smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[NH2+]C[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O	ZINC000026477348	561791342	/nfs/dbraw/zinc/79/13/42/561791342.db2.gz	BIXAXSICRKZREV-PMVMPFDFSA-N	2	2	558.705	-0.582	1	0		KBAFLP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026579327	561804533	/nfs/dbraw/zinc/80/45/33/561804533.db2.gz	RQIFYTAAHPOYSP-KRCBVYEFSA-N	2	2	729.843	-0.621	1	0		KBAFLP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026579327	561804531	/nfs/dbraw/zinc/80/45/31/561804531.db2.gz	RQIFYTAAHPOYSP-KRCBVYEFSA-N	2	2	729.843	-0.621	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026828757	561822536	/nfs/dbraw/zinc/82/25/36/561822536.db2.gz	FGCBZBMPOFJXID-FKWFRFQNSA-N	2	2	701.789	-0.668	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026828757	561822535	/nfs/dbraw/zinc/82/25/35/561822535.db2.gz	FGCBZBMPOFJXID-FKWFRFQNSA-N	2	2	701.789	-0.668	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)NCc1ccccc1	ZINC000027562468	561870971	/nfs/dbraw/zinc/87/09/71/561870971.db2.gz	VQGQHRLYXULVQP-IBLGPQJPSA-N	2	2	681.839	-0.121	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)NCc1ccccc1	ZINC000027562468	561870969	/nfs/dbraw/zinc/87/09/69/561870969.db2.gz	VQGQHRLYXULVQP-IBLGPQJPSA-N	2	2	681.839	-0.121	1	0		KBAFLP
C[C@H](O)[C@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH2+]CC1=O	ZINC000027628565	561873482	/nfs/dbraw/zinc/87/34/82/561873482.db2.gz	AWABUUOAMARJEY-NSXJLANOSA-N	2	2	744.894	-0.046	1	0		KBAFLP
C[C@H](O)[C@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)[NH2+]CC1=O	ZINC000027644046	561875569	/nfs/dbraw/zinc/87/55/69/561875569.db2.gz	AWABUUOAMARJEY-NIHNBHABSA-N	2	2	744.894	-0.046	1	0		KBAFLP
Nc1nc(N)[nH+]c(NCCC[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]CCCNc2nc(N)[nH+]c(N)n2)n1	ZINC000027879901	561888923	/nfs/dbraw/zinc/88/89/23/561888923.db2.gz	RVRGRLNLVBHFQV-UHFFFAOYSA-N	6	2	576.803	-0.221	1	0		KBAFLP
Nc1nc(NCCC[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]CCCNc2nc(N)[nH+]c(N)n2)nc(N)[nH+]1	ZINC000027879901	561888922	/nfs/dbraw/zinc/88/89/22/561888922.db2.gz	RVRGRLNLVBHFQV-UHFFFAOYSA-N	6	2	576.803	-0.221	1	0		KBAFLP
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCC([NH3+])[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1	ZINC000028090078	561899801	/nfs/dbraw/zinc/89/98/01/561899801.db2.gz	FRLQEUMXNASERI-OSIQOQRZSA-N	2	2	639.754	-0.513	1	0		KBAFLP
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1	ZINC000028099832	561901356	/nfs/dbraw/zinc/90/13/56/561901356.db2.gz	QLJRPWWYJIGTIM-OZDPOCAXSA-N	2	2	649.749	-0.127	1	0		KBAFLP
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1	ZINC000028099832	561901355	/nfs/dbraw/zinc/90/13/55/561901355.db2.gz	QLJRPWWYJIGTIM-OZDPOCAXSA-N	2	2	649.749	-0.127	1	0		KBAFLP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH+](CCOCCOCC[NH3+])CC1	ZINC000028643804	561944255	/nfs/dbraw/zinc/94/42/55/561944255.db2.gz	QESHLZJJOYTWEQ-FQEVSTJZSA-N	3	2	581.662	-0.248	1	0		KBAFLP
NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000028713967	561954194	/nfs/dbraw/zinc/95/41/94/561954194.db2.gz	KEGNDIMOQVJQTF-QORCZRPOSA-N	2	2	561.643	-0.084	1	0		KBAFLP
NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000028713967	561954192	/nfs/dbraw/zinc/95/41/92/561954192.db2.gz	KEGNDIMOQVJQTF-QORCZRPOSA-N	2	2	561.643	-0.084	1	0		KBAFLP
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)CC(N)=O	ZINC000028756176	561956030	/nfs/dbraw/zinc/95/60/30/561956030.db2.gz	INIPXLSQVATMRA-HTUFRPJOSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)CC(N)=O	ZINC000028756176	561956029	/nfs/dbraw/zinc/95/60/29/561956029.db2.gz	INIPXLSQVATMRA-HTUFRPJOSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)CC(N)=O	ZINC000028756178	561956070	/nfs/dbraw/zinc/95/60/70/561956070.db2.gz	INIPXLSQVATMRA-LSBAASHUSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)CC(N)=O	ZINC000028756178	561956069	/nfs/dbraw/zinc/95/60/69/561956069.db2.gz	INIPXLSQVATMRA-LSBAASHUSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@H](O)CC(N)=O	ZINC000028756180	561956051	/nfs/dbraw/zinc/95/60/51/561956051.db2.gz	INIPXLSQVATMRA-VHJOFQCFSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@H](O)CC(N)=O	ZINC000028756180	561956050	/nfs/dbraw/zinc/95/60/50/561956050.db2.gz	INIPXLSQVATMRA-VHJOFQCFSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@H](O)CC(N)=O	ZINC000028756182	561956040	/nfs/dbraw/zinc/95/60/40/561956040.db2.gz	INIPXLSQVATMRA-QCCYXRBGSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)[C@H](O)CC(N)=O	ZINC000028756182	561956039	/nfs/dbraw/zinc/95/60/39/561956039.db2.gz	INIPXLSQVATMRA-QCCYXRBGSA-N	2	2	555.680	-0.316	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000029464356	562023703	/nfs/dbraw/zinc/02/37/03/562023703.db2.gz	DFCJPPDAOZROBS-FKWFRFQNSA-N	2	2	685.790	-0.373	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000029464356	562023699	/nfs/dbraw/zinc/02/36/99/562023699.db2.gz	DFCJPPDAOZROBS-FKWFRFQNSA-N	2	2	685.790	-0.373	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)NCc1ccccc1	ZINC000029479440	562026869	/nfs/dbraw/zinc/02/68/69/562026869.db2.gz	VQGQHRLYXULVQP-BTZUNAOZSA-N	2	2	681.839	-0.121	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)NCc1ccccc1	ZINC000029479440	562026868	/nfs/dbraw/zinc/02/68/68/562026868.db2.gz	VQGQHRLYXULVQP-BTZUNAOZSA-N	2	2	681.839	-0.121	1	0		KBAFLP
COc1cccc(CNS(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CC[NH+](CCO)CC2)c1OC	ZINC000029564017	562033992	/nfs/dbraw/zinc/03/39/92/562033992.db2.gz	MCGHMSKEUCQJSD-NRFANRHFSA-N	2	2	548.666	-0.340	1	0		KBAFLP
COc1cccc(CNS(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CC[NH+](CCO)CC2)c1OC	ZINC000029564021	562033999	/nfs/dbraw/zinc/03/39/99/562033999.db2.gz	MCGHMSKEUCQJSD-OAQYLSRUSA-N	2	2	548.666	-0.340	1	0		KBAFLP
c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)nc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c1	ZINC000032011484	562036692	/nfs/dbraw/zinc/03/66/92/562036692.db2.gz	BKJDPXSXCZMISN-UHFFFAOYSA-N	4	2	503.784	-0.189	1	0		KBAFLP
c1ncc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc1CN1CCC[NH2+]CCNCCC[NH2+]CC1	ZINC000032011485	562036744	/nfs/dbraw/zinc/03/67/44/562036744.db2.gz	PKTIKIGPTFPMNI-UHFFFAOYSA-N	4	2	503.784	-0.189	1	0		KBAFLP
COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCCC[NH3+])NC(=O)CCc1ccccc1	ZINC000049034144	562663491	/nfs/dbraw/zinc/66/34/91/562663491.db2.gz	OXIXIULCZXRPFG-ACRUOGEOSA-N	2	2	516.599	-0.666	1	0		KBAFLP
COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCCC[NH3+])NC(=O)CCc1ccccc1	ZINC000049034144	562663490	/nfs/dbraw/zinc/66/34/90/562663490.db2.gz	OXIXIULCZXRPFG-ACRUOGEOSA-N	2	2	516.599	-0.666	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cccc(O)c1)C(N)=O	ZINC000049677740	562668354	/nfs/dbraw/zinc/66/83/54/562668354.db2.gz	XGZXJUMOERBFRF-SDHSZQHLSA-N	2	2	605.700	-0.264	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O	ZINC000049677740	562668353	/nfs/dbraw/zinc/66/83/53/562668353.db2.gz	XGZXJUMOERBFRF-SDHSZQHLSA-N	2	2	605.700	-0.264	1	0		KBAFLP
CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000049677921	562668407	/nfs/dbraw/zinc/66/84/07/562668407.db2.gz	YRRSGAOLFCVSOV-ULPUTHISSA-N	2	2	644.737	-0.425	1	0		KBAFLP
CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000049677921	562668406	/nfs/dbraw/zinc/66/84/06/562668406.db2.gz	YRRSGAOLFCVSOV-ULPUTHISSA-N	2	2	644.737	-0.425	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccc2c(c1)OCO2)C(N)=O	ZINC000049678716	562668635	/nfs/dbraw/zinc/66/86/35/562668635.db2.gz	JHFQXGKRYPWBNG-ZDOICQRQSA-N	2	2	631.694	-0.160	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccc2c(c1)OCO2)C(N)=O	ZINC000049678716	562668634	/nfs/dbraw/zinc/66/86/34/562668634.db2.gz	JHFQXGKRYPWBNG-ZDOICQRQSA-N	2	2	631.694	-0.160	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)OCO2)C(N)=O	ZINC000049678860	562668723	/nfs/dbraw/zinc/66/87/23/562668723.db2.gz	HTPHOYZWPBUSID-VSKRKVRLSA-N	2	2	605.656	-0.560	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)OCO2)C(N)=O	ZINC000049678860	562668722	/nfs/dbraw/zinc/66/87/22/562668722.db2.gz	HTPHOYZWPBUSID-VSKRKVRLSA-N	2	2	605.656	-0.560	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O	ZINC000049679053	562668764	/nfs/dbraw/zinc/66/87/64/562668764.db2.gz	IIIAOCIDACPBMN-OYRHQHFDSA-N	2	2	616.683	-0.101	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O	ZINC000049679053	562668763	/nfs/dbraw/zinc/66/87/63/562668763.db2.gz	IIIAOCIDACPBMN-OYRHQHFDSA-N	2	2	616.683	-0.101	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cccnc1)C(N)=O	ZINC000049679243	562668804	/nfs/dbraw/zinc/66/88/04/562668804.db2.gz	HDXPWDNKBCBFCM-SMIHKQSGSA-N	2	2	590.689	-0.574	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cccnc1)C(N)=O	ZINC000049679243	562668803	/nfs/dbraw/zinc/66/88/03/562668803.db2.gz	HDXPWDNKBCBFCM-SMIHKQSGSA-N	2	2	590.689	-0.574	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(O)cc1)C(N)=O	ZINC000049679320	562668852	/nfs/dbraw/zinc/66/88/52/562668852.db2.gz	FYUIPKSDJUFFLG-SDHSZQHLSA-N	2	2	605.700	-0.264	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O	ZINC000049679320	562668851	/nfs/dbraw/zinc/66/88/51/562668851.db2.gz	FYUIPKSDJUFFLG-SDHSZQHLSA-N	2	2	605.700	-0.264	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O	ZINC000049694483	562669388	/nfs/dbraw/zinc/66/93/88/562669388.db2.gz	WVGXIMGLLVHHQR-FULHUOFVSA-N	2	2	603.684	-0.183	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O	ZINC000049694483	562669387	/nfs/dbraw/zinc/66/93/87/562669387.db2.gz	WVGXIMGLLVHHQR-FULHUOFVSA-N	