smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000738138353	945249779	/nfs/dbraw/zinc/24/97/79/945249779.db2.gz	ZQKQHFLKFGPRNA-CYBMUJFWSA-N	1	0	386.460	0.994	20	50		GCGDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000735881939	944708785	/nfs/dbraw/zinc/70/87/85/944708785.db2.gz	LZEKYIOVAAQPIH-ZDUSSCGKSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000736263970	944781618	/nfs/dbraw/zinc/78/16/18/944781618.db2.gz	AFPOGEBDCIZKDX-QWHCGFSZSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264007	944781812	/nfs/dbraw/zinc/78/18/12/944781812.db2.gz	AWJRIHUTUKYFFR-STQMWFEESA-N	1	0	386.460	0.931	20	50		GCGDRO
CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736322926	944802155	/nfs/dbraw/zinc/80/21/55/944802155.db2.gz	RHVXUTJAALYAAX-LBPRGKRZSA-N	1	0	390.448	0.306	20	50		GCGDRO
CC[NH+]1CCN(CCNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000736570581	944846125	/nfs/dbraw/zinc/84/61/25/944846125.db2.gz	ZEBNOZQLNKMOIA-LFIBNONCSA-N	1	0	397.487	0.174	20	50		GCGDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007329	944930564	/nfs/dbraw/zinc/93/05/64/944930564.db2.gz	LUSWVEZASWJZCP-QOBZYLRHSA-N	1	0	398.471	0.648	20	50		GCGDRO
COCC[N@@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006364	944931889	/nfs/dbraw/zinc/93/18/89/944931889.db2.gz	GZWXJKBBVFVCFA-TYWAAFNRSA-N	1	0	398.471	0.648	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213718	945005079	/nfs/dbraw/zinc/00/50/79/945005079.db2.gz	WDYFGMNSXKNCCZ-BPKVKKHESA-N	1	0	397.487	0.173	20	50		GCGDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	ZINC000820261003	945398915	/nfs/dbraw/zinc/39/89/15/945398915.db2.gz	LBLZMVPVWOTUTD-CYBMUJFWSA-N	1	0	383.456	0.992	20	50		GCGDRO
CC[NH+](CC)[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821180790	945649588	/nfs/dbraw/zinc/64/95/88/945649588.db2.gz	HIASBJVTMYAKSQ-HNNXBMFYSA-N	1	0	386.460	0.044	20	50		GCGDRO
CC[NH+](CC)CCSCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821196984	945650513	/nfs/dbraw/zinc/65/05/13/945650513.db2.gz	DNUANYYWGAPEPZ-UHFFFAOYSA-N	1	0	377.474	0.703	20	50		GCGDRO
CCN1CC[NH+](C[C@H](C)CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000821268064	945661150	/nfs/dbraw/zinc/66/11/50/945661150.db2.gz	SBIHPLDJTMXDRV-CQSZACIVSA-N	1	0	387.492	0.766	20	50		GCGDRO
CC[NH+]1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1	ZINC000821268353	945662971	/nfs/dbraw/zinc/66/29/71/945662971.db2.gz	VINOQIMWYWBZPN-UHFFFAOYSA-N	1	0	398.393	0.966	20	50		GCGDRO
C[NH+](C)[C@]1(CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCSC1	ZINC000821581629	945723871	/nfs/dbraw/zinc/72/38/71/945723871.db2.gz	QUMPBARJOQFWFJ-INIZCTEOSA-N	1	0	390.473	0.248	20	50		GCGDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000822860135	946206162	/nfs/dbraw/zinc/20/61/62/946206162.db2.gz	NSRBFRAICYUCCF-CYBMUJFWSA-N	1	0	387.448	0.080	20	50		GCGDRO
C[N@@H+]1CCCC12CCN(CC(=O)NNC(=O)c1cccc(-c3nn[nH]n3)c1)CC2	ZINC000826033441	947413988	/nfs/dbraw/zinc/41/39/88/947413988.db2.gz	DECJXMOIAVYYOO-UHFFFAOYSA-N	1	0	398.471	0.188	20	50		GCGDRO
CS[C@@H]1CCCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826227077	607475244	/nfs/dbraw/zinc/47/52/44/607475244.db2.gz	LHRWWJMPWRECSO-CQSZACIVSA-N	1	0	389.485	0.845	20	50		GCGDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460516	607716976	/nfs/dbraw/zinc/71/69/76/607716976.db2.gz	ZOMJPVKEYMNQDL-ZBFHGGJFSA-N	1	0	398.471	0.643	20	50		GCGDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460513	607717336	/nfs/dbraw/zinc/71/73/36/607717336.db2.gz	ZOMJPVKEYMNQDL-GDBMZVCRSA-N	1	0	398.471	0.643	20	50		GCGDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824261126	607757457	/nfs/dbraw/zinc/75/74/57/607757457.db2.gz	BDZHEKUEDUPPMC-OAHLLOKOSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@]1([NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO[C@@H]1C1CC1	ZINC000824836776	608133468	/nfs/dbraw/zinc/13/34/68/608133468.db2.gz	CVVFAZJYXYANNJ-QAPCUYQASA-N	1	0	385.428	0.175	20	50		GCGDRO
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](CC2CC2)CC1	ZINC000738137228	945241629	/nfs/dbraw/zinc/24/16/29/945241629.db2.gz	SGGMOHRXTPFWOS-UHFFFAOYSA-N	1	0	384.444	0.685	20	50		GCGDRO
C[C@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CC1	ZINC000736017438	944732654	/nfs/dbraw/zinc/73/26/54/944732654.db2.gz	NNTYYXDDURWAJJ-LLVKDONJSA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCCCC1	ZINC000736017119	944733728	/nfs/dbraw/zinc/73/37/28/944733728.db2.gz	IIOQVMZHYZMMSF-CYBMUJFWSA-N	1	0	386.460	0.933	20	50		GCGDRO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295460	944790220	/nfs/dbraw/zinc/79/02/20/944790220.db2.gz	UZZHTLKDLWGUGO-SWLSCSKDSA-N	1	0	384.444	0.780	20	50		GCGDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736322925	944801130	/nfs/dbraw/zinc/80/11/30/944801130.db2.gz	RHVXUTJAALYAAX-GFCCVEGCSA-N	1	0	390.448	0.306	20	50		GCGDRO
C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859949	944900114	/nfs/dbraw/zinc/90/01/14/944900114.db2.gz	KNUWJVKKAIRBIQ-LSDHHAIUSA-N	1	0	384.444	0.780	20	50		GCGDRO
C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859908	944901067	/nfs/dbraw/zinc/90/10/67/944901067.db2.gz	KAVAIXHOKUIDBB-GJZGRUSLSA-N	1	0	384.444	0.780	20	50		GCGDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006363	944931258	/nfs/dbraw/zinc/93/12/58/944931258.db2.gz	GZWXJKBBVFVCFA-QOBZYLRHSA-N	1	0	398.471	0.648	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737211223	944984463	/nfs/dbraw/zinc/98/44/63/944984463.db2.gz	BHYXQCFLGSOSJY-LULHVWEPSA-N	1	0	384.444	0.210	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211853	944988321	/nfs/dbraw/zinc/98/83/21/944988321.db2.gz	GGWHNROVHKVLAJ-KOBNLHKSSA-N	1	0	396.455	0.400	20	50		GCGDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821087489	945631489	/nfs/dbraw/zinc/63/14/89/945631489.db2.gz	BTPMIPJHSFVWPY-CYBMUJFWSA-N	1	0	386.460	0.885	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21	ZINC000821625725	945755200	/nfs/dbraw/zinc/75/52/00/945755200.db2.gz	USYCBISTRHDNPX-CVEARBPZSA-N	1	0	398.471	0.044	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(-c2nn[nH]n2)n1C	ZINC000822027591	945933939	/nfs/dbraw/zinc/93/39/39/945933939.db2.gz	IOPWQGYTWLSFTI-AHQMPEJBSA-N	1	0	398.471	0.384	20	50		GCGDRO
O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996175	946255392	/nfs/dbraw/zinc/25/53/92/946255392.db2.gz	AITXNTVRPAHGRF-MRXNPFEDSA-N	1	0	398.471	0.188	20	50		GCGDRO
C[C@H]1C[C@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C	ZINC000824884092	946971881	/nfs/dbraw/zinc/97/18/81/946971881.db2.gz	LJEQXRFKWFVQPA-SWLSCSKDSA-N	1	0	386.460	0.042	20	50		GCGDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458312	607343135	/nfs/dbraw/zinc/34/31/35/607343135.db2.gz	CBALWQZAJXAFPN-HOCLYGCPSA-N	1	0	398.471	0.643	20	50		GCGDRO
CS[C@H]1CCCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826227078	607475282	/nfs/dbraw/zinc/47/52/82/607475282.db2.gz	LIXJOGGCUONKNT-AWEZNQCLSA-N	1	0	389.485	0.845	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410271	607527735	/nfs/dbraw/zinc/52/77/35/607527735.db2.gz	ISXQFYQOHNSONB-CVEARBPZSA-N	1	0	399.455	0.376	20	50		GCGDRO
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826407562	607724891	/nfs/dbraw/zinc/72/48/91/607724891.db2.gz	SJYJFWZJJHLAQQ-UHFFFAOYSA-N	1	0	393.455	0.917	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000823281125	607212427	/nfs/dbraw/zinc/21/24/27/607212427.db2.gz	MMNYSDQSGWHTHT-JKSUJKDBSA-N	1	0	386.460	0.871	20	50		GCGDRO
C[NH+]1CCC([C@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1	ZINC000826022320	607912032	/nfs/dbraw/zinc/91/20/32/607912032.db2.gz	JOHNCVAAIKAIMQ-INIZCTEOSA-N	1	0	398.471	0.885	20	50		GCGDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1	ZINC000826022321	607912153	/nfs/dbraw/zinc/91/21/53/607912153.db2.gz	JOHNCVAAIKAIMQ-MRXNPFEDSA-N	1	0	398.471	0.885	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410808	607924589	/nfs/dbraw/zinc/92/45/89/607924589.db2.gz	ZENRJJBPQXYSAX-HUUCEWRRSA-N	1	0	385.428	0.129	20	50		GCGDRO
