smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@]1(C#N)C(=O)c2cc[n+](CC[n+]3ccc4c(c3)C(=O)[C@@](C#N)(C(=O)OCC)C4=O)cc2C1=O	ZINC000001650238	561678524	/nfs/dbraw/zinc/67/85/24/561678524.db2.gz	WZGKPJGFWVWQFF-WMPKNSHKSA-N	2	0	516.466	-0.134	1	30		KBEFRP
CCOC(=O)[C@]1(C#N)C(=O)c2cc[n+](CC[n+]3ccc4c(c3)C(=O)[C@](C#N)(C(=O)OCC)C4=O)cc2C1=O	ZINC000001650239	561678507	/nfs/dbraw/zinc/67/85/07/561678507.db2.gz	WZGKPJGFWVWQFF-CLJLJLNGSA-N	2	0	516.466	-0.134	1	30		KBEFRP
CCOC(=O)[C@@]1(C#N)C(=O)c2cc[n+](CC[n+]3ccc4c(c3)C(=O)[C@@](C#N)(C(=O)OCC)C4=O)cc2C1=O	ZINC000001650240	561678520	/nfs/dbraw/zinc/67/85/20/561678520.db2.gz	WZGKPJGFWVWQFF-UIOOFZCWSA-N	2	0	516.466	-0.134	1	30		KBEFRP
C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)NCC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N2	ZINC000013779738	561728933	/nfs/dbraw/zinc/72/89/33/561728933.db2.gz	DFAHEBZNQSNQIU-PMACEKPBSA-O	2	0	533.675	-0.533	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCC[NH3+])CC1	ZINC000016051611	561753783	/nfs/dbraw/zinc/75/37/83/561753783.db2.gz	KGJKWHCPJPBEJP-KRWDZBQOSA-N	2	0	507.583	-0.101	1	30	in-vitro	KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000024775049	561762459	/nfs/dbraw/zinc/76/24/59/561762459.db2.gz	SYXUZVGQAZAZDV-QORCZRPOSA-N	3	0	659.837	-0.716	1	30		KBEFRP
C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)[N+](C)(C)C)C(N)=O	ZINC000026171736	561769998	/nfs/dbraw/zinc/76/99/98/561769998.db2.gz	OAZBVGZFGARVDJ-DZUOILHNSA-P	3	0	669.872	-0.658	1	30		KBEFRP
C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000026176466	561770933	/nfs/dbraw/zinc/77/09/33/561770933.db2.gz	DLFXZRBUGSNYQH-PUHABZHSSA-O	3	0	654.837	-0.626	1	30		KBEFRP
C[N+](C)(C)CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O	ZINC000026181368	561771846	/nfs/dbraw/zinc/77/18/46/561771846.db2.gz	LGHZBNCTMSQRLE-BPXGVECKSA-O	3	0	654.837	-0.626	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026579291	561804535	/nfs/dbraw/zinc/80/45/35/561804535.db2.gz	OVIZBCMXCJAPHP-MNUOIFNESA-N	2	0	643.753	-0.761	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000026717075	561814337	/nfs/dbraw/zinc/81/43/37/561814337.db2.gz	QOMDWKCXWAFBDA-QORCZRPOSA-N	2	0	656.764	-0.118	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O	ZINC000026733395	561816920	/nfs/dbraw/zinc/81/69/20/561816920.db2.gz	OZZFGLBTVSDDKF-KRWDZBQOSA-N	3	0	511.631	-0.618	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O	ZINC000026733399	561816979	/nfs/dbraw/zinc/81/69/79/561816979.db2.gz	OZZFGLBTVSDDKF-QGZVFWFLSA-N	3	0	511.631	-0.618	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccc(F)cc3)CC(=O)N21)C(=O)c1nccs1	ZINC000026851652	561827286	/nfs/dbraw/zinc/82/72/86/561827286.db2.gz	ZMFLEXYDURICTN-MUGJNUQGSA-N	2	0	572.667	-0.225	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccc(F)cc3)CC(=O)N21)C(=O)c1nccs1	ZINC000026851659	561827297	/nfs/dbraw/zinc/82/72/97/561827297.db2.gz	ZMFLEXYDURICTN-HAGHYFMRSA-N	2	0	572.667	-0.225	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC(=O)N21)C(=O)c1nccs1	ZINC000026939062	561827948	/nfs/dbraw/zinc/82/79/48/561827948.db2.gz	JQCDPHABYSAVRG-LEAZDLGRSA-N	2	0	570.676	-0.658	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC(=O)N21)C(=O)c1nccs1	ZINC000026939068	561827967	/nfs/dbraw/zinc/82/79/67/561827967.db2.gz	JQCDPHABYSAVRG-FFGOWVMKSA-N	2	0	570.676	-0.658	1	30		KBEFRP
