smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954404	561746940	/nfs/dbraw/zinc/74/69/40/561746940.db2.gz	QRBIRSCLEVEODD-VSKRKVRLSA-N	2	0	549.701	1.839	1	30		KDEFRP
C[NH2+][C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954412	561746932	/nfs/dbraw/zinc/74/69/32/561746932.db2.gz	YNHVSTZIXAQDDS-BDTNDASRSA-N	2	0	567.691	1.978	1	30		KDEFRP
C[NH2+][C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954416	561746945	/nfs/dbraw/zinc/74/69/45/561746945.db2.gz	YNHVSTZIXAQDDS-VSKRKVRLSA-N	2	0	567.691	1.978	1	30		KDEFRP
C[C@@]([NH3+])(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954445	561747005	/nfs/dbraw/zinc/74/70/05/561747005.db2.gz	PSMQXPWUXHJZAF-YHGPEZAFSA-N	2	0	549.701	1.969	1	30		KDEFRP
C[NH2+][C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)c1ccccc1	ZINC000014954480	561747029	/nfs/dbraw/zinc/74/70/29/561747029.db2.gz	JFQDTXIAKGVOKU-RZUBCFFCSA-N	2	0	535.674	1.969	1	30		KDEFRP
C[NH2+]C1(C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c2nc3ccccc3s2)CCCCC1	ZINC000014954489	561746982	/nfs/dbraw/zinc/74/69/82/561746982.db2.gz	PGNYFNNGKFDODI-MOPGFXCFSA-N	2	0	527.695	1.931	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@@H](O)c1nc2ccccc2s1	ZINC000014954596	561747157	/nfs/dbraw/zinc/74/71/57/561747157.db2.gz	AVOZCLSHEAQFBI-HYVLGVRCSA-N	2	0	551.717	1.690	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2[nH]1	ZINC000014954621	561747116	/nfs/dbraw/zinc/74/71/16/561747116.db2.gz	DPKBODMBRLVNFI-ZRBLBEILSA-N	2	0	532.649	1.106	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2[nH]1	ZINC000014954627	561747145	/nfs/dbraw/zinc/74/71/45/561747145.db2.gz	DPKBODMBRLVNFI-ZLNRFVROSA-N	2	0	532.649	1.106	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2n1C	ZINC000014954635	561747159	/nfs/dbraw/zinc/74/71/59/561747159.db2.gz	QMYCSIPHSWKVGL-AKFKNWHVSA-N	2	0	546.676	1.116	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2o1	ZINC000014954639	561747130	/nfs/dbraw/zinc/74/71/30/561747130.db2.gz	DSRYOPYBUYZKDD-BDTNDASRSA-N	2	0	533.633	1.371	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2c(s1)CCCC2	ZINC000014954678	561747106	/nfs/dbraw/zinc/74/71/06/561747106.db2.gz	PACZQPQCHDGDJM-BDTNDASRSA-N	2	0	553.733	1.565	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2c(s1)CCCC2	ZINC000014954682	561747153	/nfs/dbraw/zinc/74/71/53/561747153.db2.gz	PACZQPQCHDGDJM-VSKRKVRLSA-N	2	0	553.733	1.565	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(OC)cc2s1	ZINC000014954695	561747111	/nfs/dbraw/zinc/74/71/11/561747111.db2.gz	AWDHQUNSUCYGTH-ZRBLBEILSA-N	2	0	579.727	1.848	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(OC)cc2s1	ZINC000014954700	561747171	/nfs/dbraw/zinc/74/71/71/561747171.db2.gz	AWDHQUNSUCYGTH-ZLNRFVROSA-N	2	0	579.727	1.848	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(O)cc2s1	ZINC000014954704	561747175	/nfs/dbraw/zinc/74/71/75/561747175.db2.gz	VYEGWKYQXSFSSO-BDTNDASRSA-N	2	0	565.700	1.545	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(O)cc2s1	