2	2	603.684	-0.183	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O	ZINC000049694582	562669502	/nfs/dbraw/zinc/66/95/02/562669502.db2.gz	UXZKJVKZYBANRZ-ZUQJSNLJSA-N	2	2	603.684	-0.183	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O	ZINC000049694582	562669501	/nfs/dbraw/zinc/66/95/01/562669501.db2.gz	UXZKJVKZYBANRZ-ZUQJSNLJSA-N	2	2	603.684	-0.183	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cccc2c1OCO2)C(N)=O	ZINC000049694880	562669912	/nfs/dbraw/zinc/66/99/12/562669912.db2.gz	XLRDDIVPVKGCSM-SMIHKQSGSA-N	2	2	633.710	-0.241	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cccc2c1OCO2)C(N)=O	ZINC000049694880	562669911	/nfs/dbraw/zinc/66/99/11/562669911.db2.gz	XLRDDIVPVKGCSM-SMIHKQSGSA-N	2	2	633.710	-0.241	1	0		KBAFLP
COC(=O)[C@H](CCCNC(N)=[NH2+])[NH2+]C[C@@H]1O[C@H](CC(=O)NC[C@@H](C)OC(C)=O)[C@@H]2OC(C)(C)O[C@H]12	ZINC000049784752	562683778	/nfs/dbraw/zinc/68/37/78/562683778.db2.gz	PLXFEEHKSRKNRS-LEHSPDMJSA-N	2	2	501.581	-0.874	1	0		KBAFLP
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CCC[NH3+])C(=O)NCc1ccc(Nc2cc[nH+]c3c(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cccc23)cc1	ZINC000049803924	562686271	/nfs/dbraw/zinc/68/62/71/562686271.db2.gz	IYBASWWOCJOLGA-YCVJPRETSA-N	3	2	719.848	-0.202	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049823135	562687014	/nfs/dbraw/zinc/68/70/14/562687014.db2.gz	PWNJSQCLUARPLM-FKWFRFQNSA-N	2	2	703.780	-0.234	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049823135	562687013	/nfs/dbraw/zinc/68/70/13/562687013.db2.gz	PWNJSQCLUARPLM-FKWFRFQNSA-N	2	2	703.780	-0.234	1	0		KBAFLP
CC(=S)NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000049833238	562687601	/nfs/dbraw/zinc/68/76/01/562687601.db2.gz	OEIMARJIXOFKDN-NHKCCNDQSA-N	2	2	653.851	-0.395	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000049841491	562688423	/nfs/dbraw/zinc/68/84/23/562688423.db2.gz	UAAJEFWKPVVRBT-JSDGYEMZSA-N	2	2	741.895	-0.982	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000049841491	562688422	/nfs/dbraw/zinc/68/84/22/562688422.db2.gz	UAAJEFWKPVVRBT-JSDGYEMZSA-N	2	2	741.895	-0.982	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049889438	562692098	/nfs/dbraw/zinc/69/20/98/562692098.db2.gz	NBONRIOTXHNHPH-ZXYZSCNASA-N	2	2	699.817	-0.065	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049889438	562692097	/nfs/dbraw/zinc/69/20/97/562692097.db2.gz	NBONRIOTXHNHPH-ZXYZSCNASA-N	2	2	699.817	-0.065	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000049898510	562692607	/nfs/dbraw/zinc/69/26/07/562692607.db2.gz	UZPBFJKTKLBILR-RSYUGDCRSA-N	2	2	671.891	-0.688	1	0		KBAFLP
NC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072118648	562723589	/nfs/dbraw/zinc/72/35/89/562723589.db2.gz	QRWBNHAFSFKWKF-AQNXPRMDSA-N	2	2	508.583	-0.814	1	0		KBAFLP
NC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072118648	562723588	/nfs/dbraw/zinc/72/35/88/562723588.db2.gz	QRWBNHAFSFKWKF-AQNXPRMDSA-N	2	2	508.583	-0.814	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)[NH2+]Cc1ccc(C(N)=[NH2+])cc1	ZINC000072142628	562729550	/nfs/dbraw/zinc/72/95/50/562729550.db2.gz	AKONMZDZNATZKC-UXHICEINSA-N	3	2	503.629	-0.258	1	0		KBAFLP
