514244.db2.gz	PFNWCQJLLKLOMJ-QKNQBKEWSA-N	0	1	387.572	3.762	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H]2C2CCCCC2)CCC[N@H+]1C	ZINC000329480303	861514923	/nfs/dbraw/zinc/51/49/23/861514923.db2.gz	PFNWCQJLLKLOMJ-IRFCIJBXSA-N	0	1	387.572	3.762	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H]2C2CCCCC2)CCCN1C	ZINC000329480303	861514939	/nfs/dbraw/zinc/51/49/39/861514939.db2.gz	PFNWCQJLLKLOMJ-IRFCIJBXSA-N	0	1	387.572	3.762	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000116477719	858991671	/nfs/dbraw/zinc/99/16/71/858991671.db2.gz	AAQRWKAYLNZCIF-KUHUBIRLSA-N	0	1	383.883	3.639	10	30		GHEEMN
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](NC(=O)c1ccccn1)c1ccnc2ccccc21	ZINC000096029536	914044026	/nfs/dbraw/zinc/04/40/26/914044026.db2.gz	DKBSGEPCDLMFJP-XZUXRINTSA-N	0	1	398.510	3.997	10	30		GHEEMN
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1	ZINC000181369151	906983576	/nfs/dbraw/zinc/98/35/76/906983576.db2.gz	CRHLQZBJAGODGB-IBGZPJMESA-N	0	1	387.443	3.623	10	30		GHEEMN
CC(C)(C)CNC(=S)N/N=C/c1cc(Cl)cc(Br)c1O	ZINC000004300016	204037004	/nfs/dbraw/zinc/03/70/04/204037004.db2.gz	LPXZDDJURYESDF-UBKPWBPPSA-N	0	1	378.723	3.652	10	30		GHEEMN
CCN(CC)c1ccc(/C=N\[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1	ZINC000588577746	834565941	/nfs/dbraw/zinc/56/59/41/834565941.db2.gz	IVPRROFCHLGWSV-CFKHXJFWSA-N	0	1	383.467	3.598	10	30		GHEEMN
Cc1cccc2nc(CCC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[nH]c21	ZINC000176255258	845018503	/nfs/dbraw/zinc/01/85/03/845018503.db2.gz	YWKAVOGZHUOABW-UHFFFAOYSA-N	0	1	388.471	3.746	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CCCc2ccccc21	ZINC000330329136	862911120	/nfs/dbraw/zinc/91/11/20/862911120.db2.gz	MHWGQYWWWMJJPX-VLCRHTCISA-N	0	1	395.551	3.726	10	30		GHEEMN
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCC(C)(C)C1	ZINC000329211478	861149392	/nfs/dbraw/zinc/14/93/92/861149392.db2.gz	ZGHHVVJXUPVYOQ-YQVWRLOYSA-N	0	1	375.561	3.618	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCC(C)(C)C1	ZINC000329211478	861149399	/nfs/dbraw/zinc/14/93/99/861149399.db2.gz	ZGHHVVJXUPVYOQ-YQVWRLOYSA-N	0	1	375.561	3.618	10	30		GHEEMN
CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1	ZINC000329687154	835686159	/nfs/dbraw/zinc/68/61/59/835686159.db2.gz	VBCPHRZPZDNPPR-IAGOWNOFSA-N	0	1	398.555	3.505	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000329059640	860983537	/nfs/dbraw/zinc/98/35/37/860983537.db2.gz	NDONPPYWBHNJFO-VDRZXAFZSA-N	0	1	387.572	3.618	10	30		GHEEMN
Cc1cnn(CC2CCN([C@H](C)C(=O)N[C@@H]3CCOc4ccccc43)CC2)c1	ZINC000329185288	861113821	/nfs/dbraw/zinc/11/38/21/861113821.db2.gz	QCCYUVTXDKYIRE-YLJYHZDGSA-N	0	1	382.508	3.772	10	30		GHEEMN
CN1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCc3ccccc32)CC1	ZINC000329028430	845644835	/nfs/dbraw/zinc/64/48/35/845644835.db2.gz	AELCRLGVPJULTQ-LJQANCHMSA-N	0	1	377.488	3.782	10	30		GHEEMN
N#CCCn1cc(CN2CCC(Nc3nccs3)CC2)c(-c2ccccc2)n1	ZINC000189956693	884026049	/nfs/dbraw/zinc/02/60/49/884026049.db2.gz	BYBVSQZQXLOHAH-UHFFFAOYSA-N	0	1	392.532	3.997	10	30		GHEEMN
C[C@@H]1CN(C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)CCO1	ZINC000180411613	838571324	/nfs/dbraw/zinc/57/13/24/838571324.db2.gz	ANDOOZVAIIBYLJ-CYBMUJFWSA-N	0	1	388.874	3.588	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCCC1(C)C	ZINC000329075023	860997153	/nfs/dbraw/zinc/99/71/53/860997153.db2.gz	PLDCJFXPAAXCRC-QXAKKESOSA-N	0	1	375.561	3.618	10	30		GHEEMN
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000246786339	891306543	/nfs/dbraw/zinc/30/65/43/891306543.db2.gz	MBVOIUKSGGIYIX-BVYCBKJFSA-N	0	1	391.519	3.636	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000246786339	891306560	/nfs/dbraw/zinc/30/65/60/891306560.db2.gz	MBVOIUKSGGIYIX-BVYCBKJFSA-N	0	1	391.519	3.636	10	30		GHEEMN
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000246786408	891307328	/nfs/dbraw/zinc/30/73/28/891307328.db2.gz	MBVOIUKSGGIYIX-STZQEDGTSA-N	0	1	391.519	3.636	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000246786408	891307343	/nfs/dbraw/zinc/30/73/43/891307343.db2.gz	MBVOIUKSGGIYIX-STZQEDGTSA-N	0	1	391.519	3.636	10	30		GHEEMN
CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H](C)CCc1ccc3c(c1)OCO3)C2	ZINC000329289997	861249359	/nfs/dbraw/zinc/24/93/59/861249359.db2.gz	QGKFPCAKQGOOJJ-OAHLLOKOSA-N	0	1	398.507	3.566	10	30		GHEEMN
Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)n[nH]1	ZINC000328744066	854525441	/nfs/dbraw/zinc/52/54/41/854525441.db2.gz	ORIBHZQLZVYCFC-NHCUHLMSSA-N	0	1	395.551	3.866	10	30		GHEEMN
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329287897	861247798	/nfs/dbraw/zinc/24/77/98/861247798.db2.gz	PUUWDBXEYAYZTB-SFNKJDCFSA-N	0	1	375.561	3.521	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC(c3nccs3)CC1)C2	ZINC000329293541	861256134	/nfs/dbraw/zinc/25/61/34/861256134.db2.gz	RPBWSSYFHJUQNA-OAHLLOKOSA-N	0	1	387.553	3.746	10	30		GHEEMN