CSCC[C@@H](C)[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228518	607925568	/nfs/dbraw/zinc/92/55/68/607925568.db2.gz	RMLKQICBWZOQLI-LLVKDONJSA-N	1	0	377.474	0.701	20	50		GCGDRO
O=C(C[N@@H+](CCO)C1CCCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409669	607941676	/nfs/dbraw/zinc/94/16/76/607941676.db2.gz	JYYVHOYLQHSFIL-UHFFFAOYSA-N	1	0	387.444	0.255	20	50		GCGDRO
COc1cccc([C@@H](C)[NH2+]CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000826214639	608432373	/nfs/dbraw/zinc/43/23/73/608432373.db2.gz	RZOQUQRRASIWRL-GFCCVEGCSA-N	1	0	395.423	0.987	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564898	608462446	/nfs/dbraw/zinc/46/24/46/608462446.db2.gz	XWYXXKCMJLKDBX-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000820091815	945351058	/nfs/dbraw/zinc/35/10/58/945351058.db2.gz	AWZQQFUTLLPZQL-ZDUSSCGKSA-N	1	0	386.460	0.789	20	50		GCGDRO
C[C@@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)[N@H+](C)C1CC1	ZINC000736019070	944734961	/nfs/dbraw/zinc/73/49/61/944734961.db2.gz	YWDGIWQYYXZUQA-NSHDSACASA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)[N@H+](C)C1CC1	ZINC000736019066	944736132	/nfs/dbraw/zinc/73/61/32/944736132.db2.gz	YWDGIWQYYXZUQA-LLVKDONJSA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264006	944780693	/nfs/dbraw/zinc/78/06/93/944780693.db2.gz	AWJRIHUTUKYFFR-QWHCGFSZSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859946	944900359	/nfs/dbraw/zinc/90/03/59/944900359.db2.gz	KNUWJVKKAIRBIQ-CABCVRRESA-N	1	0	384.444	0.780	20	50		GCGDRO
C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859947	944902109	/nfs/dbraw/zinc/90/21/09/944902109.db2.gz	KNUWJVKKAIRBIQ-GJZGRUSLSA-N	1	0	384.444	0.780	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc(-c2nn[nH]n2)n1C	ZINC000737211519	944985030	/nfs/dbraw/zinc/98/50/30/944985030.db2.gz	CEBWRIFMPHMKKK-VGOFMYFVSA-N	1	0	394.443	0.817	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211856	944989618	/nfs/dbraw/zinc/98/96/18/944989618.db2.gz	GGWHNROVHKVLAJ-UPYRFZFASA-N	1	0	396.455	0.400	20	50		GCGDRO
C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C	ZINC000820657924	945511825	/nfs/dbraw/zinc/51/18/25/945511825.db2.gz	NLJJZLHQDMMGBJ-NWDGAFQWSA-N	1	0	388.432	0.059	20	50		GCGDRO
CC[NH+]1CCC(CCNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000821242491	945658535	/nfs/dbraw/zinc/65/85/35/945658535.db2.gz	TVGLYOJLCZVGDG-UHFFFAOYSA-N	1	0	386.460	0.933	20	50		GCGDRO
C[NH+](C)[C@@]1(CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCSC1	ZINC000821581630	945722418	/nfs/dbraw/zinc/72/24/18/945722418.db2.gz	QUMPBARJOQFWFJ-MRXNPFEDSA-N	1	0	390.473	0.248	20	50		GCGDRO
C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21	ZINC000821625728	945756574	/nfs/dbraw/zinc/75/65/74/945756574.db2.gz	USYCBISTRHDNPX-JKSUJKDBSA-N	1	0	398.471	0.044	20	50		GCGDRO
C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824818166	946944631	/nfs/dbraw/zinc/94/46/31/946944631.db2.gz	SMHUQHIERCFUHI-SFHVURJKSA-N	1	0	387.444	0.255	20	50		GCGDRO
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000826249495	607453942	/nfs/dbraw/zinc/45/39/42/607453942.db2.gz	GCMMTJOXUNBFRW-BETUJISGSA-N	1	0	387.444	0.435	20	50		GCGDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C	ZINC000825444621	608256031	/nfs/dbraw/zinc/25/60/31/608256031.db2.gz	PGCYEGMUSNRSAR-STQMWFEESA-N	1	0	386.460	0.042	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410225	609284239	/nfs/dbraw/zinc/28/42/39/609284239.db2.gz	GYJIHZUSTUKJSN-INIZCTEOSA-N	1	0	399.455	0.519	20	50		GCGDRO
O=C(CCCC[NH+]1CCCC1)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000737826603	945132592	/nfs/dbraw/zinc/13/25/92/945132592.db2.gz	SEIOSSDVGBPKMO-UHFFFAOYSA-N	1	0	387.444	0.659	20	50		GCGDRO
CC(C)(C)N1NC=C2C[NH+]=C(NNC(=O)Nc3cccc(-c4nn[nH]n4)c3)N=C21	ZINC000735619013	944682341	/nfs/dbraw/zinc/68/23/41/944682341.db2.gz	PUWPWHMCNSEMNE-UHFFFAOYSA-N	1	0	395.431	0.764	20	50		GCGDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000735882836	944708957	/nfs/dbraw/zinc/70/89/57/944708957.db2.gz	UHAHFFWISZFKFP-ZDUSSCGKSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264005	944782412	/nfs/dbraw/zinc/78/24/12/944782412.db2.gz	AWJRIHUTUKYFFR-OLZOCXBDSA-N	1	0	386.460	0.931	20	50		GCGDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736323201	944803205	/nfs/dbraw/zinc/80/32/05/944803205.db2.gz	VUSMUZUSWSFVJD-GFCCVEGCSA-N	1	0	390.448	0.306	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859909	944899805	/nfs/dbraw/zinc/89/98/05/944899805.db2.gz	KAVAIXHOKUIDBB-HUUCEWRRSA-N	1	0	384.444	0.780	20	50		GCGDRO
COCCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736982210	944925931	/nfs/dbraw/zinc/92/59/31/944925931.db2.gz	SDYAKXXVKMYZMA-GDNBJRDFSA-N	1	0	386.460	0.505	20	50		GCGDRO
COCC[N@@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006362	944930341	/nfs/dbraw/zinc/93/03/41/944930341.db2.gz	GZWXJKBBVFVCFA-LRQZKABGSA-N	1	0	398.471	0.648	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737211227	944984159	/nfs/dbraw/zinc/98/41/59/944984159.db2.gz	BHYXQCFLGSOSJY-XIEDVDOYSA-N	1	0	384.444	0.210	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737211219	944984971	/nfs/dbraw/zinc/98/49/71/944984971.db2.gz	BHYXQCFLGSOSJY-KEQVLUGWSA-N	1	0	384.444	0.210	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737211216	944985008	/nfs/dbraw/zinc/98/50/08/944985008.db2.gz	BHYXQCFLGSOSJY-GSHXUFRSSA-N	1	0	384.444	0.210	20	50		GCGDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	ZINC000820260902	945398197	/nfs/dbraw/zinc/39/81/97/945398197.db2.gz	KMSAAYIDEAYZLF-LBPRGKRZSA-N	1	0	382.428	0.766	20	50		GCGDRO
CC[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[NH+](CC)CC	ZINC000820843459	945570677	/nfs/dbraw/zinc/57/06/77/945570677.db2.gz	ZUXCFGWPDRTRJY-CQSZACIVSA-N	1	0	375.433	0.513	20	50		GCGDRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821087813	945633144	/nfs/dbraw/zinc/63/31/44/945633144.db2.gz	GOHMMSHWUWAXFG-CYBMUJFWSA-N	1	0	386.460	0.885	20	50		GCGDRO
CCC[N@H+](CC)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000821094109	945633332	/nfs/dbraw/zinc/63/33/32/945633332.db2.gz	DEPRRDZMXRQTFC-UHFFFAOYSA-N	1	0	390.448	0.308	20	50		GCGDRO
C[NH+](C)Cc1cccc(C(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000821588318	945726862	/nfs/dbraw/zinc/72/68/62/945726862.db2.gz	MEGKGUDGYZFEDJ-UHFFFAOYSA-N	1	0	395.423	0.768	20	50		GCGDRO
C[N@H+](CCC1CCOCC1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821599418	945737976	/nfs/dbraw/zinc/73/79/76/945737976.db2.gz	SLZKYDDRYQMYFX-UHFFFAOYSA-N	1	0	387.444	0.376	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21	ZINC000821625727	945756420	/nfs/dbraw/zinc/75/64/20/945756420.db2.gz	USYCBISTRHDNPX-HZPDHXFCSA-N	1	0	398.471	0.044	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(-c2nn[nH]n2)n1C	ZINC000822027594	945933893	/nfs/dbraw/zinc/93/38/93/945933893.db2.gz	IOPWQGYTWLSFTI-WPBGYSLVSA-N	1	0	398.471	0.384	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(-c2nn[nH]n2)n1C	ZINC000822027593	945934909	/nfs/dbraw/zinc/93/49/09/945934909.db2.gz	IOPWQGYTWLSFTI-MVMZHWFQSA-N	1	0	398.471	0.384	20	50		GCGDRO
C[N@@H+]1CCCC12CCN(CC(=O)NNC(=O)c1ccc(-c3nn[nH]n3)cc1)CC2	ZINC000826033729	947413937	/nfs/dbraw/zinc/41/39/37/947413937.db2.gz	IPKFLDAFSPQPNK-UHFFFAOYSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000826446368	607343600	/nfs/dbraw/zinc/34/36/00/607343600.db2.gz	IZZRHFNGEFOZOC-LJQANCHMSA-N	1	0	379.424	0.947	20	50		GCGDRO