C[C@@H](O)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]([C@@H](C)O)[NH+](C)C)C(N)=O)[NH+](C)C	ZINC000084708443	562750171	/nfs/dbraw/zinc/75/01/71/562750171.db2.gz	CPVLNYGREUOMLZ-PKPQBTETSA-N	2	2	721.900	-0.228	1	0		KBAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000085589305	574048972	/nfs/dbraw/zinc/04/89/72/574048972.db2.gz	CCANVONJZOLPKG-MJXUZWQSSA-N	2	2	718.816	-0.736	1	0	endogenous,in-man	KBAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000085589305	574048971	/nfs/dbraw/zinc/04/89/71/574048971.db2.gz	CCANVONJZOLPKG-MJXUZWQSSA-N	2	2	718.816	-0.736	1	0	endogenous,in-man	KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095547374	562758699	/nfs/dbraw/zinc/75/86/99/562758699.db2.gz	DPRUDGOHUWTPRM-KELWCDABSA-N	2	2	814.974	-0.429	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095547374	562758698	/nfs/dbraw/zinc/75/86/98/562758698.db2.gz	DPRUDGOHUWTPRM-KELWCDABSA-N	2	2	814.974	-0.429	1	0		KBAFLP
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)N1CCCN1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000095553626	562760984	/nfs/dbraw/zinc/76/09/84/562760984.db2.gz	AKLWZCFAFVCJDE-FAFCAGHDSA-N	3	2	784.923	-0.138	1	0		KBAFLP
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000095554700	562761410	/nfs/dbraw/zinc/76/14/10/562761410.db2.gz	PLVLNQXPBPJKEB-ORYMTKCHSA-N	3	2	808.942	-0.337	1	0		KBAFLP
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000095554700	562761409	/nfs/dbraw/zinc/76/14/09/562761409.db2.gz	PLVLNQXPBPJKEB-ORYMTKCHSA-N	3	2	808.942	-0.337	1	0		KBAFLP
NC(=[NH2+])NCC[C@@H]([NH3+])C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccccc1	ZINC000095593370	562776241	/nfs/dbraw/zinc/77/62/41/562776241.db2.gz	SMAWIOJONBFWHL-RPWUZVMVSA-N	3	2	589.786	-0.267	1	0		KBAFLP
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000095605978	562781831	/nfs/dbraw/zinc/78/18/31/562781831.db2.gz	OHFBCDFWQFKELV-KNIQQNQGSA-N	2	2	748.882	-0.190	1	0		KBAFLP
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000095605978	562781830	/nfs/dbraw/zinc/78/18/30/562781830.db2.gz	OHFBCDFWQFKELV-KNIQQNQGSA-N	2	2	748.882	-0.190	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608330	562783497	/nfs/dbraw/zinc/78/34/97/562783497.db2.gz	CQKVNPXXMLGRSE-UZYORVLWSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608330	562783496	/nfs/dbraw/zinc/78/34/96/562783496.db2.gz	CQKVNPXXMLGRSE-UZYORVLWSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608331	562783502	/nfs/dbraw/zinc/78/35/02/562783502.db2.gz	CQKVNPXXMLGRSE-CYEGLCQHSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608331	562783501	/nfs/dbraw/zinc/78/35/01/562783501.db2.gz	CQKVNPXXMLGRSE-CYEGLCQHSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608332	562783485	/nfs/dbraw/zinc/78/34/85/562783485.db2.gz	CQKVNPXXMLGRSE-LNALEXQMSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608332	562783484	/nfs/dbraw/zinc/78/34/84/562783484.db2.gz	CQKVNPXXMLGRSE-LNALEXQMSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608333	562783467	/nfs/dbraw/zinc/78/34/67/562783467.db2.gz	CQKVNPXXMLGRSE-GGJJTXTCSA-N	2	2	760.959	-0.003	1	0		KBAFLP