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([NH3+])CCCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC1=O	ZINC000027109516	561840980	/nfs/dbraw/zinc/84/09/80/561840980.db2.gz	RPHLJSUEETUZQK-LDTQXXFPSA-N	2	0	657.861	-0.059	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331051	561854877	/nfs/dbraw/zinc/85/48/77/561854877.db2.gz	NQTGHJYKTHFCAQ-GBBGEASQSA-N	2	0	707.746	-0.158	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331620	561855140	/nfs/dbraw/zinc/85/51/40/561855140.db2.gz	HJIOTKLDHVBCCS-DUSBTPNUSA-N	2	0	623.844	-0.126	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027332048	561855249	/nfs/dbraw/zinc/85/52/49/561855249.db2.gz	XYPLCUKJTSGWBA-CMOCDZPBSA-N	2	0	546.717	-0.358	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH3+])C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027405736	561855453	/nfs/dbraw/zinc/85/54/53/561855453.db2.gz	VBDNJNFBTTWATB-NPJMLQJUSA-N	2	0	631.823	-0.511	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027406429	561855547	/nfs/dbraw/zinc/85/55/47/561855547.db2.gz	IIZHYHNAOHUTAL-QORCZRPOSA-N	2	0	631.823	-0.462	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027407390	561855742	/nfs/dbraw/zinc/85/57/42/561855742.db2.gz	WEYDYQQPPAJGGM-NHKCCNDQSA-N	2	0	635.786	-0.714	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O	ZINC000027408659	561856057	/nfs/dbraw/zinc/85/60/57/561856057.db2.gz	NALCSWJLDYLRSP-WIGBTLJFSA-N	2	0	649.813	-0.324	1	30		KBEFRP
COc1ccc(C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cc1	ZINC000027409908	561856179	/nfs/dbraw/zinc/85/61/79/561856179.db2.gz	HFRCSHMHTOJNTA-WIGBTLJFSA-N	2	0	647.822	-0.845	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027410032	561856138	/nfs/dbraw/zinc/85/61/38/561856138.db2.gz	RVEQTQIYEKZNGG-IRGGMKSGSA-N	2	0	683.859	-0.908	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027411214	561856435	/nfs/dbraw/zinc/85/64/35/561856435.db2.gz	SSZJMYTUGDCLHT-ZJZGAYNASA-N	2	0	631.823	-0.463	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027411228	561856466	/nfs/dbraw/zinc/85/64/66/561856466.db2.gz	AVBWDBOLHAFBJR-NPJMLQJUSA-N	2	0	631.823	-0.511	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027411824	561856473	/nfs/dbraw/zinc/85/64/73/561856473.db2.gz	GZQYSJMGAGACBO-ZJZGAYNASA-N	2	0	617.796	-0.852	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027413503	561856814	/nfs/dbraw/zinc/85/68/14/561856814.db2.gz	WAJFGSWQJACSHR-NPJMLQJUSA-N	2	0	631.823	-0.463	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027413508	561856826	/nfs/dbraw/zinc/85/68/26/561856826.db2.gz	AKXZUIRQNMGYLA-SVXFZJLFSA-N	2	0	603.769	-0.723	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027413822	561856822	/nfs/dbraw/zinc/85/68/22/561856822.db2.gz	RDZNXWKPFIJVFO-NHKCCNDQSA-N	2	0	652.241	-0.200	1	30		KBEFRP
C[NH2+][C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027420297	561857563	/nfs/dbraw/zinc/85/75/63/561857563.db2.gz	OCQKPCGUTGRLNJ-NPJMLQJUSA-N	2	0	631.823	-0.593	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000027519591	561863178	/nfs/dbraw/zinc/86/31/78/561863178.db2.gz	VLLQTUZQTQRGQL-LVIOGHJBSA-N	2	0	749.914	-0.139	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027550133	561867720	/nfs/dbraw/zinc/86/77/20/561867720.db2.gz	QKWVDPQEOBTMLI-DYFQPDDQSA-N	2	0	735.862	-0.392	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027552374	561868350	/nfs/dbraw/zinc/86/83/50/561868350.db2.gz	VWURTPCZOHAGQI-DYFQPDDQSA-N	2	0	735.862	-0.392	1	30		KBEFRP
Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCCC(N)=O	ZINC000028259154	561912001	/nfs/dbraw/zinc/91/20/01/561912001.db2.gz	VTTYRTQVGKYUDG-VXNXHJTFSA-N	2	0	582.706	-0.864	1	30		KBEFRP
Cc1cccc(C)c1C[C@@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCCC(N)=O	ZINC000028262084	561912357	/nfs/dbraw/zinc/91/23/57/561912357.db2.gz	VTTYRTQVGKYUDG-RBZQAINGSA-N	2	0	582.706	-0.864	1	30		KBEFRP
Cc1cccc(C)c1C[C@@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O	ZINC000028262389	561912320	/nfs/dbraw/zinc/91/23/20/561912320.db2.gz	GKYITRXFIIFDSO-SMIHKQSGSA-N	2	0	566.707	-0.569	1	30		KBEFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O	ZINC000028264828	561912511	/nfs/dbraw/zinc/91/25/11/561912511.db2.gz	NWHQVSLALRZRQM-VXNXHJTFSA-N	2	0	582.706	-0.864	1	30		KBEFRP
Cc1cccc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O	ZINC000028264832	561912497	/nfs/dbraw/zinc/91/24/97/561912497.db2.gz	GKYITRXFIIFDSO-VXNXHJTFSA-N	2	0	566.707	-0.569	1	30		KBEFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000028372024	561918452	/nfs/dbraw/zinc/91/84/52/561918452.db2.gz	QEHLFBPFXMYDCC-VABKMULXSA-N	2	0	523.638	-0.144	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028475989	561928162	/nfs/dbraw/zinc/92/81/62/561928162.db2.gz	OVIZBCMXCJAPHP-PGXSJUQOSA-N	2	0	643.753	-0.761	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028476809	561928273	/nfs/dbraw/zinc/92/82/73/561928273.db2.gz	KHAJTASUXODXRA-IBHPWDLASA-N	2	0	701.829	-0.418	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1	ZINC000028477325	561928533	/nfs/dbraw/zinc/92/85/33/561928533.db2.gz	JKANIVVWNSCSKL-RDPOUHODSA-N	2	0	701.833	-0.217	1	30		KBEFRP
NC(=[NH2+])NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000028477675	561928568	/nfs/dbraw/zinc/92/85/68/561928568.db2.gz	MXKBENUBDBSYCW-GCXHJFECSA-N	2	0	743.870	-0.893	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000028521126	561929220	/nfs/dbraw/zinc/92/92/20/561929220.db2.gz	DBPMDANUVDFSJH-LAJGZZDBSA-N	2	0	715.816	-0.690	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)C(F)(F)F	ZINC000028564786	561935734	/nfs/dbraw/zinc/93/57/34/561935734.db2.gz	ZGBKGECPFATHHB-ZJZGAYNASA-N	3	0	727.834	-0.203	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028564792	561935857	/nfs/dbraw/zinc/93/58/57/561935857.db2.gz	RBOVBMBEVYITQH-QESAQDPVSA-N	2	0	602.741	-0.825	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028564796	561935827	/nfs/dbraw/zinc/93/58/27/561935827.db2.gz	JRRNYLVTYIYDBO-UDIDDNNKSA-N	2	0	574.727	-0.169	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C=O	ZINC000028565073	561935963	/nfs/dbraw/zinc/93/59/63/561935963.db2.gz	JBIGRQUZMUXGNZ-UDIDDNNKSA-N	2	0	574.727	-0.169	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])[C@@H](C)O	ZINC000028565168	561935936	/nfs/dbraw/zinc/93/59/36/561935936.db2.gz	HPIHRIKVVSRQSQ-FFYZIMEISA-N	2	0	604.753	-0.808	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N(C)[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565252	561936057	/nfs/dbraw/zinc/93/60/57/561936057.db2.gz	DZSOKJRJVUDKSN-CQJMVLFOSA-N	3	0	673.864	-0.793	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565303	561936033	/nfs/dbraw/zinc/93/60/33/561936033.db2.gz	NKEDZOVMTKMSJO-ZJZGAYNASA-N	2	0	628.779	-0.758	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028567702	561936897	/nfs/dbraw/zinc/93/68/97/561936897.db2.gz	OQVFEVLBYQCAPN-CQJMVLFOSA-N	3	0	673.864	-0.793	1	30		KBEFRP