O=C(N[C@H]1CCc2cc(Br)ccc21)N1CCc2cc[nH]c(=O)c2C1	ZINC000330249707	842621349	/nfs/dbraw/zinc/62/13/49/842621349.db2.gz	GKXFAGLJZYDQMP-INIZCTEOSA-N	0	1	388.265	3.509	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H](C(C)(C)C)CC2)CCCN1C	ZINC000329521410	861586513	/nfs/dbraw/zinc/58/65/13/861586513.db2.gz	QTOABSQTOVJZNA-CMKODMSKSA-N	0	1	389.588	3.865	10	30		GHEEMN
Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C	ZINC000328810119	854544361	/nfs/dbraw/zinc/54/43/61/854544361.db2.gz	MGPRVGPXMLCJRM-UWJYYQICSA-N	0	1	395.551	3.944	10	30		GHEEMN
N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@@H]3c3nnc[nH]3)c2)c1	ZINC000181193073	906938637	/nfs/dbraw/zinc/93/86/37/906938637.db2.gz	YPSWDVRNWLQWSG-HXUWFJFHSA-N	0	1	387.443	3.623	10	30		GHEEMN
COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1Br	ZINC000033341723	523460259	/nfs/dbraw/zinc/46/02/59/523460259.db2.gz	XZDQJYCTNSTUGI-PXNMLYILSA-N	0	1	379.239	3.854	10	30		GHEEMN
C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000329659209	835552549	/nfs/dbraw/zinc/55/25/49/835552549.db2.gz	NZJCZBOARWNYLO-JNEKLRAESA-N	0	1	387.568	3.635	10	30		GHEEMN
CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330340909	863022313	/nfs/dbraw/zinc/02/23/13/863022313.db2.gz	YOEFDOFPMZYKKL-MJUUVYJYSA-N	0	1	389.588	3.864	10	30		GHEEMN
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329287899	861247992	/nfs/dbraw/zinc/24/79/92/861247992.db2.gz	PUUWDBXEYAYZTB-VUHPKUFZSA-N	0	1	375.561	3.521	10	30		GHEEMN
O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CCc2cc[nH]c(=O)c2C1	ZINC000330249708	842622928	/nfs/dbraw/zinc/62/29/28/842622928.db2.gz	GKXFAGLJZYDQMP-MRXNPFEDSA-N	0	1	388.265	3.509	10	30		GHEEMN
Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1	ZINC000329205832	861139434	/nfs/dbraw/zinc/13/94/34/861139434.db2.gz	ZJQJBHCQHLOTIR-GWVGAJKQSA-N	0	1	385.556	3.532	10	30		GHEEMN
CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3cnn(C(C)C)c3C2)C12CCCC2	ZINC000330058019	838992042	/nfs/dbraw/zinc/99/20/42/838992042.db2.gz	YJKXDXPHTPXCHV-YZGWKJHDSA-N	0	1	388.556	3.905	10	30		GHEEMN
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329276607	861234035	/nfs/dbraw/zinc/23/40/35/861234035.db2.gz	LHJWIAWGLKBARQ-AJYBTWMASA-N	0	1	389.588	3.864	10	30		GHEEMN
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000328922833	854623160	/nfs/dbraw/zinc/62/31/60/854623160.db2.gz	MSHLXVMAUQRNGA-ZRBLBEILSA-N	0	1	391.515	3.577	10	30		GHEEMN
CC[C@@H]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)C1	ZINC000330323682	862905882	/nfs/dbraw/zinc/90/58/82/862905882.db2.gz	HVHNZAAJGKSQNZ-PIKOESSRSA-N	0	1	375.561	3.618	10	30		GHEEMN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116568354	886365587	/nfs/dbraw/zinc/36/55/87/886365587.db2.gz	ONHZGEVBQFTSMO-UGKGYDQZSA-N	0	1	378.520	3.690	10	30		GHEEMN
C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000247057104	891340350	/nfs/dbraw/zinc/34/03/50/891340350.db2.gz	OWPLXCBVIXPZHG-LAUBAEHRSA-N	0	1	391.519	3.915	10	30		GHEEMN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000096336088	521238908	/nfs/dbraw/zinc/23/89/08/521238908.db2.gz	ZEJWPVJSUWIQSI-MRXNPFEDSA-N	0	1	396.424	3.918	10	30		GHEEMN
Cc1cc(Cl)c2ncc(C#N)c(N3CCC(N4CCO[C@@H](C)C4)CC3)c2c1	ZINC000407987183	838403465	/nfs/dbraw/zinc/40/34/65/838403465.db2.gz	WWIUFSKVFAFUEG-HNNXBMFYSA-N	0	1	384.911	3.758	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCCC1(C)C	ZINC000329075024	860996794	/nfs/dbraw/zinc/99/67/94/860996794.db2.gz	PLDCJFXPAAXCRC-YTQUADARSA-N	0	1	375.561	3.618	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCCC23CCCC3)CCCN1C	ZINC000329815694	862340638	/nfs/dbraw/zinc/34/06/38/862340638.db2.gz	NXPWAOQVEGSNQT-DFQSSKMNSA-N	0	1	387.572	3.810	10	30		GHEEMN
COc1ccccc1[C@H]1CCC[C@@H](C)N1CC(=O)N1CCC[C@@H](NC(C)=O)C1	ZINC000329033331	860962743	/nfs/dbraw/zinc/96/27/43/860962743.db2.gz	BQOAIWWGZAGWCO-YVWKXTFCSA-N	0	1	387.524	3.578	10	30		GHEEMN
CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3cnn(C(C)C)c3C2)C12CCCC2	ZINC000330058018	838992412	/nfs/dbraw/zinc/99/24/12/838992412.db2.gz	YJKXDXPHTPXCHV-YSIASYRMSA-N	0	1	388.556	3.905	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC(c3nccs3)CC1)C2	ZINC000329293539	861256911	/nfs/dbraw/zinc/25/69/11/861256911.db2.gz	RPBWSSYFHJUQNA-HNNXBMFYSA-N	0	1	387.553	3.746	10	30		GHEEMN
CC1(C)CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1Cc1ccccc1	ZINC000328722447	854503948	/nfs/dbraw/zinc/50/39/48/854503948.db2.gz	XODHQJVOHONVKZ-SFHVURJKSA-N	0	1	384.524	3.538	10	30		GHEEMN
CCc1csc([C@@H]2CCCN(C([O-])=[NH+]C[C@H]3CCCn4cc(C)nc43)C2)n1	ZINC000328735428	854542575	/nfs/dbraw/zinc/54/25/75/854542575.db2.gz	ZBLVXMFNVKUOAQ-HZPDHXFCSA-N	0	1	387.553	3.881	10	30		GHEEMN
Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C	ZINC000328810117	854544240	/nfs/dbraw/zinc/54/42/40/854544240.db2.gz	MGPRVGPXMLCJRM-UTKZUKDTSA-N	0	1	395.551	3.944	10	30		GHEEMN