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000826249496	607453798	/nfs/dbraw/zinc/45/37/98/607453798.db2.gz	GCMMTJOXUNBFRW-CHWSQXEVSA-N	1	0	387.444	0.435	20	50		GCGDRO
C[NH+](C)CC1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000825860794	607537514	/nfs/dbraw/zinc/53/75/14/607537514.db2.gz	WXCKUNAKMMILPT-UHFFFAOYSA-N	1	0	386.460	0.931	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000823281121	607212344	/nfs/dbraw/zinc/21/23/44/607212344.db2.gz	MMNYSDQSGWHTHT-HOTGVXAUSA-N	1	0	386.460	0.871	20	50		GCGDRO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000558	607923198	/nfs/dbraw/zinc/92/31/98/607923198.db2.gz	SJZKMBVULWSFKL-CJNGLKHVSA-N	1	0	398.471	0.186	20	50		GCGDRO
CSCC[C@H](C)[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826228519	607925747	/nfs/dbraw/zinc/92/57/47/607925747.db2.gz	RMLKQICBWZOQLI-NSHDSACASA-N	1	0	377.474	0.701	20	50		GCGDRO
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000826446452	608171587	/nfs/dbraw/zinc/17/15/87/608171587.db2.gz	MEFPQZWWHIHEJL-ZDUSSCGKSA-N	1	0	396.377	0.719	20	50		GCGDRO
CC[N@@H+]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C	ZINC000825444620	608255971	/nfs/dbraw/zinc/25/59/71/608255971.db2.gz	PGCYEGMUSNRSAR-QWHCGFSZSA-N	1	0	386.460	0.042	20	50		GCGDRO
COc1ccc([C@H](C)[NH2+]CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000826188269	608431839	/nfs/dbraw/zinc/43/18/39/608431839.db2.gz	RVPFLHMJCPEPHM-LBPRGKRZSA-N	1	0	395.423	0.987	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564121	608461878	/nfs/dbraw/zinc/46/18/78/608461878.db2.gz	RXWXNSAYHCVORG-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562513	608484115	/nfs/dbraw/zinc/48/41/15/608484115.db2.gz	GUCOKQZPYCBQJO-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000820025868	945332664	/nfs/dbraw/zinc/33/26/64/945332664.db2.gz	DVRKCLJIBKXBCM-OAHLLOKOSA-N	1	0	387.444	0.421	20	50		GCGDRO
C=C(C)C[NH+]1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735397856	944644618	/nfs/dbraw/zinc/64/46/18/944644618.db2.gz	DPKVEJVJUDLCNT-UHFFFAOYSA-N	1	0	384.444	0.851	20	50		GCGDRO
C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCCCC1	ZINC000736017120	944732198	/nfs/dbraw/zinc/73/21/98/944732198.db2.gz	IIOQVMZHYZMMSF-ZDUSSCGKSA-N	1	0	386.460	0.933	20	50		GCGDRO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291135	944788430	/nfs/dbraw/zinc/78/84/30/944788430.db2.gz	DIHWYQKGNZYYEG-WFASDCNBSA-N	1	0	384.444	0.780	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc(-c2nn[nH]n2)n1C	ZINC000737211518	944984768	/nfs/dbraw/zinc/98/47/68/944984768.db2.gz	CEBWRIFMPHMKKK-AUWJEWJLSA-N	1	0	394.443	0.817	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211859	944989489	/nfs/dbraw/zinc/98/94/89/944989489.db2.gz	GGWHNROVHKVLAJ-VFPQPWSNSA-N	1	0	396.455	0.400	20	50		GCGDRO
C[NH+](C)[C@]1(CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCSC1	ZINC000821581612	945722607	/nfs/dbraw/zinc/72/26/07/945722607.db2.gz	QEWPSFJRZWKEPY-INIZCTEOSA-N	1	0	390.473	0.248	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@H]21	ZINC000821625071	945753560	/nfs/dbraw/zinc/75/35/60/945753560.db2.gz	FBRYCWQFZDMJFJ-HZPDHXFCSA-N	1	0	398.471	0.044	20	50		GCGDRO
O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822996998	946257901	/nfs/dbraw/zinc/25/79/01/946257901.db2.gz	KWLGEVJMLKAHFW-INIZCTEOSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410273	607527548	/nfs/dbraw/zinc/52/75/48/607527548.db2.gz	ISXQFYQOHNSONB-HZPDHXFCSA-N	1	0	399.455	0.376	20	50		GCGDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460514	607716858	/nfs/dbraw/zinc/71/68/58/607716858.db2.gz	ZOMJPVKEYMNQDL-GOEBONIOSA-N	1	0	398.471	0.643	20	50		GCGDRO
O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409620	607921915	/nfs/dbraw/zinc/92/19/15/607921915.db2.gz	HZEWAFMCLANBRR-LBPRGKRZSA-N	1	0	385.428	0.129	20	50		GCGDRO
C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034932	607922373	/nfs/dbraw/zinc/92/23/73/607922373.db2.gz	ZIGFNZOLGQNIAB-JKSUJKDBSA-N	1	0	398.471	0.186	20	50		GCGDRO
C[C@]1([NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO[C@H]1C1CC1	ZINC000824836778	608133441	/nfs/dbraw/zinc/13/34/41/608133441.db2.gz	CVVFAZJYXYANNJ-YJBOKZPZSA-N	1	0	385.428	0.175	20	50		GCGDRO
O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000826446451	608171326	/nfs/dbraw/zinc/17/13/26/608171326.db2.gz	MEFPQZWWHIHEJL-CYBMUJFWSA-N	1	0	396.377	0.719	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564122	608461940	/nfs/dbraw/zinc/46/19/40/608461940.db2.gz	RXWXNSAYHCVORG-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000824564897	608462787	/nfs/dbraw/zinc/46/27/87/608462787.db2.gz	XWYXXKCMJLKDBX-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N2CCC([N@H+](C)CCO)CC2)cc(-c2nn[nH]n2)n1C	ZINC000826235634	609393075	/nfs/dbraw/zinc/39/30/75/609393075.db2.gz	NSGGKLLKNFAWNE-XNTDXEJSSA-N	1	0	398.471	0.336	20	50		GCGDRO
O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NNc1cc[nH+]c2ccccc12	ZINC000737889098	945144338	/nfs/dbraw/zinc/14/43/38/945144338.db2.gz	JNEDRWYKMJISPV-UHFFFAOYSA-N	1	0	388.391	0.710	20	50		GCGDRO
C[NH+](C)CC(C)(C)CNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736765693	944886259	/nfs/dbraw/zinc/88/62/59/944886259.db2.gz	ZQNPLFAUSCKTDY-UHFFFAOYSA-N	1	0	376.490	0.563	20	50		GCGDRO
C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859910	944900002	/nfs/dbraw/zinc/90/00/02/944900002.db2.gz	KAVAIXHOKUIDBB-LSDHHAIUSA-N	1	0	384.444	0.780	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213719	945006218	/nfs/dbraw/zinc/00/62/18/945006218.db2.gz	WDYFGMNSXKNCCZ-LWLPBDFMSA-N	1	0	397.487	0.173	20	50		GCGDRO
C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C	ZINC000820657712	945510837	/nfs/dbraw/zinc/51/08/37/945510837.db2.gz	MIWUWVLHKVLGSA-WCQYABFASA-N	1	0	388.432	0.059	20	50		GCGDRO
C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@H]21	ZINC000821625072	945752779	/nfs/dbraw/zinc/75/27/79/945752779.db2.gz	FBRYCWQFZDMJFJ-JKSUJKDBSA-N	1	0	398.471	0.044	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410274	607528142	/nfs/dbraw/zinc/52/81/42/607528142.db2.gz	ISXQFYQOHNSONB-JKSUJKDBSA-N	1	0	399.455	0.376	20	50		GCGDRO
C[NH+](C)CC1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000825859574	607537617	/nfs/dbraw/zinc/53/76/17/607537617.db2.gz	HAROJXUWVMSGOA-UHFFFAOYSA-N	1	0	386.460	0.931	20	50		GCGDRO
O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410172	607859210	/nfs/dbraw/zinc/85/92/10/607859210.db2.gz	FLWCLTFIPYYRLQ-INIZCTEOSA-N	1	0	399.455	0.376	20	50		GCGDRO
C[NH+]1CCC([C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000826021912	607912119	/nfs/dbraw/zinc/91/21/19/607912119.db2.gz	DPURMBYVXYOYTF-MRXNPFEDSA-N	1	0	398.471	0.885	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410807	607924540	/nfs/dbraw/zinc/92/45/40/607924540.db2.gz	ZENRJJBPQXYSAX-GJZGRUSLSA-N	1	0	385.428	0.129	20	50		GCGDRO
COc1ccc([C@@H](C)[NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000826188093	608431849	/nfs/dbraw/zinc/43/18/49/608431849.db2.gz	NKTDGMFHVVHEPC-GFCCVEGCSA-N	1	0	395.423	0.987	20	50		GCGDRO
COc1cccc([C@@H](C)[NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	ZINC000826214190	608432361	/nfs/dbraw/zinc/43/23/61/608432361.db2.gz	DAQQZZOPDRSUMX-GFCCVEGCSA-N	1	0	395.423	0.987	20	50		GCGDRO
O=C(C[NH2+][C@@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826412231	608433001	/nfs/dbraw/zinc/43/30/01/608433001.db2.gz	HGDDAJIOZKGHTB-INIZCTEOSA-N	1	0	395.423	0.341	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1	ZINC000824564847	608461953	/nfs/dbraw/zinc/46/19/53/608461953.db2.gz	WTJNZXHPUMSGKS-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562792	608485744	/nfs/dbraw/zinc/48/57/44/608485744.db2.gz	IRHMJXHAWQTHEK-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