CCCC[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])N(C)C(=O)c1ccccc1	ZINC000028567703	561936855	/nfs/dbraw/zinc/93/68/55/561936855.db2.gz	APPIPLVNPHOGCC-CQJMVLFOSA-N	3	0	673.864	-0.793	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029223579	562007570	/nfs/dbraw/zinc/00/75/70/562007570.db2.gz	IUVKJPKJDIOETR-FKBYEOEOSA-N	2	0	544.701	-0.458	1	30		KBEFRP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000029338399	562014639	/nfs/dbraw/zinc/01/46/39/562014639.db2.gz	FKBRSPHHGIKDSZ-JSRHHAARSA-N	3	0	716.848	-0.504	1	30		KBEFRP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]	ZINC000029339862	562015044	/nfs/dbraw/zinc/01/50/44/562015044.db2.gz	KEZPGBIDVCXXJA-JSRHHAARSA-N	3	0	716.848	-0.504	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)COc1ccc2ccccc2c1	ZINC000029340245	562015092	/nfs/dbraw/zinc/01/50/92/562015092.db2.gz	KIOMQCWJCSCFPX-CTNGQTDRSA-N	2	0	555.640	-0.970	1	30		KBEFRP
C/[NH+]=C(\N(C)C)N(C)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000029343156	562015774	/nfs/dbraw/zinc/01/57/74/562015774.db2.gz	SAGCVJKNRQAXAI-IYPCEPNSSA-N	2	0	541.698	-0.617	1	30		KBEFRP
C/[NH+]=C(\N(C)C)N(C)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000029343160	562015734	/nfs/dbraw/zinc/01/57/34/562015734.db2.gz	SAGCVJKNRQAXAI-ZCDWQJTDSA-N	2	0	541.698	-0.617	1	30		KBEFRP
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)C[n+]1ccccc1	ZINC000029409519	562021491	/nfs/dbraw/zinc/02/14/91/562021491.db2.gz	GXLCKYHCKCOHHS-VXNXHJTFSA-O	2	0	536.657	-0.180	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029561243	562033200	/nfs/dbraw/zinc/03/32/00/562033200.db2.gz	PXFSARXQQATMSX-LJWNLINESA-N	2	0	630.750	-0.259	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)COc1ccc2ccccc2c1	ZINC000036140570	562048016	/nfs/dbraw/zinc/04/80/16/562048016.db2.gz	KIOMQCWJCSCFPX-FPOVZHCZSA-N	2	0	555.640	-0.970	1	30		KBEFRP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O	ZINC000036152690	562048395	/nfs/dbraw/zinc/04/83/95/562048395.db2.gz	OYZVNOMEQFCYEV-ACRUOGEOSA-N	2	0	609.176	-0.634	1	30		KBEFRP
CCCCCCCCCC[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000036352015	562059547	/nfs/dbraw/zinc/05/95/47/562059547.db2.gz	MBYDCXYZDTUARP-VXAIIWMZSA-N	2	0	528.647	-0.294	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC[NH3+])NC(=O)Cc1ccccc1	ZINC000040393676	562074129	/nfs/dbraw/zinc/07/41/29/562074129.db2.gz	RBZMSTJYVNMKDQ-ACRUOGEOSA-N	3	0	518.663	-0.986	1	30		KBEFRP
CCN(CCc1ccncc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000040639462	562078683	/nfs/dbraw/zinc/07/86/83/562078683.db2.gz	BLTIVXPEIGWQGC-FCHUYYIVSA-N	2	0	526.642	-0.597	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1	ZINC000040863420	562081090	/nfs/dbraw/zinc/08/10/90/562081090.db2.gz	CAYITTHZMWOCNB-ACRUOGEOSA-N	3	0	518.663	-0.986	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1	ZINC000040957496	562086748	/nfs/dbraw/zinc/08/67/48/562086748.db2.gz	BFRIAAVTFJTDNK-ACRUOGEOSA-N	3	0	518.663	-0.525	1	30		KBEFRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N([C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])S(=O)(=O)c1ccc(C)cc1	ZINC000042804116	562088646	/nfs/dbraw/zinc/08/86/46/562088646.db2.gz	HFXMJPMVMAEZAT-XWGVYQGASA-N	3	0	610.782	-0.409	1	30		KBEFRP