COc1cccc(/C=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1	ZINC000005681300	525777951	/nfs/dbraw/zinc/77/79/51/525777951.db2.gz	MQWLEHXOFWDINU-BKUYFWCQSA-N	0	1	396.472	3.653	10	30		GHEEMN
C[C@H](C(=O)NC1CCCC1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000330187704	862646538	/nfs/dbraw/zinc/64/65/38/862646538.db2.gz	TZERBXLJFHRHHD-ZDPZECHZSA-N	0	1	395.507	3.773	10	30		GHEEMN
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000116477722	858991546	/nfs/dbraw/zinc/99/15/46/858991546.db2.gz	AAQRWKAYLNZCIF-LIRRHRJNSA-N	0	1	383.883	3.639	10	30		GHEEMN
C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329049198	860976478	/nfs/dbraw/zinc/97/64/78/860976478.db2.gz	VYYCHENDWHGPOR-VDZJLULYSA-N	0	1	389.544	3.685	10	30		GHEEMN
C[C@@H]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1	ZINC000329195127	861126483	/nfs/dbraw/zinc/12/64/83/861126483.db2.gz	SGOJSMZKDAVKRZ-DOADOZAASA-N	0	1	375.561	3.618	10	30		GHEEMN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000116568897	886366947	/nfs/dbraw/zinc/36/69/47/886366947.db2.gz	WNAJKPIBVKJXMD-GCJKJVERSA-N	0	1	396.510	3.829	10	30		GHEEMN
C[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1n1ccnc1	ZINC000247325309	891367012	/nfs/dbraw/zinc/36/70/12/891367012.db2.gz	GFMFFBFTDPYOCY-LAUBAEHRSA-N	0	1	375.476	3.517	10	30		GHEEMN
C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1n1ccnc1	ZINC000247325309	891367029	/nfs/dbraw/zinc/36/70/29/891367029.db2.gz	GFMFFBFTDPYOCY-LAUBAEHRSA-N	0	1	375.476	3.517	10	30		GHEEMN
C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCNC(=O)c1ccc2ccccc2c1	ZINC000329608732	835372290	/nfs/dbraw/zinc/37/22/90/835372290.db2.gz	BRXLOFQDCDALMX-UTKZUKDTSA-N	0	1	379.504	3.620	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1	ZINC000330317304	862867639	/nfs/dbraw/zinc/86/76/39/862867639.db2.gz	BMRSBMWFKITYOG-MJUUVYJYSA-N	0	1	387.572	3.618	10	30		GHEEMN
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCCC[C@@H]1Cc1ccccc1)CC2	ZINC000329457735	835072416	/nfs/dbraw/zinc/07/24/16/835072416.db2.gz	QRIAQOXQASQLDN-RTBURBONSA-N	0	1	381.524	3.728	10	30		GHEEMN
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCCC[C@H]1Cc1ccccc1)CC2	ZINC000329457732	835072466	/nfs/dbraw/zinc/07/24/66/835072466.db2.gz	QRIAQOXQASQLDN-MOPGFXCFSA-N	0	1	381.524	3.728	10	30		GHEEMN
O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@@]12CCOc1ccccc12	ZINC000329709063	835742307	/nfs/dbraw/zinc/74/23/07/835742307.db2.gz	LJPXCZDKSFSBKH-NZQKXSOJSA-N	0	1	377.488	3.743	10	30		GHEEMN
Cc1cnn([C@@H]2CCN(C(=O)N[C@H]3CCc4cc(Br)ccc43)C2)c1	ZINC000329743499	835852911	/nfs/dbraw/zinc/85/29/11/835852911.db2.gz	XHIDZLGOMNSVCF-WBVHZDCISA-N	0	1	389.297	3.802	10	30		GHEEMN
Cc1cccc(Cl)c1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330327224	862908350	/nfs/dbraw/zinc/90/83/50/862908350.db2.gz	KULISZRNUAUDLD-HNAYVOBHSA-N	0	1	389.931	3.942	10	30		GHEEMN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000247050109	891338412	/nfs/dbraw/zinc/33/84/12/891338412.db2.gz	ONHZGEVBQFTSMO-SIKLNZKXSA-N	0	1	378.520	3.690	10	30		GHEEMN
CC(C)c1nc2c(n1C)CCN(C([O-])=[NH+]CCc1ccc3ccccc3n1)C2	ZINC000329304178	861265125	/nfs/dbraw/zinc/26/51/25/861265125.db2.gz	XTGDLNFVHGBRAM-UHFFFAOYSA-N	0	1	377.492	3.607	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCN1C	ZINC000329045631	860973458	/nfs/dbraw/zinc/97/34/58/860973458.db2.gz	PQLJLKDOLBIJDI-NJYSJTHYSA-N	0	1	387.572	3.666	10	30		GHEEMN
COc1ccccc1CCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000104709372	885562879	/nfs/dbraw/zinc/56/28/79/885562879.db2.gz	ARKLRXZSUFKNIB-KRWDZBQOSA-N	0	1	383.467	3.644	10	30		GHEEMN
N#Cc1c[n-]c(C(=O)Nc2ccc(C3CC[NH2+]CC3)cc2C2=CCCCC2)n1	ZINC000029046735	207352588	/nfs/dbraw/zinc/35/25/88/207352588.db2.gz	XPCQXAQALLRVJQ-UHFFFAOYSA-N	0	1	375.476	3.958	10	30	in-vitro	GHEEMN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)c1	ZINC000102739745	525757700	/nfs/dbraw/zinc/75/77/00/525757700.db2.gz	ZVVBYNJYZRMWAY-FXBHHXAOSA-N	0	1	396.424	3.679	10	30		GHEEMN
C=CCC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC	ZINC000036103744	570540282	/nfs/dbraw/zinc/54/02/82/570540282.db2.gz	OUQNTQCSQNVZCP-IBGZPJMESA-N	0	1	399.487	3.762	10	30		GHEEMN
CC(=O)N[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)c1ccc(Cl)cc1	ZINC000329685330	835679302	/nfs/dbraw/zinc/67/93/02/835679302.db2.gz	ZWUFLXHEEOGSRI-MDASCCDHSA-N	0	1	377.916	3.833	10	30		GHEEMN
C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1cc(F)ccc1N1CCN(C)CC1	ZINC000328667650	854496988	/nfs/dbraw/zinc/49/69/88/854496988.db2.gz	KYRXKVWLDIICPI-DOTOQJQBSA-N	0	1	390.503	3.884	10	30		GHEEMN
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329262286	861217591	/nfs/dbraw/zinc/21/75/91/861217591.db2.gz	BDFWENLLXHMWDY-DOADOZAASA-N	0	1	389.588	3.864	10	30		GHEEMN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1	ZINC000330039955	862525188	/nfs/dbraw/zinc/52/51/88/862525188.db2.gz	BZXAYPXPSVAWJP-JEBQAFNWSA-N	0	1	381.436	3.514	10	30		GHEEMN