ZINC000014954709	561747133	/nfs/dbraw/zinc/74/71/33/561747133.db2.gz	VYEGWKYQXSFSSO-VSKRKVRLSA-N	2	0	565.700	1.545	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(F)cc2s1	ZINC000014954717	561747236	/nfs/dbraw/zinc/74/72/36/561747236.db2.gz	AHPOLLQLTFYHDQ-VSKRKVRLSA-N	2	0	567.691	1.978	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(CO)cc2s1	ZINC000014954721	561747253	/nfs/dbraw/zinc/74/72/53/561747253.db2.gz	JOZFYQFQVKXWOD-ZRBLBEILSA-N	2	0	579.727	1.331	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(CO)cc2s1	ZINC000014954725	561747298	/nfs/dbraw/zinc/74/72/98/561747298.db2.gz	JOZFYQFQVKXWOD-ZLNRFVROSA-N	2	0	579.727	1.331	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(C(=O)OC)cc2s1	ZINC000014954742	561747294	/nfs/dbraw/zinc/74/72/94/561747294.db2.gz	MFMDLRMWDRKSBV-ZLNRFVROSA-N	2	0	607.737	1.626	1	30		KDEFRP
C[NH+](C)CCCN1CCN(CC2=C(N3CCN(CCC[NH+](C)C)CC3)C(=O)c3ccccc3C2=O)CC1	ZINC000022941756	561761072	/nfs/dbraw/zinc/76/10/72/561761072.db2.gz	FQAPIEMZIBPHAH-UHFFFAOYSA-N	2	0	510.727	1.458	1	30		KDEFRP
CCCC[S+](CCCC)Cc1ccc2cc1C(=O)NCC(=O)NCC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N2	ZINC000026252728	561774342	/nfs/dbraw/zinc/77/43/42/561774342.db2.gz	FHSRSIBVJUBJES-UIOOFZCWSA-O	2	0	617.837	1.808	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2c1)C(=O)CCC(=O)N1CCCCC1	ZINC000026475830	561791064	/nfs/dbraw/zinc/79/10/64/561791064.db2.gz	ZDRVDBOFEUWCDY-PVHODMMVSA-N	2	0	591.757	1.601	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2c1)C(=O)CCC(=O)N1CCCCC1	ZINC000026475837	561791085	/nfs/dbraw/zinc/79/10/85/561791085.db2.gz	ZDRVDBOFEUWCDY-PFBJBMPXSA-N	2	0	591.757	1.601	1	30		KDEFRP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000026749523	561819496	/nfs/dbraw/zinc/81/94/96/561819496.db2.gz	RUNYCPAEKAOPAT-MSOLQXFVSA-N	2	0	527.607	1.686	1	30		KDEFRP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000026751401	561819744	/nfs/dbraw/zinc/81/97/44/561819744.db2.gz	RUNYCPAEKAOPAT-ROUUACIJSA-N	2	0	527.607	1.686	1	30		KDEFRP
COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000026752880	561820118	/nfs/dbraw/zinc/82/01/18/561820118.db2.gz	RUNYCPAEKAOPAT-QZTJIDSGSA-N	2	0	527.607	1.686	1	30		KDEFRP
COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000026815790	561820275	/nfs/dbraw/zinc/82/02/75/561820275.db2.gz	RUNYCPAEKAOPAT-ZWKOTPCHSA-N	2	0	527.607	1.686	1	30		KDEFRP
COC(=O)[C@H](Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]	ZINC000026821981	561821381	/nfs/dbraw/zinc/82/13/81/561821381.db2.gz	GQZQAJBNKMLYQV-ROUUACIJSA-N	2	0	527.607	1.686	1	30		KDEFRP