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043322600	562647690	/nfs/dbraw/zinc/64/76/90/562647690.db2.gz	AKVLSTRULXJJDU-FCHUYYIVSA-N	2	0	556.624	-0.127	1	30		KBEFRP
CCN(CCc1ccc([N+](=O)[O-])s1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043322707	562647731	/nfs/dbraw/zinc/64/77/31/562647731.db2.gz	FWSBVUDOFYERMB-UXHICEINSA-N	2	0	618.721	-0.708	1	30		KBEFRP
CCN(CCc1ccc([N+](=O)[O-])o1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043322727	562647718	/nfs/dbraw/zinc/64/77/18/562647718.db2.gz	YPRAPNWVOKQXIK-VQTJNVASSA-N	2	0	560.612	-0.491	1	30		KBEFRP
CCN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043322745	562647745	/nfs/dbraw/zinc/64/77/45/562647745.db2.gz	PYVBGALRXLRBMZ-XZOQPEGZSA-N	2	0	570.651	-0.084	1	30		KBEFRP
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043322766	562647706	/nfs/dbraw/zinc/64/77/06/562647706.db2.gz	FLECRNOKZLWKOL-LEWJYISDSA-N	2	0	556.624	-0.127	1	30		KBEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000043322794	562647747	/nfs/dbraw/zinc/64/77/47/562647747.db2.gz	JXFSPLPZDQAQAO-YTFSRNRJSA-N	2	0	636.676	-0.120	1	30		KBEFRP
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043322805	562647737	/nfs/dbraw/zinc/64/77/37/562647737.db2.gz	FVJIOVUJCNEGPF-RTWAWAEBSA-N	2	0	598.665	-0.812	1	30		KBEFRP
CCN(CCc1ccc(C#N)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043322817	562647726	/nfs/dbraw/zinc/64/77/26/562647726.db2.gz	AIEHHUJYLGLTDN-BJKOFHAPSA-N	2	0	550.664	-0.121	1	30		KBEFRP
CCN(CCc1ccccc1F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043322841	562647741	/nfs/dbraw/zinc/64/77/41/562647741.db2.gz	DPADLQDDOFNSJX-PKTZIBPZSA-N	2	0	585.685	-0.538	1	30		KBEFRP
CCN(CCc1ccc(F)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043322919	562647784	/nfs/dbraw/zinc/64/77/84/562647784.db2.gz	YHOARYQBUGJIRI-PKTZIBPZSA-N	2	0	585.685	-0.538	1	30		KBEFRP
CCN(CCc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043627784	562650267	/nfs/dbraw/zinc/65/02/67/562650267.db2.gz	YHOBVYZGCILVHD-YADHBBJMSA-N	2	0	612.692	-0.769	1	30		KBEFRP
CCN(CCc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043627866	562650323	/nfs/dbraw/zinc/65/03/23/562650323.db2.gz	VZIMPWUWEUEDNH-FCHUYYIVSA-N	2	0	570.651	-0.084	1	30		KBEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000043628055	562650291	/nfs/dbraw/zinc/65/02/91/562650291.db2.gz	RPKZIUAQPPCFRG-YTFSRNRJSA-N	2	0	603.124	-0.485	1	30		KBEFRP
CCN(CCc1ccc([N+](=O)[O-])s1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043640931	562650431	/nfs/dbraw/zinc/65/04/31/562650431.db2.gz	GBLSSWDHCJVWHM-VQTJNVASSA-N	2	0	576.680	-0.023	1	30		KBEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1cccc(F)c1)C(N)=O	ZINC000043640964	562650409	/nfs/dbraw/zinc/65/04/09/562650409.db2.gz	PRNQVCZAOVQLDE-YTFSRNRJSA-N	2	0	586.669	-0.999	1	30		KBEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccccc1F)C(N)=O	ZINC000043640976	562650442	/nfs/dbraw/zinc/65/04/42/562650442.db2.gz	ARUGQDUUJCXFSG-YTFSRNRJSA-N	2	0	586.669	-0.999	1	30		KBEFRP