N#CCCN(C(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1	ZINC000247082099	891343922	/nfs/dbraw/zinc/34/39/22/891343922.db2.gz	QMPWZOWBYAPEBW-RTBURBONSA-N	0	1	383.517	3.583	10	30		GHEEMN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCc3ccc(F)cc3Cl)C2)n1	ZINC000329611931	861774126	/nfs/dbraw/zinc/77/41/26/861774126.db2.gz	CINUOEOEDXATQS-HNNXBMFYSA-N	0	1	393.894	3.556	10	30		GHEEMN
CN(C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCc2ccccc2C1	ZINC000329713931	862207546	/nfs/dbraw/zinc/20/75/46/862207546.db2.gz	SFFZJRRPSCQOCW-QRVBRYPASA-N	0	1	396.491	3.570	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCCCC23CCCC3)CCCN1C	ZINC000329815695	862341337	/nfs/dbraw/zinc/34/13/37/862341337.db2.gz	NXPWAOQVEGSNQT-YSIASYRMSA-N	0	1	387.572	3.810	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1C[C@@H](c3ccccc3)[C@H](C#N)C1)C2	ZINC000330190758	862649318	/nfs/dbraw/zinc/64/93/18/862649318.db2.gz	MPWXILFGOMGWQW-QYZOEREBSA-N	0	1	391.519	3.649	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCN1C	ZINC000329045632	860973865	/nfs/dbraw/zinc/97/38/65/860973865.db2.gz	PQLJLKDOLBIJDI-VDRZXAFZSA-N	0	1	387.572	3.666	10	30		GHEEMN
CC(=O)N[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)c1ccc(Cl)cc1	ZINC000329685331	835679395	/nfs/dbraw/zinc/67/93/95/835679395.db2.gz	ZWUFLXHEEOGSRI-ZOCIIQOWSA-N	0	1	377.916	3.833	10	30		GHEEMN
C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C[C@@H](C)O1	ZINC000329804730	862333114	/nfs/dbraw/zinc/33/31/14/862333114.db2.gz	MHDRSAIRAXJORG-IIDMSEBBSA-N	0	1	383.496	3.726	10	30		GHEEMN
C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C[C@@H](C)O1	ZINC000329804730	862333135	/nfs/dbraw/zinc/33/31/35/862333135.db2.gz	MHDRSAIRAXJORG-IIDMSEBBSA-N	0	1	383.496	3.726	10	30		GHEEMN
N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)o2)cc1	ZINC000246486644	857390021	/nfs/dbraw/zinc/39/00/21/857390021.db2.gz	GVRPPLLHDSLVRH-WOJBJXKFSA-N	0	1	392.434	3.835	10	30		GHEEMN
CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330340910	863022280	/nfs/dbraw/zinc/02/22/80/863022280.db2.gz	YOEFDOFPMZYKKL-ZIBCJSCZSA-N	0	1	389.588	3.864	10	30		GHEEMN
Cc1[nH]c2ccc(C(=O)NC[C@@H]3CCCN(C)[C@H]3c3ccnn3C)cc2c1C	ZINC000329029352	860958678	/nfs/dbraw/zinc/95/86/78/860958678.db2.gz	PDQXAOPNFKPNJX-LAUBAEHRSA-N	0	1	379.508	3.906	10	30		GHEEMN
C[C@H](NC(=O)CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)c1ccccc1	ZINC000329096078	861012598	/nfs/dbraw/zinc/01/25/98/861012598.db2.gz	BNVZTVQFGKVUHC-AZUAARDMSA-N	0	1	383.536	3.819	10	30		GHEEMN
C=CCOc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1	ZINC000116491600	886363898	/nfs/dbraw/zinc/36/38/98/886363898.db2.gz	FURYKSYRQRDHNU-UTKZUKDTSA-N	0	1	380.492	3.679	10	30		GHEEMN
O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1C[C@@]12CCOc1ccccc12	ZINC000329710549	835745976	/nfs/dbraw/zinc/74/59/76/835745976.db2.gz	MICJKWIXDVSKTG-NZQKXSOJSA-N	0	1	377.488	3.743	10	30		GHEEMN
Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CCC(=O)NC34CCC4)[nH]c2c1	ZINC000328721602	854504127	/nfs/dbraw/zinc/50/41/27/854504127.db2.gz	WZLMRIVYNDTPNL-IRXDYDNUSA-N	0	1	381.480	3.964	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1	ZINC000330317305	862868155	/nfs/dbraw/zinc/86/81/55/862868155.db2.gz	BMRSBMWFKITYOG-OYNPSCLESA-N	0	1	387.572	3.618	10	30		GHEEMN
CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])NC[C@@H]1CCO[C@H]1c1ccccc1)CC2	ZINC000329200581	861135604	/nfs/dbraw/zinc/13/56/04/861135604.db2.gz	VIQVDPGMJCDHCY-ZJOUEHCJSA-N	0	1	382.508	3.603	10	30		GHEEMN
CC(C)n1ncc2c1C[C@@H](NC([O-])=[NH+]C[C@@H]1CCO[C@H]1c1ccccc1)CC2	ZINC000329200581	861135610	/nfs/dbraw/zinc/13/56/10/861135610.db2.gz	VIQVDPGMJCDHCY-ZJOUEHCJSA-N	0	1	382.508	3.603	10	30		GHEEMN
N#CCSc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1	ZINC000176026051	882658511	/nfs/dbraw/zinc/65/85/11/882658511.db2.gz	GGBBVVWFZQIYLT-UHFFFAOYSA-N	0	1	383.492	3.836	10	30		GHEEMN
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000246786377	891307135	/nfs/dbraw/zinc/30/71/35/891307135.db2.gz	MBVOIUKSGGIYIX-QIJUGHKUSA-N	0	1	391.519	3.636	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000246786377	891307149	/nfs/dbraw/zinc/30/71/49/891307149.db2.gz	MBVOIUKSGGIYIX-QIJUGHKUSA-N	0	1	391.519	3.636	10	30		GHEEMN
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000116483720	873515036	/nfs/dbraw/zinc/51/50/36/873515036.db2.gz	OWPLXCBVIXPZHG-UWJYYQICSA-N	0	1	391.519	3.915	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000247057078	891339592	/nfs/dbraw/zinc/33/95/92/891339592.db2.gz	OWPLXCBVIXPZHG-DYESRHJHSA-N	0	1	391.519	3.915	10	30		GHEEMN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000247570190	891388674	/nfs/dbraw/zinc/38/86/74/891388674.db2.gz	WNAJKPIBVKJXMD-XMSQKQJNSA-N	0	1	396.510	3.829	10	30		GHEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	ZINC000247020083	836570811	/nfs/dbraw/zinc/57/08/11/836570811.db2.gz	XXHNFLGQCGQHIZ-JJXUHFIVSA-N	0	1	381.451	3.612	10	30		GHEEMN