[NH3+]CC[C@@H]1CN(C(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1	ZINC000095608333	562783466	/nfs/dbraw/zinc/78/34/66/562783466.db2.gz	CQKVNPXXMLGRSE-GGJJTXTCSA-N	2	2	760.959	-0.003	1	0		KBAFLP
NC(=[NH2+])c1ccc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1	ZINC000096168449	562790629	/nfs/dbraw/zinc/79/06/29/562790629.db2.gz	LEHTWFAAQZWNNG-SFTDATJTSA-N	2	2	527.607	-0.482	1	0		KBAFLP
NC(=[NH2+])c1ccc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1	ZINC000096168449	562790628	/nfs/dbraw/zinc/79/06/28/562790628.db2.gz	LEHTWFAAQZWNNG-SFTDATJTSA-N	2	2	527.607	-0.482	1	0		KBAFLP
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000096318536	562796548	/nfs/dbraw/zinc/79/65/48/562796548.db2.gz	MDRZLPSBYOQZRA-QORCZRPOSA-N	2	2	561.643	-0.084	1	0		KBAFLP
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000096318536	562796547	/nfs/dbraw/zinc/79/65/47/562796547.db2.gz	MDRZLPSBYOQZRA-QORCZRPOSA-N	2	2	561.643	-0.084	1	0		KBAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]cn1CCCC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096913570	562800297	/nfs/dbraw/zinc/80/02/97/562800297.db2.gz	IMBMLTKQRYUORJ-FKBYEOEOSA-N	4	2	590.778	-0.905	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O	ZINC000169328359	562858325	/nfs/dbraw/zinc/85/83/25/562858325.db2.gz	MJOBRIQZHYBCLQ-QKUYTOGTSA-N	2	2	805.041	-0.181	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O	ZINC000169328359	562858324	/nfs/dbraw/zinc/85/83/24/562858324.db2.gz	MJOBRIQZHYBCLQ-QKUYTOGTSA-N	2	2	805.041	-0.181	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O	ZINC000169330864	562858760	/nfs/dbraw/zinc/85/87/60/562858760.db2.gz	TXITYOAGVQHQKZ-IRGGMKSGSA-N	2	2	738.957	-0.755	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O	ZINC000169330864	562858759	/nfs/dbraw/zinc/85/87/59/562858759.db2.gz	TXITYOAGVQHQKZ-IRGGMKSGSA-N	2	2	738.957	-0.755	1	0		KBAFLP
COC(=O)CCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O	ZINC000169330865	562858785	/nfs/dbraw/zinc/85/87/85/562858785.db2.gz	IARNGNDUVMUAJH-XLIKFSOKSA-N	2	2	753.968	-0.067	1	0		KBAFLP
COC(=O)CCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O	ZINC000169330865	562858784	/nfs/dbraw/zinc/85/87/84/562858784.db2.gz	IARNGNDUVMUAJH-XLIKFSOKSA-N	2	2	753.968	-0.067	1	0		KBAFLP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1	ZINC000169335884	562859738	/nfs/dbraw/zinc/85/97/38/562859738.db2.gz	ZUKXHHUJHDEOOA-VABKMULXSA-N	3	2	656.793	-0.342	1	0		KBAFLP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1	ZINC000169335884	562859737	/nfs/dbraw/zinc/85/97/37/562859737.db2.gz	ZUKXHHUJHDEOOA-VABKMULXSA-N	3	2	656.793	-0.342	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000169348379	562862215	/nfs/dbraw/zinc/86/22/15/562862215.db2.gz	IOKBTENKKDRKSV-NFGXINMFSA-N	2	2	681.198	-0.201	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000169348379	562862214	/nfs/dbraw/zinc/86/22/14/562862214.db2.gz	IOKBTENKKDRKSV-NFGXINMFSA-N	2	2	681.198	-0.201	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000169348380	562862219	/nfs/dbraw/zinc/86/22/19/562862219.db2.gz	IOKBTENKKDRKSV-YAOOYPAMSA-N	2	2	681.198	-0.201	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000169348380	562862218	/nfs/dbraw/zinc/86/22/18/562862218.db2.gz	