CCN(CCc1cccs1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043640988	562650433	/nfs/dbraw/zinc/65/04/33/562650433.db2.gz	WRSJOUGRGLZSHG-RTWAWAEBSA-N	2	0	573.724	-0.616	1	30		KBEFRP
CCN(CCc1sccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043641008	562650478	/nfs/dbraw/zinc/65/04/78/562650478.db2.gz	SYOYRCRVFHBFNK-RBUKOAKNSA-N	2	0	576.680	-0.023	1	30		KBEFRP
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043641011	562650486	/nfs/dbraw/zinc/65/04/86/562650486.db2.gz	WCZRJSUHBZRIEW-YADHBBJMSA-N	2	0	598.665	-0.812	1	30		KBEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000043641029	562650489	/nfs/dbraw/zinc/65/04/89/562650489.db2.gz	GMFKHTWVUKKFKW-YTFSRNRJSA-N	2	0	586.669	-0.999	1	30		KBEFRP
CCN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043649029	562650571	/nfs/dbraw/zinc/65/05/71/562650571.db2.gz	SDAXVBKGFQDSKP-PKTZIBPZSA-N	2	0	612.692	-0.769	1	30		KBEFRP
CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000044138432	562652464	/nfs/dbraw/zinc/65/24/64/562652464.db2.gz	ZJEAAXZLWNPTND-YADHBBJMSA-N	2	0	571.658	-0.581	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)Cc1c[nH]cn1	ZINC000044281831	562653262	/nfs/dbraw/zinc/65/32/62/562653262.db2.gz	HTCHIEONGYAJEY-CQJMVLFOSA-N	2	0	640.790	-0.013	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)C=Cc1ccccc1	ZINC000049878687	562690727	/nfs/dbraw/zinc/69/07/27/562690727.db2.gz	KSBWCWPYOHNRDB-DFSKWLJZSA-N	3	0	544.701	-0.126	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1N	ZINC000049881585	562690973	/nfs/dbraw/zinc/69/09/73/562690973.db2.gz	ODVJWTNVNKSNDC-YYWHXJBOSA-N	3	0	533.678	-0.943	1	30		KBEFRP
COc1cccc(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])c1	ZINC000049881713	562691063	/nfs/dbraw/zinc/69/10/63/562691063.db2.gz	USVVPXARINGNQU-PMVMPFDFSA-N	3	0	562.716	-0.588	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1	ZINC000049881714	562691108	/nfs/dbraw/zinc/69/11/08/562691108.db2.gz	SJEROJSJOCUVKE-FKBYEOEOSA-N	3	0	547.705	-0.456	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000068009639	562715646	/nfs/dbraw/zinc/71/56/46/562715646.db2.gz	JBHBNSDPTJEGGW-ZVVXMFRTSA-N	2	0	715.860	-0.810	1	30		KBEFRP
[NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000082170455	562741467	/nfs/dbraw/zinc/74/14/67/562741467.db2.gz	QCBXOMLEINUTBY-UNFRKHOWSA-N	3	0	697.790	-0.470	1	30		KBEFRP
CCN(CCc1ccco1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000095539973	562755415	/nfs/dbraw/zinc/75/54/15/562755415.db2.gz	FBIKUEAUSQFVOK-LEWJYISDSA-N	2	0	515.615	-0.399	1	30		KBEFRP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O	ZINC000095541515	562756157	/nfs/dbraw/zinc/75/61/57/562756157.db2.gz	DRMPICVTICFOSQ-QDNWXXHKSA-N	2	0	808.023	-0.326	1	30		KBEFRP
CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095543941	562757544	/nfs/dbraw/zinc/75/75/44/562757544.db2.gz	WWAYRKCKQJJAQX-IHZBLBIESA-N	2	0	756.913	-0.213	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2ccccc2)NC1=O	ZINC000095606489	562782119	/nfs/dbraw/zinc/78/21/19/562782119.db2.gz	OYPPMYXXWRQGRC-ORYMTKCHSA-N	2	0	806.970	-0.047	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(N)=[NH2+])CC=CC[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000095606682	562782305	/nfs/dbraw/zinc/78/23/05/562782305.db2.gz	GXMNBZLCXQFXET-YNCDFCONSA-N	2	0	769.908	-0.337	1	30		KBEFRP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O	ZINC000095607252	562782675	/nfs/dbraw/zinc/78/26/75/562782675.db2.gz	ZFEYSQRFTCQVQW-QDNWXXHKSA-N	2	0	808.023	-0.326	1	30		KBEFRP