C#CC[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000823839096	608519571	/nfs/dbraw/zinc/51/95/71/608519571.db2.gz	ZLCGXFVCYJCEAA-QGZVFWFLSA-N	1	0	389.419	0.982	20	50		GCGDRO
C[N@H+](CCCI)CCCc1[nH]nc(N)c1-c1nn[nH]n1	ZINC000825918545	609295163	/nfs/dbraw/zinc/29/51/63/609295163.db2.gz	GOAWWMKHDWOBCR-UHFFFAOYSA-N	1	0	390.233	0.862	20	50		GCGDRO
C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCCC1	ZINC000819867952	945302544	/nfs/dbraw/zinc/30/25/44/945302544.db2.gz	VRIQSGQDQWXVQJ-CYBMUJFWSA-N	1	0	387.444	0.657	20	50		GCGDRO
CC(C)C[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000735831467	944704432	/nfs/dbraw/zinc/70/44/32/944704432.db2.gz	SCYVVLYRYZQNOR-UHFFFAOYSA-N	1	0	386.460	0.931	20	50		GCGDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007323	944931500	/nfs/dbraw/zinc/93/15/00/944931500.db2.gz	LUSWVEZASWJZCP-HTRKUNOGSA-N	1	0	398.471	0.648	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NCCC[NH+]2CCC(O)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737212459	944993695	/nfs/dbraw/zinc/99/36/95/944993695.db2.gz	KCCDBRDFWXGGAU-XNTDXEJSSA-N	1	0	398.471	0.384	20	50		GCGDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821087491	945630256	/nfs/dbraw/zinc/63/02/56/945630256.db2.gz	BTPMIPJHSFVWPY-ZDUSSCGKSA-N	1	0	386.460	0.885	20	50		GCGDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000822860136	946204925	/nfs/dbraw/zinc/20/49/25/946204925.db2.gz	NSRBFRAICYUCCF-ZDUSSCGKSA-N	1	0	387.448	0.080	20	50		GCGDRO
O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822993396	946252237	/nfs/dbraw/zinc/25/22/37/946252237.db2.gz	SFKWRTUCFMFTJB-AWEZNQCLSA-N	1	0	398.471	0.045	20	50		GCGDRO
O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996173	946253716	/nfs/dbraw/zinc/25/37/16/946253716.db2.gz	AITXNTVRPAHGRF-INIZCTEOSA-N	1	0	398.471	0.188	20	50		GCGDRO
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000826249497	607453606	/nfs/dbraw/zinc/45/36/06/607453606.db2.gz	GCMMTJOXUNBFRW-STQMWFEESA-N	1	0	387.444	0.435	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000823281123	607212502	/nfs/dbraw/zinc/21/25/02/607212502.db2.gz	MMNYSDQSGWHTHT-HZPDHXFCSA-N	1	0	386.460	0.871	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410226	609283780	/nfs/dbraw/zinc/28/37/80/609283780.db2.gz	GYJIHZUSTUKJSN-MRXNPFEDSA-N	1	0	399.455	0.519	20	50		GCGDRO
O=C(NNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(-c2nn[nH]n2)c1	ZINC000738135697	945227459	/nfs/dbraw/zinc/22/74/59/945227459.db2.gz	AZPMEXVQTPNYOV-HNNXBMFYSA-N	1	0	384.444	0.781	20	50		GCGDRO
O=C(NNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738137738	945248454	/nfs/dbraw/zinc/24/84/54/945248454.db2.gz	ZGJJPVGBZLDJMT-UHFFFAOYSA-N	1	0	393.411	0.438	20	50		GCGDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000820025867	945333537	/nfs/dbraw/zinc/33/35/37/945333537.db2.gz	DVRKCLJIBKXBCM-HNNXBMFYSA-N	1	0	387.444	0.421	20	50		GCGDRO
C[C@@H]1C[NH+](CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1	ZINC000736287401	944786830	/nfs/dbraw/zinc/78/68/30/944786830.db2.gz	OVKZSQBSMPHNNG-CHWSQXEVSA-N	1	0	387.444	0.056	20	50		GCGDRO
CCCC[N@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736454437	944825113	/nfs/dbraw/zinc/82/51/13/944825113.db2.gz	ZDCYSPNGJDNYDW-UHFFFAOYSA-N	1	0	390.448	0.308	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NCCC[NH+]2CCC(O)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737212458	944993620	/nfs/dbraw/zinc/99/36/20/944993620.db2.gz	KCCDBRDFWXGGAU-GDNBJRDFSA-N	1	0	398.471	0.384	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213512	945002771	/nfs/dbraw/zinc/00/27/71/945002771.db2.gz	USXICUVRESILFF-LWLPBDFMSA-N	1	0	397.487	0.173	20	50		GCGDRO
C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C	ZINC000820657710	945512065	/nfs/dbraw/zinc/51/20/65/945512065.db2.gz	MIWUWVLHKVLGSA-DGCLKSJQSA-N	1	0	388.432	0.059	20	50		GCGDRO
CC[NH+](CC)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821180596	945649593	/nfs/dbraw/zinc/64/95/93/945649593.db2.gz	FTUDVBXQEYNYIP-HNNXBMFYSA-N	1	0	386.460	0.044	20	50		GCGDRO
CC[NH+](CC)CCSCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821199121	945653593	/nfs/dbraw/zinc/65/35/93/945653593.db2.gz	ZGVXTEMWCNMSDH-UHFFFAOYSA-N	1	0	377.474	0.703	20	50		GCGDRO
COC1CC[NH+](CCNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000821679585	945798884	/nfs/dbraw/zinc/79/88/84/945798884.db2.gz	DDKHBVBGJWOJJZ-XNTDXEJSSA-N	1	0	398.471	0.648	20	50		GCGDRO
O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991439	946248000	/nfs/dbraw/zinc/24/80/00/946248000.db2.gz	CYNKOHWKSLXILY-MRXNPFEDSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822991454	946249052	/nfs/dbraw/zinc/24/90/52/946249052.db2.gz	DSLAVTJETRJPNK-AWEZNQCLSA-N	1	0	398.471	0.045	20	50		GCGDRO
C[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C	ZINC000824884094	946972372	/nfs/dbraw/zinc/97/23/72/946972372.db2.gz	LJEQXRFKWFVQPA-WFASDCNBSA-N	1	0	386.460	0.042	20	50		GCGDRO
C[NH+]1CCC([C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000826021911	947407275	/nfs/dbraw/zinc/40/72/75/947407275.db2.gz	DPURMBYVXYOYTF-INIZCTEOSA-N	1	0	398.471	0.885	20	50		GCGDRO
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826407123	607348266	/nfs/dbraw/zinc/34/82/66/607348266.db2.gz	BVFYVJXBVSJKSF-UHFFFAOYSA-N	1	0	393.455	0.917	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410349	607527852	/nfs/dbraw/zinc/52/78/52/607527852.db2.gz	KQRGAIDNLYMXOR-JKSUJKDBSA-N	1	0	399.455	0.376	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000826447533	607717602	/nfs/dbraw/zinc/71/76/02/607717602.db2.gz	KIQZWCHROHTQQE-IBGZPJMESA-N	1	0	379.424	0.947	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000823281119	607212290	/nfs/dbraw/zinc/21/22/90/607212290.db2.gz	MMNYSDQSGWHTHT-CVEARBPZSA-N	1	0	386.460	0.871	20	50		GCGDRO
COCC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C	ZINC000826157706	607921746	/nfs/dbraw/zinc/92/17/46/607921746.db2.gz	HVQBRVVQLFQTBE-UHFFFAOYSA-N	1	0	375.433	0.232	20	50		GCGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948495	609157330	/nfs/dbraw/zinc/15/73/30/609157330.db2.gz	PGFCYTKBIYAMQO-LLVKDONJSA-N	1	0	375.408	0.814	20	50		GCGDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737807957	945129717	/nfs/dbraw/zinc/12/97/17/945129717.db2.gz	OMGNCSSQQYICFX-UHFFFAOYSA-N	1	0	399.455	0.663	20	50		GCGDRO
CCCC[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736452672	944825676	/nfs/dbraw/zinc/82/56/76/944825676.db2.gz	HJCUVJULSXLMPO-UHFFFAOYSA-N	1	0	390.448	0.308	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(-c2nn[nH]n2)n1C	ZINC000737211849	944988497	/nfs/dbraw/zinc/98/84/97/944988497.db2.gz	GGWHNROVHKVLAJ-ILYXUJSMSA-N	1	0	396.455	0.400	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213721	945005390	/nfs/dbraw/zinc/00/53/90/945005390.db2.gz	WDYFGMNSXKNCCZ-WPBJZHHJSA-N	1	0	397.487	0.173	20	50		GCGDRO
C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C	ZINC000820657927	945511674	/nfs/dbraw/zinc/51/16/74/945511674.db2.gz	NLJJZLHQDMMGBJ-VXGBXAGGSA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@@H]1C[NH+](CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)O1	ZINC000820750553	945545600	/nfs/dbraw/zinc/54/56/00/945545600.db2.gz	BRYOLCGOGNQDEX-CHWSQXEVSA-N	1	0	387.444	0.056	20	50		GCGDRO
CC[NH+](CC)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821180791	945648926	/nfs/dbraw/zinc/64/89/26/945648926.db2.gz	HIASBJVTMYAKSQ-OAHLLOKOSA-N	1	0	386.460	0.044	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@@H]21	ZINC000821625069	945753776	/nfs/dbraw/zinc/75/37/76/945753776.db2.gz	FBRYCWQFZDMJFJ-CVEARBPZSA-N	1	0	398.471	0.044	20	50		GCGDRO
O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822991438	946249033	/nfs/dbraw/zinc/24/90/33/946249033.db2.gz	CYNKOHWKSLXILY-INIZCTEOSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822993398	946252918	/nfs/dbraw/zinc/25/29/18/946252918.db2.gz	SFKWRTUCFMFTJB-CQSZACIVSA-N	1	0	398.471	0.045	20	50		GCGDRO