C[N+]1(CC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)C[N+]4(C)CCOCC4)cc2C3=O)CCOCC1	ZINC000026956155	561829205	/nfs/dbraw/zinc/82/92/05/561829205.db2.gz	PSBZHEUJWUYEEE-UHFFFAOYSA-P	2	0	522.602	1.293	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc2ccccc2c1)C(=O)CCC(=O)N1CCCCC1	ZINC000027073971	561833999	/nfs/dbraw/zinc/83/39/99/561833999.db2.gz	ZDRVDBOFEUWCDY-VJGNERBWSA-N	2	0	591.757	1.601	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cccc2ccccc21)C(=O)CCC(=O)N1CCCCC1	ZINC000027080705	561835014	/nfs/dbraw/zinc/83/50/14/561835014.db2.gz	KZELCPCYXYRHMC-QKDODKLFSA-N	2	0	591.757	1.601	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1cccc2ccccc21)C(=O)CCC(=O)N1CCCCC1	ZINC000027080712	561835007	/nfs/dbraw/zinc/83/50/07/561835007.db2.gz	KZELCPCYXYRHMC-PVHODMMVSA-N	2	0	591.757	1.601	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cccc2ccccc21)C(=O)CCC(=O)N1CCCCC1	ZINC000027080719	561834972	/nfs/dbraw/zinc/83/49/72/561834972.db2.gz	KZELCPCYXYRHMC-VJGNERBWSA-N	2	0	591.757	1.601	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1cccc2ccccc21)C(=O)CCC(=O)N1CCCCC1	ZINC000027080728	561835022	/nfs/dbraw/zinc/83/50/22/561835022.db2.gz	KZELCPCYXYRHMC-PFBJBMPXSA-N	2	0	591.757	1.601	1	30		KDEFRP
COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CCNC(=O)c1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1	ZINC000027318146	561852038	/nfs/dbraw/zinc/85/20/38/561852038.db2.gz	OOVXSMPJUZAOPD-RUZDIDTESA-O	2	0	585.689	1.480	1	30		KDEFRP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCNC(=O)c1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1	ZINC000027318151	561852070	/nfs/dbraw/zinc/85/20/70/561852070.db2.gz	OOVXSMPJUZAOPD-VWLOTQADSA-O	2	0	585.689	1.480	1	30		KDEFRP
C[NH+](C)CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000027330129	561854668	/nfs/dbraw/zinc/85/46/68/561854668.db2.gz	FDGVLQZTDNVVAA-HZFUHODCSA-N	2	0	698.916	1.812	1	30		KDEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027405844	561855456	/nfs/dbraw/zinc/85/54/56/561855456.db2.gz	HBBDNILILOBVKM-UVUUWJHSSA-N	2	0	726.751	1.378	1	30		KDEFRP
C[C@@H]([NH2+][C@@H](CCCCCCCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccccc1)C(=O)[O-]	ZINC000027627094	561873171	/nfs/dbraw/zinc/87/31/71/561873171.db2.gz	WUAZNNQUKKZSIX-HJNYFJLDSA-N	2	0	519.691	1.674	1	30		KDEFRP
C[NH+]1CCN(CCCNC(=O)CCC2=C(CCC(=O)NCCCN3CC[NH+](C)CC3)C(=O)c3c(O)cccc3C2=O)CC1	ZINC000027637783	561874878	/nfs/dbraw/zinc/87/48/78/561874878.db2.gz	MTXSGFZTKANPBL-UHFFFAOYSA-N	2	0	596.773	1.136	1	30		KDEFRP
CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCNC(N)=[NH2+])n(CCC(C)C)c3)cc2)cc1C(=O)NCCNC(N)=[NH2+]	ZINC000027900084	561890792	/nfs/dbraw/zinc/89/07/92/561890792.db2.gz	WWWIAFAYXDVFLS-UHFFFAOYSA-N	2	0	690.854	1.893	1	30		KDEFRP
C[C@@]([NH3+])(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000028115414	561903658	/nfs/dbraw/zinc/90/36/58/561903658.db2.gz	PSMQXPWUXHJZAF-PHVLTXCSSA-N	2	0	549.701	1.969	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@H](O)c1nc2ccccc2s1	ZINC000028116783	561903931	/nfs/dbraw/zinc/90/39/31/561903931.db2.gz	AVOZCLSHEAQFBI-KHUIQGCPSA-N	2	0	551.717	1.690	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc(C(=O)NCCc2ccccc2)cs1	ZINC000028117100	561903929	/nfs/dbraw/zinc/90/39/29/561903929.db2.gz	NUZPYXWXEQRGQT-WEWMWRJBSA-N	2	0	646.818	1.658	1	30		KDEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc(C(=O)NCCc2ccccc2)cs1	ZINC000028117107	561903913	/nfs/dbraw/zinc/90/39/13/561903913.db2.gz	NUZPYXWXEQRGQT-SLQPCKNISA-N	2	0	646.818	1.658	1	30		KDEFRP