NC(=[NH2+])NCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)CNC1=O	ZINC000095609537	562783802	/nfs/dbraw/zinc/78/38/02/562783802.db2.gz	VVQNNLDBIZYQRT-NPICMPDBSA-N	2	0	811.989	-0.026	1	30		KBEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[N-]S(=O)(=O)C(F)(F)F	ZINC000095612593	562785665	/nfs/dbraw/zinc/78/56/65/562785665.db2.gz	XGJGUPXMOJOGRZ-ZJZGAYNASA-N	2	0	806.914	-0.528	1	30		KBEFRP
CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095613565	562786381	/nfs/dbraw/zinc/78/63/81/562786381.db2.gz	FLOBYZUSYAXMOM-MBEDZMRZSA-N	2	0	770.896	-0.687	1	30		KBEFRP
CCN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000096880871	562796614	/nfs/dbraw/zinc/79/66/14/562796614.db2.gz	ZHAKUUVBHHIFQD-FCHUYYIVSA-N	2	0	526.642	-0.597	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000096902885	562797707	/nfs/dbraw/zinc/79/77/07/562797707.db2.gz	IYLGSJULQPVTHE-QMBHAVLVSA-N	2	0	793.996	-0.108	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096902886	562797699	/nfs/dbraw/zinc/79/76/99/562797699.db2.gz	IYLGSJULQPVTHE-VGPFALITSA-N	2	0	793.996	-0.108	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000096902887	562797716	/nfs/dbraw/zinc/79/77/16/562797716.db2.gz	IYLGSJULQPVTHE-UFQITHBBSA-N	2	0	793.996	-0.108	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000096902888	562797739	/nfs/dbraw/zinc/79/77/39/562797739.db2.gz	IYLGSJULQPVTHE-YABQZJHGSA-N	2	0	793.996	-0.108	1	30		KBEFRP
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)NCC(N)=O	ZINC000096905087	562798459	/nfs/dbraw/zinc/79/84/59/562798459.db2.gz	OTWJVJLUILVCBM-YGXYGYJOSA-N	2	0	781.919	-0.015	1	30		KBEFRP
CCCCCCCCCCn1cncc1C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096929516	562803082	/nfs/dbraw/zinc/80/30/82/562803082.db2.gz	JNPDVWXZEHIABR-VABKMULXSA-N	3	0	606.821	-0.125	1	30		KBEFRP
CCCCCCC/C=C/Cn1cncc1C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096929517	562803079	/nfs/dbraw/zinc/80/30/79/562803079.db2.gz	HFDIMEVJCIQMPD-PTPOIKABSA-N	3	0	604.805	-0.349	1	30		KBEFRP
CCCCCCCC(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000103281557	562823618	/nfs/dbraw/zinc/82/36/18/562823618.db2.gz	DXRAPWREEXXVMJ-NRQZQHSPSA-N	2	0	649.842	-0.550	1	30		KBEFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000137728411	562831495	/nfs/dbraw/zinc/83/14/95/562831495.db2.gz	YHUCQCOKZSACOI-XUJYPJAKSA-N	2	0	640.786	-0.157	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)[O-]	ZINC000144837876	562836669	/nfs/dbraw/zinc/83/66/69/562836669.db2.gz	ATHBVUKBXSKAHW-UFYCRDLUSA-N	2	0	534.662	-0.849	1	30		KBEFRP
[NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O	ZINC000160869741	562849087	/nfs/dbraw/zinc/84/90/87/562849087.db2.gz	QCBXOMLEINUTBY-GCFVYEKYSA-N	3	0	697.790	-0.470	1	30		KBEFRP
[NH3+]CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O	ZINC000160869967	562849060	/nfs/dbraw/zinc/84/90/60/562849060.db2.gz	QCBXOMLEINUTBY-JUDWXZBOSA-N	3	0	697.790	-0.470	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000162689654	562849287	/nfs/dbraw/zinc/84/92/87/562849287.db2.gz	AVNDVFCGYOONJV-LUKCZKMGSA-N	2	0	769.908	-0.618	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000162689791	562849274	/nfs/dbraw/zinc/84/92/74/562849274.db2.gz	OCKLFRUBQIHCJQ-SYJCBOMESA-N	2	0	783.935	-0.228	1	30		KBEFRP