O=C(C[N@@H+]1CCC2(C1)CCOCC2)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997895	946258642	/nfs/dbraw/zinc/25/86/42/946258642.db2.gz	XBKXIISVSOUNOA-UHFFFAOYSA-N	1	0	385.428	0.130	20	50		GCGDRO
O=C(NN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1COCCO1	ZINC000823269514	946366567	/nfs/dbraw/zinc/36/65/67/946366567.db2.gz	IGWXGOLMMAHKKX-MRXNPFEDSA-N	1	0	385.428	0.350	20	50		GCGDRO
Cc1ccncc1[C@H](C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826315967	947924239	/nfs/dbraw/zinc/92/42/39/947924239.db2.gz	ZPJVIDOHGCNMSW-LBPRGKRZSA-N	1	0	380.412	0.682	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410272	607528113	/nfs/dbraw/zinc/52/81/13/607528113.db2.gz	ISXQFYQOHNSONB-HOTGVXAUSA-N	1	0	399.455	0.376	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000826447534	607717578	/nfs/dbraw/zinc/71/75/78/607717578.db2.gz	KIQZWCHROHTQQE-LJQANCHMSA-N	1	0	379.424	0.947	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034929	607922725	/nfs/dbraw/zinc/92/27/25/607922725.db2.gz	ZIGFNZOLGQNIAB-CVEARBPZSA-N	1	0	398.471	0.186	20	50		GCGDRO
COc1cccc([C@H](C)[NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	ZINC000826214191	608432153	/nfs/dbraw/zinc/43/21/53/608432153.db2.gz	DAQQZZOPDRSUMX-LBPRGKRZSA-N	1	0	395.423	0.987	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1	ZINC000824562848	608485790	/nfs/dbraw/zinc/48/57/90/608485790.db2.gz	KBVXQALNIZAACK-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
CCCC[N@H+](CCCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825285090	608562507	/nfs/dbraw/zinc/56/25/07/608562507.db2.gz	JCHBKVYHECQYSW-UHFFFAOYSA-N	1	0	375.433	0.112	20	50		GCGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948496	609157205	/nfs/dbraw/zinc/15/72/05/609157205.db2.gz	PGFCYTKBIYAMQO-NSHDSACASA-N	1	0	375.408	0.814	20	50		GCGDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000820093022	945350564	/nfs/dbraw/zinc/35/05/64/945350564.db2.gz	RPAAPOFBZQTKET-CYBMUJFWSA-N	1	0	386.460	0.789	20	50		GCGDRO
C=C(C)C[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000735398516	944644697	/nfs/dbraw/zinc/64/46/97/944644697.db2.gz	IAQHUXKKXILZRW-UHFFFAOYSA-N	1	0	384.444	0.851	20	50		GCGDRO
C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000736263971	944782080	/nfs/dbraw/zinc/78/20/80/944782080.db2.gz	AFPOGEBDCIZKDX-STQMWFEESA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1	ZINC000736277356	944783391	/nfs/dbraw/zinc/78/33/91/944783391.db2.gz	MVCVXGOICKGNFZ-CYBMUJFWSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1	ZINC000736287397	944786442	/nfs/dbraw/zinc/78/64/42/944786442.db2.gz	OVKZSQBSMPHNNG-BETUJISGSA-N	1	0	387.444	0.056	20	50		GCGDRO
C[C@H]1C[NH+](CCC(=O)NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1	ZINC000736287403	944786500	/nfs/dbraw/zinc/78/65/00/944786500.db2.gz	OVKZSQBSMPHNNG-STQMWFEESA-N	1	0	387.444	0.056	20	50		GCGDRO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295455	944788553	/nfs/dbraw/zinc/78/85/53/944788553.db2.gz	UZZHTLKDLWGUGO-DOMZBBRYSA-N	1	0	384.444	0.780	20	50		GCGDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007327	944932155	/nfs/dbraw/zinc/93/21/55/944932155.db2.gz	LUSWVEZASWJZCP-LRQZKABGSA-N	1	0	398.471	0.648	20	50		GCGDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	ZINC000820261006	945397889	/nfs/dbraw/zinc/39/78/89/945397889.db2.gz	LBLZMVPVWOTUTD-ZDUSSCGKSA-N	1	0	383.456	0.992	20	50		GCGDRO
C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C	ZINC000820657925	945511646	/nfs/dbraw/zinc/51/16/46/945511646.db2.gz	NLJJZLHQDMMGBJ-RYUDHWBXSA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@H]1C[NH+](CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1	ZINC000820750555	945545556	/nfs/dbraw/zinc/54/55/56/945545556.db2.gz	BRYOLCGOGNQDEX-STQMWFEESA-N	1	0	387.444	0.056	20	50		GCGDRO
COC1CC[NH+](CCNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000821679584	945798014	/nfs/dbraw/zinc/79/80/14/945798014.db2.gz	DDKHBVBGJWOJJZ-GDNBJRDFSA-N	1	0	398.471	0.648	20	50		GCGDRO
O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822991678	946248715	/nfs/dbraw/zinc/24/87/15/946248715.db2.gz	FAPLLGQLBDCODQ-INIZCTEOSA-N	1	0	398.471	0.188	20	50		GCGDRO
Cc1ccncc1[C@H](C)[NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826315629	947921058	/nfs/dbraw/zinc/92/10/58/947921058.db2.gz	ONRJELYECLSWKU-LBPRGKRZSA-N	1	0	380.412	0.682	20	50		GCGDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458307	607342994	/nfs/dbraw/zinc/34/29/94/607342994.db2.gz	CBALWQZAJXAFPN-GDBMZVCRSA-N	1	0	398.471	0.643	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410348	607527708	/nfs/dbraw/zinc/52/77/08/607527708.db2.gz	KQRGAIDNLYMXOR-HZPDHXFCSA-N	1	0	399.455	0.376	20	50		GCGDRO
O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409619	607921222	/nfs/dbraw/zinc/92/12/22/607921222.db2.gz	HZEWAFMCLANBRR-GFCCVEGCSA-N	1	0	385.428	0.129	20	50		GCGDRO
CC(C)[N@@H+]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824300470	607922034	/nfs/dbraw/zinc/92/20/34/607922034.db2.gz	HOAZSTJMIQCMSI-UHFFFAOYSA-N	1	0	386.460	0.044	20	50		GCGDRO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000557	607923169	/nfs/dbraw/zinc/92/31/69/607923169.db2.gz	SJZKMBVULWSFKL-BBRMVZONSA-N	1	0	398.471	0.186	20	50		GCGDRO
COc1ccc([C@H](C)[NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000826188094	608431789	/nfs/dbraw/zinc/43/17/89/608431789.db2.gz	NKTDGMFHVVHEPC-LBPRGKRZSA-N	1	0	395.423	0.987	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1	ZINC000824563474	608461922	/nfs/dbraw/zinc/46/19/22/608461922.db2.gz	PDYLTRBDLJRCDN-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000820027802	945332353	/nfs/dbraw/zinc/33/23/53/945332353.db2.gz	UGIJZKZTCZHPNI-HNNXBMFYSA-N	1	0	387.444	0.421	20	50		GCGDRO
CC(C)[NH2+]C1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000820137677	945359944	/nfs/dbraw/zinc/35/99/44/945359944.db2.gz	NSLSNXZKQKPMRB-UHFFFAOYSA-N	1	0	386.460	0.090	20	50		GCGDRO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736264004	944782129	/nfs/dbraw/zinc/78/21/29/944782129.db2.gz	AWJRIHUTUKYFFR-CHWSQXEVSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000736263969	944782765	/nfs/dbraw/zinc/78/27/65/944782765.db2.gz	AFPOGEBDCIZKDX-OLZOCXBDSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291132	944788719	/nfs/dbraw/zinc/78/87/19/944788719.db2.gz	DIHWYQKGNZYYEG-DOMZBBRYSA-N	1	0	384.444	0.780	20	50		GCGDRO
CC[N@H+](CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C	ZINC000736537472	944841365	/nfs/dbraw/zinc/84/13/65/944841365.db2.gz	SLEXWUZGPOCXLY-UHFFFAOYSA-N	1	0	390.448	0.306	20	50		GCGDRO
C[NH+](C)CCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736769339	944886403	/nfs/dbraw/zinc/88/64/03/944886403.db2.gz	OTTHIEOYFGWBCH-UHFFFAOYSA-N	1	0	395.423	0.882	20	50		GCGDRO
CN1CCC([N@@H+]2CC[C@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000736853712	944899768	/nfs/dbraw/zinc/89/97/68/944899768.db2.gz	ZTTMCSOSJBBUQQ-HNNXBMFYSA-N	1	0	385.476	0.661	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736859907	944901215	/nfs/dbraw/zinc/90/12/15/944901215.db2.gz	KAVAIXHOKUIDBB-CABCVRRESA-N	1	0	384.444	0.780	20	50		GCGDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	ZINC000820260899	945398073	/nfs/dbraw/zinc/39/80/73/945398073.db2.gz	KMSAAYIDEAYZLF-GFCCVEGCSA-N	1	0	382.428	0.766	20	50		GCGDRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821087814	945632817	/nfs/dbraw/zinc/63/28/17/945632817.db2.gz	GOHMMSHWUWAXFG-ZDUSSCGKSA-N	1	0	386.460	0.885	20	50		GCGDRO
O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822991455	946248803	/nfs/dbraw/zinc/24/88/03/946248803.db2.gz	DSLAVTJETRJPNK-CQSZACIVSA-N	1	0	398.471	0.045	20	50		GCGDRO