CC(C)c1nc2n(n1)C[C@@H]([NH+]=C([O-])N(C)Cc1ccc3ccccc3c1)CC2	ZINC000329858531	835089361	/nfs/dbraw/zinc/08/93/61/835089361.db2.gz	WCLMODJVTWDLCZ-IBGZPJMESA-N	0	1	377.492	3.916	10	30		GHEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000247020110	836570763	/nfs/dbraw/zinc/57/07/63/836570763.db2.gz	XXHNFLGQCGQHIZ-MFMILTCTSA-N	0	1	381.451	3.612	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC3(CCC3)c3ccccc32)CCCN1C	ZINC000329490539	861535755	/nfs/dbraw/zinc/53/57/55/861535755.db2.gz	HXXJKRCMDZDMDX-LAUBAEHRSA-N	0	1	393.535	3.659	10	30		GHEEMN
C=CCCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br	ZINC000002479469	209170610	/nfs/dbraw/zinc/17/06/10/209170610.db2.gz	JTHZXBZQXNARSX-UHFFFAOYSA-N	0	1	377.267	3.540	10	30		GHEEMN
C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000329659207	835552700	/nfs/dbraw/zinc/55/27/00/835552700.db2.gz	NZJCZBOARWNYLO-CGVQKBNFSA-N	0	1	387.568	3.635	10	30		GHEEMN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116568899	886367470	/nfs/dbraw/zinc/36/74/70/886367470.db2.gz	WNAJKPIBVKJXMD-AVRDEDQJSA-N	0	1	396.510	3.829	10	30		GHEEMN
COc1cc(OC)c(C=NNc2ccccc2[N+](=O)[O-])cc1Br	ZINC000033391127	522787489	/nfs/dbraw/zinc/78/74/89/522787489.db2.gz	WREYZRFGAJTTHT-MFOYZWKCSA-N	0	1	380.198	3.821	10	30		GHEEMN
C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000329262284	861218337	/nfs/dbraw/zinc/21/83/37/861218337.db2.gz	BDFWENLLXHMWDY-AJYBTWMASA-N	0	1	389.588	3.864	10	30		GHEEMN
Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H]3CCC(=O)NC34CCC4)[nH]c2c1	ZINC000328721601	854503972	/nfs/dbraw/zinc/50/39/72/854503972.db2.gz	WZLMRIVYNDTPNL-DLBZAZTESA-N	0	1	381.480	3.964	10	30		GHEEMN
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC(c2nccs2)CC1	ZINC000328774919	854536576	/nfs/dbraw/zinc/53/65/76/854536576.db2.gz	SFTBZSFRUUDDOM-CQSZACIVSA-N	0	1	387.505	3.987	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)NC1CCC(C)(C)CC1	ZINC000329061533	860985402	/nfs/dbraw/zinc/98/54/02/860985402.db2.gz	NQYLYUDSLVNDED-QFBILLFUSA-N	0	1	375.561	3.618	10	30		GHEEMN
Cc1cnn(CC2CCN([C@H](C)C(=O)N[C@H]3CCOc4ccccc43)CC2)c1	ZINC000329185284	861114080	/nfs/dbraw/zinc/11/40/80/861114080.db2.gz	QCCYUVTXDKYIRE-XLIONFOSSA-N	0	1	382.508	3.772	10	30		GHEEMN
CN1CCC(N(c2ccccc2)S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000191949856	891727091	/nfs/dbraw/zinc/72/70/91/891727091.db2.gz	PJBVGXGVHADAIP-UHFFFAOYSA-N	0	1	389.908	3.501	10	30		GHEEMN
C=CCOc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1	ZINC000116491602	886363342	/nfs/dbraw/zinc/36/33/42/886363342.db2.gz	FURYKSYRQRDHNU-UWJYYQICSA-N	0	1	380.492	3.679	10	30		GHEEMN
C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)[C@@H]1CCCO1	ZINC000329578893	835283327	/nfs/dbraw/zinc/28/33/27/835283327.db2.gz	UAUQVQOSHUJJCD-XIRDDKMYSA-N	0	1	375.517	3.513	10	30		GHEEMN
N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)c2)cc1	ZINC000181362780	838000777	/nfs/dbraw/zinc/00/07/77/838000777.db2.gz	SLWUGAXVPBCPRV-FQEVSTJZSA-N	0	1	387.443	3.623	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000116483718	873515058	/nfs/dbraw/zinc/51/50/58/873515058.db2.gz	OWPLXCBVIXPZHG-UTKZUKDTSA-N	0	1	391.519	3.915	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCc3[nH]c4ccccc4c3C1)C2	ZINC000329300285	834795256	/nfs/dbraw/zinc/79/52/56/834795256.db2.gz	VILIJMSNAMBEFN-HNNXBMFYSA-N	0	1	391.519	3.949	10	30		GHEEMN
N#Cc1ccccc1C=CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1	ZINC000588392268	840370812	/nfs/dbraw/zinc/37/08/12/840370812.db2.gz	SHZHNJKIMLKAPN-GHYICZDASA-N	0	1	383.455	3.763	10	30		GHEEMN
O=C([O-])c1cc(N[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000006547974	526347639	/nfs/dbraw/zinc/34/76/39/526347639.db2.gz	AMKSKSWNAPABNG-RGVLZGJSSA-N	0	1	388.811	3.993	10	30		GHEEMN
CN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C1CCC(C)(C)CC1	ZINC000329487680	861521113	/nfs/dbraw/zinc/52/11/13/861521113.db2.gz	GTDSKIXTPBEOAG-QFBILLFUSA-N	0	1	375.561	3.618	10	30		GHEEMN
COc1ccccc1[C@H]1CCC[C@@H](C)N1CC(=O)N1CCC[C@H](NC(C)=O)C1	ZINC000329033329	860963551	/nfs/dbraw/zinc/96/35/51/860963551.db2.gz	BQOAIWWGZAGWCO-IMFGXOCKSA-N	0	1	387.524	3.578	10	30		GHEEMN
C[C@H](NC(=O)CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)c1ccccc1	ZINC000329096079	861013273	/nfs/dbraw/zinc/01/32/73/861013273.db2.gz	BNVZTVQFGKVUHC-ICSRJNTNSA-N	0	1	383.536	3.819	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@H]1CCCOc3ccccc31)C2	ZINC000329189848	861117192	/nfs/dbraw/zinc/11/71/92/861117192.db2.gz	CEZMKBKVXJUDOC-RDJZCZTQSA-N	0	1	382.508	3.913	10	30		GHEEMN
Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1	ZINC000329205837	861138790	/nfs/dbraw/zinc/13/87/90/861138790.db2.gz	ZJQJBHCQHLOTIR-WEWRAIFCSA-N	0	1	385.556	3.532	10	30		GHEEMN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000116569177	886367059	/nfs/dbraw/zinc/36/70/59/886367059.db2.gz	MHIOALZPXBONOD-OFNKIYASSA-N	0	1	392.547	3.732	10	30		GHEEMN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000096336089	521269338	/nfs/dbraw/zinc/26/93/38/521269338.db2.gz	ZEJWPVJSUWIQSI-INIZCTEOSA-N	0	1	396.424	3.918	10	30		GHEEMN