NC(=[NH2+])NCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000162689928	562849282	/nfs/dbraw/zinc/84/92/82/562849282.db2.gz	AVNDVFCGYOONJV-OXFURMMHSA-N	2	0	769.908	-0.618	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000162690077	562849281	/nfs/dbraw/zinc/84/92/81/562849281.db2.gz	AVNDVFCGYOONJV-FXSYQQGGSA-N	2	0	769.908	-0.618	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000162690198	562849286	/nfs/dbraw/zinc/84/92/86/562849286.db2.gz	OCKLFRUBQIHCJQ-NKVOBILMSA-N	2	0	783.935	-0.228	1	30		KBEFRP
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169319187	562856160	/nfs/dbraw/zinc/85/61/60/562856160.db2.gz	QYYWZPHESRMBSY-PXKUSVDWSA-N	2	0	779.919	-0.082	1	30		KBEFRP
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169319195	562856176	/nfs/dbraw/zinc/85/61/76/562856176.db2.gz	ZDNNKHMQWSYVIN-YFMBLBJJSA-N	2	0	765.892	-0.472	1	30		KBEFRP
CC(=O)N(CC(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)C(=O)C=Cc1ccccc1	ZINC000169319516	562856233	/nfs/dbraw/zinc/85/62/33/562856233.db2.gz	SCOLCQXYVHRTDF-RGQLKLRFSA-N	2	0	719.848	-0.338	1	30		KBEFRP
CC(=O)N(C(=O)CCC[NH3+])[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169326479	562857792	/nfs/dbraw/zinc/85/77/92/562857792.db2.gz	KOCOYEVPFGNWFI-KRCBVYEFSA-N	3	0	782.923	-0.562	1	30		KBEFRP
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000169328028	562858262	/nfs/dbraw/zinc/85/82/62/562858262.db2.gz	ZPISLHCGMUIKGZ-GSDHBNRESA-N	2	0	676.779	-0.136	1	30		KBEFRP
COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])c1	ZINC000203342907	562873964	/nfs/dbraw/zinc/87/39/64/562873964.db2.gz	YYTJDRZHSJNSCS-DUXKGJEZSA-N	3	0	571.731	-0.141	1	30		KBEFRP
COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1	ZINC000203344942	562873970	/nfs/dbraw/zinc/87/39/70/562873970.db2.gz	YYTJDRZHSJNSCS-QMMLZNLJSA-N	3	0	571.731	-0.141	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000205811233	562875951	/nfs/dbraw/zinc/87/59/51/562875951.db2.gz	PBHZMYCALDXPJH-XSHDJKFSSA-N	2	0	775.981	-0.021	1	30		KBEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000205811261	562875949	/nfs/dbraw/zinc/87/59/49/562875949.db2.gz	PBHZMYCALDXPJH-HQSRJMBESA-N	2	0	775.981	-0.021	1	30		KBEFRP
N#Cc1ccc(C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2ccccc2)C(N)=O)cc1	ZINC000299824597	562883321	/nfs/dbraw/zinc/88/33/21/562883321.db2.gz	WFOWSIJOTYUKBT-HJOGWXRNSA-N	2	0	577.690	-0.253	1	30		KBEFRP
CC(=O)N[C@@H](CCCO/N=C/c1c[nH+]ccc1N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O	ZINC000299868461	562895157	/nfs/dbraw/zinc/89/51/57/562895157.db2.gz	RKMYJANJDQJEPD-ARHCPGRDSA-N	2	0	663.777	-0.721	1	30		KBEFRP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCNC(N)=[NH2+])n3cc([C@@H]([NH3+])[C@@H](C)CC)nn3)CC2)n1	ZINC000072134887	562727378	/nfs/dbraw/zinc/72/73/78/562727378.db2.gz	QUXMFVUHBBSVLK-MYKRZTLLSA-N	2	0	728.904	-0.616	3	30		KBEFRP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCNC(N)=[NH2+])n3cc([C@H]([NH3+])[C@@H](C)CC)nn3)CC2)n1	ZINC000072134888	562727409	/nfs/dbraw/zinc/72/74/09/562727409.db2.gz	QUXMFVUHBBSVLK-RZDMPUFOSA-N	2	0	728.904	-0.616	3	30		KBEFRP