IOKBTENKKDRKSV-YAOOYPAMSA-N	2	2	681.198	-0.201	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O	ZINC000169348386	562862226	/nfs/dbraw/zinc/86/22/26/562862226.db2.gz	SIBPXRLRJTXMHN-NFGXINMFSA-N	2	2	772.649	-0.250	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O	ZINC000169348386	562862225	/nfs/dbraw/zinc/86/22/25/562862225.db2.gz	SIBPXRLRJTXMHN-NFGXINMFSA-N	2	2	772.649	-0.250	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000169349500	562862608	/nfs/dbraw/zinc/86/26/08/562862608.db2.gz	OSEXSABCCQOXJC-ZVBOOHQUSA-N	2	2	784.660	-0.024	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000169349500	562862607	/nfs/dbraw/zinc/86/26/07/562862607.db2.gz	OSEXSABCCQOXJC-ZVBOOHQUSA-N	2	2	784.660	-0.024	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000169349501	562862594	/nfs/dbraw/zinc/86/25/94/562862594.db2.gz	OSEXSABCCQOXJC-PUHABZHSSA-N	2	2	784.660	-0.024	1	0		KBAFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000169349501	562862593	/nfs/dbraw/zinc/86/25/93/562862593.db2.gz	OSEXSABCCQOXJC-PUHABZHSSA-N	2	2	784.660	-0.024	1	0		KBAFLP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000299838420	562887858	/nfs/dbraw/zinc/88/78/58/562887858.db2.gz	QNGSZDJLWYVTQN-MLCQCVOFSA-N	3	2	661.834	-0.311	1	0		KBAFLP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000299838420	562887857	/nfs/dbraw/zinc/88/78/57/562887857.db2.gz	QNGSZDJLWYVTQN-MLCQCVOFSA-N	3	2	661.834	-0.311	1	0		KBAFLP
CC1=NNC(=S)NCCCN2CC[NH+](CC2)CCCNC(=S)NN=C(C)C=NNC(=S)NCCC[NH+]2CCN(CC2)CCCNC(=S)NN=C1	ZINC000299844063	562889112	/nfs/dbraw/zinc/88/91/12/562889112.db2.gz	CSPIUSACYPPDGM-LRYRTMKTSA-N	2	2	769.158	-0.625	1	0		KBAFLP
CC1=NNC(=S)NCCCN2CC[NH+](CC2)CCCNC(=S)NN=C(C)C=NNC(=S)NCCCN2CC[NH+](CC2)CCCNC(=S)NN=C1	ZINC000299844063	562889111	/nfs/dbraw/zinc/88/91/11/562889111.db2.gz	CSPIUSACYPPDGM-LRYRTMKTSA-N	2	2	769.158	-0.625	1	0		KBAFLP
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C[NH+](C)C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000299863802	562893974	/nfs/dbraw/zinc/89/39/74/562893974.db2.gz	LNTXENPXXNDZQX-IYBBNNOUSA-N	2	2	661.849	-0.201	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000474609009	562905570	/nfs/dbraw/zinc/90/55/70/562905570.db2.gz	NNNPJYXSWMWIIU-LROMGURASA-N	2	2	697.904	-0.462	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C(N)=O	ZINC000653740458	562910137	/nfs/dbraw/zinc/91/01/37/562910137.db2.gz	PKQZWUNVYCCIES-XLIKFSOKSA-N	2	2	755.025	-0.083	1	0		KBAFLP
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C(N)=O	ZINC000653740458	562910136	/nfs/dbraw/zinc/91/01/36/562910136.db2.gz	PKQZWUNVYCCIES-XLIKFSOKSA-N	2	2	755.025	-0.083	1	0		KBAFLP
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]2CCC[N@H+]2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000653880652	562916718	/nfs/dbraw/zinc/91/67/18/562916718.db2.gz	FCMJAQWJVOXOEB-KESUXUJOSA-N	2	2	622.812	-0.982	1	0		KBAFLP
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]2CCC[N@@H+]2[C@H](C(=O)NC(C)(C)C)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000653880652	562916717	/nfs/dbraw/zinc/91/67/17/562916717.db2.gz	FCMJAQWJVOXOEB-KESUXUJOSA-N	2	2	622.812	-0.982	1	0		KBAFLP