O=C(CN1CC[NH+](C2CCCC2)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997276	946258173	/nfs/dbraw/zinc/25/81/73/946258173.db2.gz	OGMGPFNMHZGSGF-UHFFFAOYSA-N	1	0	398.471	0.188	20	50		GCGDRO
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458310	607343123	/nfs/dbraw/zinc/34/31/23/607343123.db2.gz	CBALWQZAJXAFPN-GOEBONIOSA-N	1	0	398.471	0.643	20	50		GCGDRO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000560	607923294	/nfs/dbraw/zinc/92/32/94/607923294.db2.gz	SJZKMBVULWSFKL-XJKSGUPXSA-N	1	0	398.471	0.186	20	50		GCGDRO
C[C@@]1([NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO[C@H]1C1CC1	ZINC000824836774	608133657	/nfs/dbraw/zinc/13/36/57/608133657.db2.gz	CVVFAZJYXYANNJ-MAUKXSAKSA-N	1	0	385.428	0.175	20	50		GCGDRO
CC[C@@H](CSC)[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825122180	608325050	/nfs/dbraw/zinc/32/50/50/608325050.db2.gz	XUMKLTNKSBIFBL-ZDUSSCGKSA-N	1	0	377.474	0.701	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824562370	608485630	/nfs/dbraw/zinc/48/56/30/608485630.db2.gz	GJGVHBLSCJNQMO-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1	ZINC000824562847	608485786	/nfs/dbraw/zinc/48/57/86/608485786.db2.gz	KBVXQALNIZAACK-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1	ZINC000824562371	608485830	/nfs/dbraw/zinc/48/58/30/608485830.db2.gz	GJGVHBLSCJNQMO-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
C#CC[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000823839094	608519631	/nfs/dbraw/zinc/51/96/31/608519631.db2.gz	ZLCGXFVCYJCEAA-KRWDZBQOSA-N	1	0	389.419	0.982	20	50		GCGDRO
CCCC[N@H+](CCCO)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825285157	608562224	/nfs/dbraw/zinc/56/22/24/608562224.db2.gz	LLZQMVXHLZVHFX-UHFFFAOYSA-N	1	0	375.433	0.112	20	50		GCGDRO
O=C(NN=C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738129544	945202241	/nfs/dbraw/zinc/20/22/41/945202241.db2.gz	UOVHVKWPBCRGNT-UHFFFAOYSA-N	1	0	398.471	0.381	20	50		GCGDRO
O=C(NNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738136470	945236076	/nfs/dbraw/zinc/23/60/76/945236076.db2.gz	MCGHRLVXZKYRCP-OAHLLOKOSA-N	1	0	384.444	0.781	20	50		GCGDRO
C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCCC1	ZINC000819867953	945302427	/nfs/dbraw/zinc/30/24/27/945302427.db2.gz	VRIQSGQDQWXVQJ-ZDUSSCGKSA-N	1	0	387.444	0.657	20	50		GCGDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000820027805	945332334	/nfs/dbraw/zinc/33/23/34/945332334.db2.gz	UGIJZKZTCZHPNI-OAHLLOKOSA-N	1	0	387.444	0.421	20	50		GCGDRO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295463	944788349	/nfs/dbraw/zinc/78/83/49/944788349.db2.gz	UZZHTLKDLWGUGO-WFASDCNBSA-N	1	0	384.444	0.780	20	50		GCGDRO
CC[N@H+](CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)C1CC1	ZINC000736537147	944841289	/nfs/dbraw/zinc/84/12/89/944841289.db2.gz	RNCSNOYQELDIEU-UHFFFAOYSA-N	1	0	388.432	0.060	20	50		GCGDRO
C[N@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1	ZINC000736801184	944893689	/nfs/dbraw/zinc/89/36/89/944893689.db2.gz	SYJJQJKGOZSKRX-UHFFFAOYSA-N	1	0	394.439	0.943	20	50		GCGDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007565	944930507	/nfs/dbraw/zinc/93/05/07/944930507.db2.gz	MWZAYDUNUQSZAQ-UJMHRVFCSA-N	1	0	384.444	0.258	20	50		GCGDRO
C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C	ZINC000820657923	945510506	/nfs/dbraw/zinc/51/05/06/945510506.db2.gz	NLJJZLHQDMMGBJ-NEPJUHHUSA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C	ZINC000820657714	945511949	/nfs/dbraw/zinc/51/19/49/945511949.db2.gz	MIWUWVLHKVLGSA-YPMHNXCESA-N	1	0	388.432	0.059	20	50		GCGDRO
CC[NH+]1CCC(CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000821242805	945658564	/nfs/dbraw/zinc/65/85/64/945658564.db2.gz	WDURNFBTAQNJHX-UHFFFAOYSA-N	1	0	386.460	0.933	20	50		GCGDRO
C[NH+](C)[C@@]1(CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCSC1	ZINC000821581613	945723736	/nfs/dbraw/zinc/72/37/36/945723736.db2.gz	QEWPSFJRZWKEPY-MRXNPFEDSA-N	1	0	390.473	0.248	20	50		GCGDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822935448	946223846	/nfs/dbraw/zinc/22/38/46/946223846.db2.gz	LGDVBYPJWOPZQW-UHFFFAOYSA-N	1	0	399.455	0.663	20	50		GCGDRO
O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997000	946255697	/nfs/dbraw/zinc/25/56/97/946255697.db2.gz	KWLGEVJMLKAHFW-MRXNPFEDSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(C[N@@H+]1CCC2(C1)CCOCC2)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822997109	946255754	/nfs/dbraw/zinc/25/57/54/946255754.db2.gz	NGDFSHVDQJNCIR-UHFFFAOYSA-N	1	0	385.428	0.130	20	50		GCGDRO
CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825739474	947307648	/nfs/dbraw/zinc/30/76/48/947307648.db2.gz	DVTJAOIIADNMTP-GFCCVEGCSA-N	1	0	394.439	0.936	20	50		GCGDRO
CCc1cnccc1[C@H](C)[NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825740128	947309596	/nfs/dbraw/zinc/30/95/96/947309596.db2.gz	NXXFCRTYZVBTAA-LBPRGKRZSA-N	1	0	394.439	0.936	20	50		GCGDRO
CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825740127	947309785	/nfs/dbraw/zinc/30/97/85/947309785.db2.gz	NXXFCRTYZVBTAA-GFCCVEGCSA-N	1	0	394.439	0.936	20	50		GCGDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000825458315	607342904	/nfs/dbraw/zinc/34/29/04/607342904.db2.gz	CBALWQZAJXAFPN-ZBFHGGJFSA-N	1	0	398.471	0.643	20	50		GCGDRO
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000825460515	607717101	/nfs/dbraw/zinc/71/71/01/607717101.db2.gz	ZOMJPVKEYMNQDL-HOCLYGCPSA-N	1	0	398.471	0.643	20	50		GCGDRO
CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825451167	607924432	/nfs/dbraw/zinc/92/44/32/607924432.db2.gz	GXBAUNPOCIITPK-CVEARBPZSA-N	1	0	398.471	0.186	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410809	607924915	/nfs/dbraw/zinc/92/49/15/607924915.db2.gz	ZENRJJBPQXYSAX-LSDHHAIUSA-N	1	0	385.428	0.129	20	50		GCGDRO
CC[N@@H+]1C[C@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC000825444619	608255825	/nfs/dbraw/zinc/25/58/25/608255825.db2.gz	PGCYEGMUSNRSAR-OLZOCXBDSA-N	1	0	386.460	0.042	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562793	608485671	/nfs/dbraw/zinc/48/56/71/608485671.db2.gz	IRHMJXHAWQTHEK-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948824	609275346	/nfs/dbraw/zinc/27/53/46/609275346.db2.gz	ZTAHIXYTBCBAMK-LLVKDONJSA-N	1	0	375.408	0.814	20	50		GCGDRO
C[NH+](C)CCOc1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)ccn1	ZINC000825870359	609350673	/nfs/dbraw/zinc/35/06/73/609350673.db2.gz	IPYIBCHGSIWAQG-UHFFFAOYSA-N	1	0	396.411	0.277	20	50		GCGDRO
COC(=O)CNC(=O)NN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826138527	609523363	/nfs/dbraw/zinc/52/33/63/609523363.db2.gz	YIBBMMXSDBGREU-UHFFFAOYSA-N	1	0	386.416	0.291	20	50		GCGDRO
C[C@@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CC1	ZINC000736017440	944732129	/nfs/dbraw/zinc/73/21/29/944732129.db2.gz	NNTYYXDDURWAJJ-NSHDSACASA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1	ZINC000736277358	944783834	/nfs/dbraw/zinc/78/38/34/944783834.db2.gz	MVCVXGOICKGNFZ-ZDUSSCGKSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291134	944788533	/nfs/dbraw/zinc/78/85/33/944788533.db2.gz	DIHWYQKGNZYYEG-SWLSCSKDSA-N	1	0	384.444	0.780	20	50		GCGDRO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736295457	944790176	/nfs/dbraw/zinc/79/01/76/944790176.db2.gz	UZZHTLKDLWGUGO-IUODEOHRSA-N	1	0	384.444	0.780	20	50		GCGDRO
CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736323202	944801381	/nfs/dbraw/zinc/80/13/81/944801381.db2.gz	VUSMUZUSWSFVJD-LBPRGKRZSA-N	1	0	390.448	0.306	20	50		GCGDRO
CCC[NH+]1CCC(CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000736478745	944830042	/nfs/dbraw/zinc/83/00/42/944830042.db2.gz	DAZPAQQCTUNVIT-UHFFFAOYSA-N	1	0	386.460	0.933	20	50		GCGDRO