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000246786517	857461959	/nfs/dbraw/zinc/46/19/59/857461959.db2.gz	AAQRWKAYLNZCIF-AUUYWEPGSA-N	0	1	383.883	3.639	10	30		GHEEMN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000246786517	857461963	/nfs/dbraw/zinc/46/19/63/857461963.db2.gz	AAQRWKAYLNZCIF-AUUYWEPGSA-N	0	1	383.883	3.639	10	30		GHEEMN
CCc1nc([NH+]=C([O-])NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)sc1C	ZINC000330344531	863027221	/nfs/dbraw/zinc/02/72/21/863027221.db2.gz	DATXASUOLICPEA-SNVBAGLBSA-N	0	1	387.431	3.818	10	30		GHEEMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1	ZINC000103228973	523369833	/nfs/dbraw/zinc/36/98/33/523369833.db2.gz	IBOLRUMRWXPPKV-LYHOESIGSA-N	0	1	395.436	3.972	10	30		GHEEMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3ccc(F)cc3)cc2)n1	ZINC000100042184	524591173	/nfs/dbraw/zinc/59/11/73/524591173.db2.gz	MRHYFGTWAZTBIP-CIAFOILYSA-N	0	1	384.436	3.784	10	30		GHEEMN
CCc1nc([NH+]=C([O-])NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)sc1C	ZINC000330344530	863027863	/nfs/dbraw/zinc/02/78/63/863027863.db2.gz	DATXASUOLICPEA-JTQLQIEISA-N	0	1	387.431	3.818	10	30		GHEEMN
CCN(CC)c1ccc(/C=N\[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1	ZINC000588577747	834566372	/nfs/dbraw/zinc/56/63/72/834566372.db2.gz	IVPRROFCHLGWSV-DEYGKZMTSA-N	0	1	383.467	3.598	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCC(c3ccc(O)cc3)CC1)C2	ZINC000329287507	861248367	/nfs/dbraw/zinc/24/83/67/861248367.db2.gz	PRSNJPFABDTMAC-GOSISDBHSA-N	0	1	396.535	3.995	10	30		GHEEMN
CN1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCc3ccccc32)CC1	ZINC000329028426	845645413	/nfs/dbraw/zinc/64/54/13/845645413.db2.gz	AELCRLGVPJULTQ-IBGZPJMESA-N	0	1	377.488	3.782	10	30		GHEEMN
Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)n[nH]1	ZINC000328744067	854525207	/nfs/dbraw/zinc/52/52/07/854525207.db2.gz	ORIBHZQLZVYCFC-RTWAWAEBSA-N	0	1	395.551	3.866	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CCCc2ccccc21	ZINC000330329137	862911767	/nfs/dbraw/zinc/91/17/67/862911767.db2.gz	MHWGQYWWWMJJPX-YUXAGFNASA-N	0	1	395.551	3.726	10	30		GHEEMN
COc1ccc(CN2CCC(Nc3nccs3)CC2)cc1OCCCC#N	ZINC000189958825	884027999	/nfs/dbraw/zinc/02/79/99/884027999.db2.gz	UNULIJQCCGGSID-UHFFFAOYSA-N	0	1	386.521	3.911	10	30		GHEEMN
Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1cccs1)O2	ZINC000094993323	525319624	/nfs/dbraw/zinc/31/96/24/525319624.db2.gz	DZPWUDBOOBGVHN-MYDYOQDRSA-N	0	1	385.485	3.988	10	30		GHEEMN
C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1cc(F)ccc1N1CCN(C)CC1	ZINC000328774673	854536189	/nfs/dbraw/zinc/53/61/89/854536189.db2.gz	KKDLQMURYJXDBJ-JKSUJKDBSA-N	0	1	390.503	3.742	10	30		GHEEMN
C[C@@H]1CC(CNC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)C[C@@H](C)O1	ZINC000329793663	862324888	/nfs/dbraw/zinc/32/48/88/862324888.db2.gz	BIHVUYIPYLYFDO-MDZRGWNJSA-N	0	1	397.523	3.769	10	30		GHEEMN
Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C	ZINC000328810115	854544135	/nfs/dbraw/zinc/54/41/35/854544135.db2.gz	MGPRVGPXMLCJRM-LAUBAEHRSA-N	0	1	395.551	3.944	10	30		GHEEMN
CC[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cccs1	ZINC000330320409	862901289	/nfs/dbraw/zinc/90/12/89/862901289.db2.gz	FBMOQBVPSMZPHS-KVSKMBFKSA-N	0	1	389.569	3.862	10	30		GHEEMN
COc1ccccc1CCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000104709376	885563123	/nfs/dbraw/zinc/56/31/23/885563123.db2.gz	ARKLRXZSUFKNIB-QGZVFWFLSA-N	0	1	383.467	3.644	10	30		GHEEMN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000247570181	891387264	/nfs/dbraw/zinc/38/72/64/891387264.db2.gz	WNAJKPIBVKJXMD-PGRDOPGGSA-N	0	1	396.510	3.829	10	30		GHEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000247020138	836570589	/nfs/dbraw/zinc/57/05/89/836570589.db2.gz	XXHNFLGQCGQHIZ-QFIXIFRTSA-N	0	1	381.451	3.612	10	30		GHEEMN
Cc1ccccc1[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330282254	862721387	/nfs/dbraw/zinc/72/13/87/862721387.db2.gz	AMQOIALSJIRZML-BBTUJRGHSA-N	0	1	383.540	3.718	10	30		GHEEMN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)c1	ZINC000102739748	525758462	/nfs/dbraw/zinc/75/84/62/525758462.db2.gz	ZVVBYNJYZRMWAY-HMNTXPNISA-N	0	1	396.424	3.679	10	30		GHEEMN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1	ZINC000328707746	839049225	/nfs/dbraw/zinc/04/92/25/839049225.db2.gz	QDTFHXSOTMTISX-HZPDHXFCSA-N	0	1	394.479	3.564	10	30		GHEEMN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1	ZINC000328707746	839049236	/nfs/dbraw/zinc/04/92/36/839049236.db2.gz	QDTFHXSOTMTISX-HZPDHXFCSA-N	0	1	394.479	3.564	10	30		GHEEMN
CC(C)(C)C1=CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1	ZINC000330089604	839363198	/nfs/dbraw/zinc/36/31/98/839363198.db2.gz	OWILKGFLMRANTJ-KRWDZBQOSA-N	0	1	389.565	3.987	10	30		GHEEMN