CC[NH+]1CCN(CCNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1	ZINC000736570584	944846046	/nfs/dbraw/zinc/84/60/46/944846046.db2.gz	ZEBNOZQLNKMOIA-WJDWOHSUSA-N	1	0	397.487	0.174	20	50		GCGDRO
C[NH+](C)CC(C)(C)CNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736765482	944886504	/nfs/dbraw/zinc/88/65/04/944886504.db2.gz	XHCXTUYIQABHJN-UHFFFAOYSA-N	1	0	376.490	0.563	20	50		GCGDRO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1	ZINC000736853715	944900178	/nfs/dbraw/zinc/90/01/78/944900178.db2.gz	ZTTMCSOSJBBUQQ-OAHLLOKOSA-N	1	0	385.476	0.661	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736859948	944901888	/nfs/dbraw/zinc/90/18/88/944901888.db2.gz	KNUWJVKKAIRBIQ-HUUCEWRRSA-N	1	0	384.444	0.780	20	50		GCGDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007560	944930376	/nfs/dbraw/zinc/93/03/76/944930376.db2.gz	MWZAYDUNUQSZAQ-NHXNDTTKSA-N	1	0	384.444	0.258	20	50		GCGDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000737007334	944930626	/nfs/dbraw/zinc/93/06/26/944930626.db2.gz	LUSWVEZASWJZCP-TYWAAFNRSA-N	1	0	398.471	0.648	20	50		GCGDRO
COCC[N@@H+]1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007558	944931918	/nfs/dbraw/zinc/93/19/18/944931918.db2.gz	MWZAYDUNUQSZAQ-CKNOQMABSA-N	1	0	384.444	0.258	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NCC2([NH+](C)C)CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000737212810	944997113	/nfs/dbraw/zinc/99/71/13/944997113.db2.gz	MPBBONAPYUHHRV-DHDCSXOGSA-N	1	0	398.471	0.648	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213513	945002829	/nfs/dbraw/zinc/00/28/29/945002829.db2.gz	USXICUVRESILFF-WFSQQTBHSA-N	1	0	397.487	0.173	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213511	945003693	/nfs/dbraw/zinc/00/36/93/945003693.db2.gz	USXICUVRESILFF-BPKVKKHESA-N	1	0	397.487	0.173	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213720	945005612	/nfs/dbraw/zinc/00/56/12/945005612.db2.gz	WDYFGMNSXKNCCZ-WFSQQTBHSA-N	1	0	397.487	0.173	20	50		GCGDRO
C[N@H+](CCC1CCOCC1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821599110	945735603	/nfs/dbraw/zinc/73/56/03/945735603.db2.gz	GDMGRQJDWRTWPC-UHFFFAOYSA-N	1	0	387.444	0.376	20	50		GCGDRO
C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@@H]21	ZINC000821625070	945753922	/nfs/dbraw/zinc/75/39/22/945753922.db2.gz	FBRYCWQFZDMJFJ-HOTGVXAUSA-N	1	0	398.471	0.044	20	50		GCGDRO
CCc1cnccc1[C@H](C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825739476	947308229	/nfs/dbraw/zinc/30/82/29/947308229.db2.gz	DVTJAOIIADNMTP-LBPRGKRZSA-N	1	0	394.439	0.936	20	50		GCGDRO
Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826315628	947921506	/nfs/dbraw/zinc/92/15/06/947921506.db2.gz	ONRJELYECLSWKU-GFCCVEGCSA-N	1	0	380.412	0.682	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410346	607527541	/nfs/dbraw/zinc/52/75/41/607527541.db2.gz	KQRGAIDNLYMXOR-CVEARBPZSA-N	1	0	399.455	0.376	20	50		GCGDRO
O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410441	607859524	/nfs/dbraw/zinc/85/95/24/607859524.db2.gz	NJUGTMXAGHRXGL-MRXNPFEDSA-N	1	0	399.455	0.376	20	50		GCGDRO
CC(C)(C)C[N@H+](CCCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824086502	607922047	/nfs/dbraw/zinc/92/20/47/607922047.db2.gz	MPYGKLYPHWHIOD-UHFFFAOYSA-N	1	0	389.460	0.358	20	50		GCGDRO
O=C(C[NH2+][C@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826412232	608432785	/nfs/dbraw/zinc/43/27/85/608432785.db2.gz	HGDDAJIOZKGHTB-MRXNPFEDSA-N	1	0	395.423	0.341	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1	ZINC000824562515	608485832	/nfs/dbraw/zinc/48/58/32/608485832.db2.gz	GUCOKQZPYCBQJO-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
Cn1cc(C(=O)NN=C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1	ZINC000737601386	945100601	/nfs/dbraw/zinc/10/06/01/945100601.db2.gz	CYLZSRKUJGXGQH-UHFFFAOYSA-N	1	0	379.428	0.982	20	50		GCGDRO
O=C(NNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738136468	945235893	/nfs/dbraw/zinc/23/58/93/945235893.db2.gz	MCGHRLVXZKYRCP-HNNXBMFYSA-N	1	0	384.444	0.781	20	50		GCGDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000820091814	945350309	/nfs/dbraw/zinc/35/03/09/945350309.db2.gz	AWZQQFUTLLPZQL-CYBMUJFWSA-N	1	0	386.460	0.789	20	50		GCGDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000820093023	945351243	/nfs/dbraw/zinc/35/12/43/945351243.db2.gz	RPAAPOFBZQTKET-ZDUSSCGKSA-N	1	0	386.460	0.789	20	50		GCGDRO
CC(C)[NH2+]C1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000820138581	945359450	/nfs/dbraw/zinc/35/94/50/945359450.db2.gz	YKVPYVNRWFFDIL-UHFFFAOYSA-N	1	0	386.460	0.090	20	50		GCGDRO
CC[N@H+](CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)C1CC1	ZINC000736537874	944840260	/nfs/dbraw/zinc/84/02/60/944840260.db2.gz	XZEGTYZZZUKNPU-UHFFFAOYSA-N	1	0	388.432	0.060	20	50		GCGDRO
COCC[N@@H+]1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737007563	944931150	/nfs/dbraw/zinc/93/11/50/944931150.db2.gz	MWZAYDUNUQSZAQ-OWTLUSIOSA-N	1	0	384.444	0.258	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213514	945004023	/nfs/dbraw/zinc/00/40/23/945004023.db2.gz	USXICUVRESILFF-WPBJZHHJSA-N	1	0	397.487	0.173	20	50		GCGDRO
C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C	ZINC000820657708	945511389	/nfs/dbraw/zinc/51/13/89/945511389.db2.gz	MIWUWVLHKVLGSA-AAEUAGOBSA-N	1	0	388.432	0.059	20	50		GCGDRO
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1	ZINC000820750550	945544756	/nfs/dbraw/zinc/54/47/56/945544756.db2.gz	BRYOLCGOGNQDEX-BETUJISGSA-N	1	0	387.444	0.056	20	50		GCGDRO
CCC[N@H+](CC)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000821094720	945632718	/nfs/dbraw/zinc/63/27/18/945632718.db2.gz	OWULWOCSJMPYDE-UHFFFAOYSA-N	1	0	390.448	0.308	20	50		GCGDRO
C[C@@H]1C[C@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C	ZINC000824884090	946971972	/nfs/dbraw/zinc/97/19/72/946971972.db2.gz	LJEQXRFKWFVQPA-IUODEOHRSA-N	1	0	386.460	0.042	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410806	607924767	/nfs/dbraw/zinc/92/47/67/607924767.db2.gz	ZENRJJBPQXYSAX-CABCVRRESA-N	1	0	385.428	0.129	20	50		GCGDRO
C[C@@]1([NH2+]CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO[C@@H]1C1CC1	ZINC000824836771	608133521	/nfs/dbraw/zinc/13/35/21/608133521.db2.gz	CVVFAZJYXYANNJ-CRAIPNDOSA-N	1	0	385.428	0.175	20	50		GCGDRO
COc1cccc([C@H](C)[NH2+]CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000826214640	608432359	/nfs/dbraw/zinc/43/23/59/608432359.db2.gz	RZOQUQRRASIWRL-LBPRGKRZSA-N	1	0	395.423	0.987	20	50		GCGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948825	609275440	/nfs/dbraw/zinc/27/54/40/609275440.db2.gz	ZTAHIXYTBCBAMK-NSHDSACASA-N	1	0	375.408	0.814	20	50		GCGDRO
O=C(NN=C1CC[NH+](CCN2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738129209	945198937	/nfs/dbraw/zinc/19/89/37/945198937.db2.gz	QPUQPMNNYJCLDV-UHFFFAOYSA-N	1	0	398.471	0.381	20	50		GCGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000738138355	945249364	/nfs/dbraw/zinc/24/93/64/945249364.db2.gz	ZQKQHFLKFGPRNA-ZDUSSCGKSA-N	1	0	386.460	0.994	20	50		GCGDRO
CC(C)(C)N1NC=C2C[NH+]=C(NNC(=O)Nc3ccc(-c4nn[nH]n4)cc3)N=C21	ZINC000735619627	944681665	/nfs/dbraw/zinc/68/16/65/944681665.db2.gz	VKQGZXCDKOHYGE-UHFFFAOYSA-N	1	0	395.431	0.764	20	50		GCGDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000735881936	944710006	/nfs/dbraw/zinc/71/00/06/944710006.db2.gz	LZEKYIOVAAQPIH-CYBMUJFWSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1	ZINC000736263968	944782032	/nfs/dbraw/zinc/78/20/32/944782032.db2.gz	AFPOGEBDCIZKDX-CHWSQXEVSA-N	1	0	386.460	0.931	20	50		GCGDRO
CC1CC[NH+](CCCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000736276737	944785054	/nfs/dbraw/zinc/78/50/54/944785054.db2.gz	PAHKQBZHKXIUBK-UHFFFAOYSA-N	1	0	386.460	0.933	20	50		GCGDRO
CC[N@H+](CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1)C(C)C	ZINC000736537001	944840842	/nfs/dbraw/zinc/84/08/42/944840842.db2.gz	OXCUEIONKHEBEX-UHFFFAOYSA-N	1	0	390.448	0.306	20	50		GCGDRO
CC[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[NH+](CC)CC	ZINC000820843458	945570152	/nfs/dbraw/zinc/57/01/52/945570152.db2.gz	ZUXCFGWPDRTRJY-AWEZNQCLSA-N	1	0	375.433	0.513	20	50		GCGDRO
CC[NH+](CC)[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821180600	945648829	/nfs/dbraw/zinc/64/88/29/945648829.db2.gz	FTUDVBXQEYNYIP-OAHLLOKOSA-N	1	0	386.460	0.044	20	50		GCGDRO
O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822991679	946248359	/nfs/dbraw/zinc/24/83/59/946248359.db2.gz	FAPLLGQLBDCODQ-MRXNPFEDSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(CN1CC[NH+](C2CCCC2)CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822996627	946257067	/nfs/dbraw/zinc/25/70/67/946257067.db2.gz	HTIDSRZBBHOEAA-UHFFFAOYSA-N	1	0	398.471	0.188	20	50		GCGDRO
C[C@]1(CCCO)CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824818165	946945397	/nfs/dbraw/zinc/94/53/97/946945397.db2.gz	SMHUQHIERCFUHI-GOSISDBHSA-N	1	0	387.444	0.255	20	50		GCGDRO
Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826315966	947923339	/nfs/dbraw/zinc/92/33/39/947923339.db2.gz	ZPJVIDOHGCNMSW-GFCCVEGCSA-N	1	0	380.412	0.682	20	50		GCGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000826446367	607343506	/nfs/dbraw/zinc/34/35/06/607343506.db2.gz	IZZRHFNGEFOZOC-IBGZPJMESA-N	1	0	379.424	0.947	20	50		GCGDRO
CS[C@H]1CCCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000826227076	607475436	/nfs/dbraw/zinc/47/54/36/607475436.db2.gz	LHRWWJMPWRECSO-AWEZNQCLSA-N	1	0	389.485	0.845	20	50		GCGDRO
CS[C@@H]1CCCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826227079	607475530	/nfs/dbraw/zinc/47/55/30/607475530.db2.gz	LIXJOGGCUONKNT-CQSZACIVSA-N	1	0	389.485	0.845	20	50		GCGDRO
C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034931	607922369	/nfs/dbraw/zinc/92/23/69/607922369.db2.gz	ZIGFNZOLGQNIAB-HZPDHXFCSA-N	1	0	398.471	0.186	20	50		GCGDRO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825000559	607923221	/nfs/dbraw/zinc/92/32/21/607923221.db2.gz	SJZKMBVULWSFKL-CZUORRHYSA-N	1	0	398.471	0.186	20	50		GCGDRO
CC[C@H](CSC)[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825122179	608325065	/nfs/dbraw/zinc/32/50/65/608325065.db2.gz	XUMKLTNKSBIFBL-CYBMUJFWSA-N	1	0	377.474	0.701	20	50		GCGDRO
COc1ccc([C@@H](C)[NH2+]CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1	ZINC000826188268	608431767	/nfs/dbraw/zinc/43/17/67/608431767.db2.gz	RVPFLHMJCPEPHM-GFCCVEGCSA-N	1	0	395.423	0.987	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)N2CCC([N@H+](C)CCO)CC2)cc(-c2nn[nH]n2)n1C	ZINC000826235633	609393107	/nfs/dbraw/zinc/39/31/07/609393107.db2.gz	NSGGKLLKNFAWNE-GDNBJRDFSA-N	1	0	398.471	0.336	20	50		GCGDRO
O=C(NNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(-c2nn[nH]n2)c1	ZINC000738135701	945226424	/nfs/dbraw/zinc/22/64/24/945226424.db2.gz	AZPMEXVQTPNYOV-OAHLLOKOSA-N	1	0	384.444	0.781	20	50		GCGDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000735882834	944709004	/nfs/dbraw/zinc/70/90/04/944709004.db2.gz	UHAHFFWISZFKFP-CYBMUJFWSA-N	1	0	386.460	0.931	20	50		GCGDRO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736291133	944789028	/nfs/dbraw/zinc/78/90/28/944789028.db2.gz	DIHWYQKGNZYYEG-IUODEOHRSA-N	1	0	384.444	0.780	20	50		GCGDRO
COCCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736982212	944926811	/nfs/dbraw/zinc/92/68/11/944926811.db2.gz	SDYAKXXVKMYZMA-XNTDXEJSSA-N	1	0	386.460	0.505	20	50		GCGDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000737006361	944931202	/nfs/dbraw/zinc/93/12/02/944931202.db2.gz	GZWXJKBBVFVCFA-HTRKUNOGSA-N	1	0	398.471	0.648	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NCC2([NH+](C)C)CCOCC2)cc(-c2nn[nH]n2)n1C	ZINC000737212812	944996287	/nfs/dbraw/zinc/99/62/87/944996287.db2.gz	MPBBONAPYUHHRV-OQLLNIDSSA-N	1	0	398.471	0.648	20	50		GCGDRO
CCN1CC[NH+](C[C@@H](C)CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000821268062	945662105	/nfs/dbraw/zinc/66/21/05/945662105.db2.gz	SBIHPLDJTMXDRV-AWEZNQCLSA-N	1	0	387.492	0.766	20	50		GCGDRO
C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21	ZINC000821625726	945756731	/nfs/dbraw/zinc/75/67/31/945756731.db2.gz	USYCBISTRHDNPX-HOTGVXAUSA-N	1	0	398.471	0.044	20	50		GCGDRO
Cc1c(C=C(C#N)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(-c2nn[nH]n2)n1C	ZINC000822027596	945934493	/nfs/dbraw/zinc/93/44/93/945934493.db2.gz	IOPWQGYTWLSFTI-YMDFIQGPSA-N	1	0	398.471	0.384	20	50		GCGDRO
O=C(NN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1COCCO1	ZINC000823269512	946366593	/nfs/dbraw/zinc/36/65/93/946366593.db2.gz	IGWXGOLMMAHKKX-INIZCTEOSA-N	1	0	385.428	0.350	20	50		GCGDRO
C[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C	ZINC000824884089	946973042	/nfs/dbraw/zinc/97/30/42/946973042.db2.gz	LJEQXRFKWFVQPA-DOMZBBRYSA-N	1	0	386.460	0.042	20	50		GCGDRO
CN(CCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1cc[nH+]cc1	ZINC000825914604	947367307	/nfs/dbraw/zinc/36/73/07/947367307.db2.gz	LDQZJLZEODMTGX-UHFFFAOYSA-N	1	0	396.411	0.314	20	50		GCGDRO
O=C(C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410347	607527858	/nfs/dbraw/zinc/52/78/58/607527858.db2.gz	KQRGAIDNLYMXOR-HOTGVXAUSA-N	1	0	399.455	0.376	20	50		GCGDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824261406	607757567	/nfs/dbraw/zinc/75/75/67/607757567.db2.gz	JPCGKSXYMCODLS-OAHLLOKOSA-N	1	0	386.460	0.931	20	50		GCGDRO
O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410440	607859283	/nfs/dbraw/zinc/85/92/83/607859283.db2.gz	NJUGTMXAGHRXGL-INIZCTEOSA-N	1	0	399.455	0.376	20	50		GCGDRO
O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826410173	607859381	/nfs/dbraw/zinc/85/93/81/607859381.db2.gz	FLWCLTFIPYYRLQ-MRXNPFEDSA-N	1	0	399.455	0.376	20	50		GCGDRO
CCC(CC)[N@H+](CCOC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825107097	607922041	/nfs/dbraw/zinc/92/20/41/607922041.db2.gz	LQNXSZSYNSCZCL-UHFFFAOYSA-N	1	0	389.460	0.765	20	50		GCGDRO
C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826034930	607922658	/nfs/dbraw/zinc/92/26/58/607922658.db2.gz	ZIGFNZOLGQNIAB-HOTGVXAUSA-N	1	0	398.471	0.186	20	50		GCGDRO
COC1CCC([N@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826145644	607922759	/nfs/dbraw/zinc/92/27/59/607922759.db2.gz	KGZHPFQGASAHGS-UHFFFAOYSA-N	1	0	387.444	0.517	20	50		GCGDRO
O=C(CN1CCC[C@H]1C[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410566	607922846	/nfs/dbraw/zinc/92/28/46/607922846.db2.gz	QTFGXOYKHAITKI-INIZCTEOSA-N	1	0	398.471	0.188	20	50		GCGDRO
O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410567	607922950	/nfs/dbraw/zinc/92/29/50/607922950.db2.gz	QTFGXOYKHAITKI-MRXNPFEDSA-N	1	0	398.471	0.188	20	50		GCGDRO
CC[NH+]1CCC(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000825450554	607924483	/nfs/dbraw/zinc/92/44/83/607924483.db2.gz	ATUHYCNMGLKFOV-UHFFFAOYSA-N	1	0	386.460	0.044	20	50		GCGDRO
CC[N@@H+]1C[C@@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C	ZINC000825444618	608255821	/nfs/dbraw/zinc/25/58/21/608255821.db2.gz	PGCYEGMUSNRSAR-CHWSQXEVSA-N	1	0	386.460	0.042	20	50		GCGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C#N)cc1	ZINC000824563473	608462173	/nfs/dbraw/zinc/46/21/73/608462173.db2.gz	PDYLTRBDLJRCDN-GFCCVEGCSA-N	1	0	390.407	0.850	20	50		GCGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1	ZINC000824564848	608462261	/nfs/dbraw/zinc/46/22/61/608462261.db2.gz	WTJNZXHPUMSGKS-LBPRGKRZSA-N	1	0	390.407	0.850	20	50		GCGDRO
Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)NNc1cc[nH+]cc1	ZINC000826328626	609172537	/nfs/dbraw/zinc/17/25/37/609172537.db2.gz	XWYNSZFEKLSEEA-UHFFFAOYSA-N	1	0	378.400	0.419	20	50		GCGDRO