C[C@@H]1CC(CNC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C[C@@H](C)O1	ZINC000329816026	862341444	/nfs/dbraw/zinc/34/14/44/862341444.db2.gz	VPHDHTYJHQCCOD-NFAWXSAZSA-N	0	1	388.434	3.656	10	30		GHEEMN
C[C@@H](C(=O)NC1CCCC1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000330187703	862646602	/nfs/dbraw/zinc/64/66/02/862646602.db2.gz	TZERBXLJFHRHHD-LBUQITIBSA-N	0	1	395.507	3.773	10	30		GHEEMN
N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1	ZINC000181369130	906984361	/nfs/dbraw/zinc/98/43/61/906984361.db2.gz	CRHLQZBJAGODGB-LJQANCHMSA-N	0	1	387.443	3.623	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCc3[nH]c4ccccc4c3C1)C2	ZINC000329300287	834795218	/nfs/dbraw/zinc/79/52/18/834795218.db2.gz	VILIJMSNAMBEFN-OAHLLOKOSA-N	0	1	391.519	3.949	10	30		GHEEMN
Cc1ccccc1[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330282255	862721065	/nfs/dbraw/zinc/72/10/65/862721065.db2.gz	AMQOIALSJIRZML-LVCYWYKZSA-N	0	1	383.540	3.718	10	30		GHEEMN
CCOC(=O)Nc1ccc(NC2CCN(Cc3cccnc3)CC2)cc1C#N	ZINC000180745292	837513537	/nfs/dbraw/zinc/51/35/37/837513537.db2.gz	MIXHJJCNUQSJND-UHFFFAOYSA-N	0	1	379.464	3.598	10	30		GHEEMN
N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3c3nnc[nH]3)c2)cc1	ZINC000181362764	838000793	/nfs/dbraw/zinc/00/07/93/838000793.db2.gz	SLWUGAXVPBCPRV-HXUWFJFHSA-N	0	1	387.443	3.623	10	30		GHEEMN
Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1	ZINC000330324711	862907425	/nfs/dbraw/zinc/90/74/25/862907425.db2.gz	IRNSEGLZMPEOGV-SLYNCCJLSA-N	0	1	383.540	3.718	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNc2ccc(Br)cc2C#N)CCCN1C	ZINC000328943005	860262037	/nfs/dbraw/zinc/26/20/37/860262037.db2.gz	LMQILEFVLVMQGE-SCLBCKFNSA-N	0	1	388.313	3.549	10	30		GHEEMN
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCC(C)(C)C1	ZINC000329211477	861150038	/nfs/dbraw/zinc/15/00/38/861150038.db2.gz	ZGHHVVJXUPVYOQ-JENIJYKNSA-N	0	1	375.561	3.618	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCC(C)(C)C1	ZINC000329211477	861150045	/nfs/dbraw/zinc/15/00/45/861150045.db2.gz	ZGHHVVJXUPVYOQ-JENIJYKNSA-N	0	1	375.561	3.618	10	30		GHEEMN
CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)C1	ZINC000329687151	835686050	/nfs/dbraw/zinc/68/60/50/835686050.db2.gz	VBCPHRZPZDNPPR-DLBZAZTESA-N	0	1	398.555	3.505	10	30		GHEEMN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(c2cccc3ccccc32)CC1	ZINC000329464262	861478166	/nfs/dbraw/zinc/47/81/66/861478166.db2.gz	UOYPPDFYNATDHG-GOSISDBHSA-N	0	1	375.476	3.540	10	30		GHEEMN
CC[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cccs1	ZINC000330320410	862901404	/nfs/dbraw/zinc/90/14/04/862901404.db2.gz	FBMOQBVPSMZPHS-VDZJLULYSA-N	0	1	389.569	3.862	10	30		GHEEMN
CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000330334013	862977188	/nfs/dbraw/zinc/97/71/88/862977188.db2.gz	QFECSLJWKZGCNZ-PIKOESSRSA-N	0	1	375.561	3.618	10	30		GHEEMN
Cc1cc(Cl)c2ncc(C#N)c(N3CCC(N4CCO[C@H](C)C4)CC3)c2c1	ZINC000407987184	838403625	/nfs/dbraw/zinc/40/36/25/838403625.db2.gz	WWIUFSKVFAFUEG-OAHLLOKOSA-N	0	1	384.911	3.758	10	30		GHEEMN
CN(C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCc2ccccc2C1	ZINC000329713930	862207818	/nfs/dbraw/zinc/20/78/18/862207818.db2.gz	SFFZJRRPSCQOCW-OTWHNJEPSA-N	0	1	396.491	3.570	10	30		GHEEMN
CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1	ZINC000328992535	854644241	/nfs/dbraw/zinc/64/42/41/854644241.db2.gz	FURKMRBELVQLIK-BPQIPLTHSA-N	0	1	383.496	3.503	10	30		GHEEMN
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000246786535	857461895	/nfs/dbraw/zinc/46/18/95/857461895.db2.gz	AAQRWKAYLNZCIF-IFXJQAMLSA-N	0	1	383.883	3.639	10	30		GHEEMN
C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000246786535	857461898	/nfs/dbraw/zinc/46/18/98/857461898.db2.gz	AAQRWKAYLNZCIF-IFXJQAMLSA-N	0	1	383.883	3.639	10	30		GHEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)Nc1cccc2c1CCCC2	ZINC000330338403	862987796	/nfs/dbraw/zinc/98/77/96/862987796.db2.gz	VIZMMRSSVPSVSV-PGRDOPGGSA-N	0	1	395.551	3.859	10	30		GHEEMN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1	ZINC000328707751	839049622	/nfs/dbraw/zinc/04/96/22/839049622.db2.gz	QDTFHXSOTMTISX-JKSUJKDBSA-N	0	1	394.479	3.564	10	30		GHEEMN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1	ZINC000328707751	839049628	/nfs/dbraw/zinc/04/96/28/839049628.db2.gz	QDTFHXSOTMTISX-JKSUJKDBSA-N	0	1	394.479	3.564	10	30		GHEEMN
Cc1nc([C@@H](NCc2cccn2Cc2ccccc2C#N)c2ccccc2)n[nH]1	ZINC000187813036	848305137	/nfs/dbraw/zinc/30/51/37/848305137.db2.gz	CZDCUMHGEYDKIO-QFIPXVFZSA-N	0	1	382.471	3.714	10	30		GHEEMN
Cn1nccc1[C@H]1[C@H](CNc2cccc(Br)c2C#N)CCCN1C	ZINC000329723634	860421441	/nfs/dbraw/zinc/42/14/41/860421441.db2.gz	NSJLKBAGGOATCA-SCLBCKFNSA-N	0	1	388.313	3.549	10	30		GHEEMN
Clc1ccc(Cn2cc(CN=Nc3nn[nH]n3)c3ccccc32)c(Cl)c1	ZINC000033676172	526954350	/nfs/dbraw/zinc/95/43/50/526954350.db2.gz	OHEUOIGEXRYWIW-DNTJNYDQSA-N	0	1	386.246	3.956	10	30		GHEEMN
CC(C)(CNC(=O)N1CCC(c2nccs2)CC1)c1ccc2c(c1)OCO2	ZINC000328745526	839748657	/nfs/dbraw/zinc/74/86/57/839748657.db2.gz	KXTCQDQUSXEJAL-UHFFFAOYSA-N	0	1	387.505	3.943	10	30		GHEEMN
COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1	ZINC000100042315	525774584	/nfs/dbraw/zinc/77/45/84/525774584.db2.gz	MQWLEHXOFWDINU-FYJGNVAPSA-N	0	1	396.472	3.653	10	30		GHEEMN
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)Cc1ccc3ccccc3c1)CC2	ZINC000329858532	835089209	/nfs/dbraw/zinc/08/92/09/835089209.db2.gz	WCLMODJVTWDLCZ-LJQANCHMSA-N	0	1	377.492	3.916	10	30		GHEEMN
N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)c2)c1	ZINC000181193088	837868379	/nfs/dbraw/zinc/86/83/79/837868379.db2.gz	YPSWDVRNWLQWSG-FQEVSTJZSA-N	0	1	387.443	3.623	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCC(c3ccc(O)cc3)CC1)C2	ZINC000329287508	861247647	/nfs/dbraw/zinc/24/76/47/861247647.db2.gz	PRSNJPFABDTMAC-SFHVURJKSA-N	0	1	396.535	3.995	10	30		GHEEMN
C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1cc(F)ccc1N1CCN(C)CC1	ZINC000328667651	854496481	/nfs/dbraw/zinc/49/64/81/854496481.db2.gz	KYRXKVWLDIICPI-RDJZCZTQSA-N	0	1	390.503	3.884	10	30		GHEEMN
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC(c2nccs2)CC1	ZINC000328774918	854536308	/nfs/dbraw/zinc/53/63/08/854536308.db2.gz	SFTBZSFRUUDDOM-AWEZNQCLSA-N	0	1	387.505	3.987	10	30		GHEEMN
Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C	ZINC000328810113	854544384	/nfs/dbraw/zinc/54/43/84/854544384.db2.gz	MGPRVGPXMLCJRM-DYESRHJHSA-N	0	1	395.551	3.944	10	30		GHEEMN
N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)o2)cc1	ZINC000246486621	857389807	/nfs/dbraw/zinc/38/98/07/857389807.db2.gz	GVRPPLLHDSLVRH-VQTJNVASSA-N	0	1	392.434	3.835	10	30		GHEEMN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116569180	886367143	/nfs/dbraw/zinc/36/71/43/886367143.db2.gz	MHIOALZPXBONOD-REWPJTCUSA-N	0	1	392.547	3.732	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCCN(c3ccccc3)CC1)C2	ZINC000329268687	834680729	/nfs/dbraw/zinc/68/07/29/834680729.db2.gz	IELYDDQMMQJWTD-GOSISDBHSA-N	0	1	395.551	3.622	10	30		GHEEMN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1	ZINC000330039954	862525602	/nfs/dbraw/zinc/52/56/02/862525602.db2.gz	BZXAYPXPSVAWJP-FSPWUOQZSA-N	0	1	381.436	3.514	10	30		GHEEMN
CCc1csc([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc(C)nc43)C2)n1	ZINC000328735429	854542229	/nfs/dbraw/zinc/54/22/29/854542229.db2.gz	ZBLVXMFNVKUOAQ-JKSUJKDBSA-N	0	1	387.553	3.881	10	30		GHEEMN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1	ZINC000103228969	523371667	/nfs/dbraw/zinc/37/16/67/523371667.db2.gz	IBOLRUMRWXPPKV-VZCCSQPZSA-N	0	1	395.436	3.972	10	30		GHEEMN
Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1cccs1)O2	ZINC000094993324	525319247	/nfs/dbraw/zinc/31/92/47/525319247.db2.gz	DZPWUDBOOBGVHN-JAEYLYOOSA-N	0	1	385.485	3.988	10	30		GHEEMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@@H]1CCCC[C@H]1C(F)(F)F)CC2	ZINC000329512157	835172776	/nfs/dbraw/zinc/17/27/76/835172776.db2.gz	NKESYVGZQATYQR-BFHYXJOUSA-N	0	1	387.450	3.589	10	30		GHEEMN
CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)CC2	ZINC000329512157	835172779	/nfs/dbraw/zinc/17/27/79/835172779.db2.gz	NKESYVGZQATYQR-BFHYXJOUSA-N	0	1	387.450	3.589	10	30		GHEEMN
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2	ZINC000329512158	835172847	/nfs/dbraw/zinc/17/28/47/835172847.db2.gz	NKESYVGZQATYQR-MJBXVCDLSA-N	0	1	387.450	3.589	10	30		GHEEMN
CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2	ZINC000329512158	835172849	/nfs/dbraw/zinc/17/28/49/835172849.db2.gz	NKESYVGZQATYQR-MJBXVCDLSA-N	0	1	387.450	3.589	10	30		GHEEMN
CCOc1ccccc1[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)NC(C)=O	ZINC000329629806	835467222	/nfs/dbraw/zinc/46/72/22/835467222.db2.gz	HSHGEURVIJGEHZ-KPFFTGBYSA-N	0	1	387.524	3.578	10	30		GHEEMN
C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)cc2)C[C@H](C)O1	ZINC000329243601	861194671	/nfs/dbraw/zinc/19/46/71/861194671.db2.gz	PFUXLCLVYZXFQU-QKLQHJQFSA-N	0	1	387.524	3.899	10	30		GHEEMN
C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)cc2)C[C@@H](C)O1	ZINC000329243599	861194752	/nfs/dbraw/zinc/19/47/52/861194752.db2.gz	PFUXLCLVYZXFQU-HLIPFELVSA-N	0	1	387.524	3.899	10	30		GHEEMN
Cc1nc([C@H](NCc2cccn2Cc2ccccc2C#N)c2ccccc2)n[nH]1	ZINC000187813018	848304675	/nfs/dbraw/zinc/30/46/75/848304675.db2.gz	CZDCUMHGEYDKIO-JOCHJYFZSA-N	0	1	382.471	3.714	10	30		GHEEMN
CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1C[C@@H](c3ccccc3)[C@H](C#N)C1)C2	ZINC000330190757	862649269	/nfs/dbraw/zinc/64/92/69/862649269.db2.gz	MPWXILFGOMGWQW-QRVBRYPASA-N	0	1	391.519	3.649	10	30		GHEEMN
COc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c(OC)c1OC	ZINC000001307852	212235194	/nfs/dbraw/zinc/23/51/94/212235194.db2.gz	JUKOWADVHYLTFF-ODLFYWEKSA-N	0	1	376.482	3.896	10	30		GHEEMN