COc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2)cc1CC[S@@+](C)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000028260432	561912051	/nfs/dbraw/zinc/91/20/51/561912051.db2.gz	RQCIHAVPEVJXRN-PBEAWCBISA-N	2	0	611.745	1.624	1	30		KDEFRP
COc1ccc([C@H](O)C[N@H+](C)Cc2ccccc2)cc1CC[S@@+](C)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000028260441	561912028	/nfs/dbraw/zinc/91/20/28/561912028.db2.gz	RQCIHAVPEVJXRN-VPNKWXGCSA-N	2	0	611.745	1.624	1	30		KDEFRP
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)Cc1ccc(Cl)cc1	ZINC000028565103	561935925	/nfs/dbraw/zinc/93/59/25/561935925.db2.gz	URERCOCKBKEXMD-DZUOILHNSA-N	2	0	685.270	1.707	1	30		KDEFRP
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)Cc1ccccc1	ZINC000028565260	561936002	/nfs/dbraw/zinc/93/60/02/561936002.db2.gz	WLSGGMCTCJGNCV-DZUOILHNSA-N	2	0	650.825	1.263	1	30		KDEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565262	561936011	/nfs/dbraw/zinc/93/60/11/561936011.db2.gz	JUMHJHYJSCNPAH-DZUOILHNSA-N	2	0	650.825	1.263	1	30		KDEFRP
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)CCc1ccccc1	ZINC000028565288	561936010	/nfs/dbraw/zinc/93/60/10/561936010.db2.gz	SARKXSFAWFQYGP-KRCBVYEFSA-N	2	0	664.852	1.444	1	30		KDEFRP
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]c2ccccc12	ZINC000028565325	561936046	/nfs/dbraw/zinc/93/60/46/561936046.db2.gz	LRUGICXKSYJAMC-LKZKAFSPSA-N	2	0	689.862	1.535	1	30		KDEFRP
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)Cc1ccc(C)cc1	ZINC000028565492	561936202	/nfs/dbraw/zinc/93/62/02/561936202.db2.gz	LZWBHMYCGAHSIG-KRCBVYEFSA-N	2	0	664.852	1.362	1	30		KDEFRP
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)c1ccccc1	ZINC000028567704	561936849	/nfs/dbraw/zinc/93/68/49/561936849.db2.gz	UPNZYRHBYCBYQG-LAJGZZDBSA-N	2	0	636.798	1.393	1	30		KDEFRP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCCCNC(N)=[NH2+])C(=O)N[C@H]1CCCC[C@@H]1c1cccc(Cl)c1	ZINC000028572688	561940383	/nfs/dbraw/zinc/94/03/83/561940383.db2.gz	GSTGMOJCZPXYBR-ROHNOIKCSA-N	2	0	620.243	1.995	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](C[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1	ZINC000029135725	562004557	/nfs/dbraw/zinc/00/45/57/562004557.db2.gz	NHCYVPYZNFHZFB-PLJDCMBSSA-N	2	0	720.875	1.670	1	30		KDEFRP
C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN(C(=O)C[NH2+]CCCNC(N)=[NH2+])C(c1ccccc1)c1ccccc1	ZINC000029213919	562006178	/nfs/dbraw/zinc/00/61/78/562006178.db2.gz	JKHFKJGWQYBAFO-HSZRJFAPSA-N	2	0	557.699	1.933	1	30		KDEFRP
Cc1oc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](N)C[NH3+])nc1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1	ZINC000029397884	562019078	/nfs/dbraw/zinc/01/90/78/562019078.db2.gz	AYKLXLKHNRTGOK-ORYMTKCHSA-N	2	0	748.905	1.732	1	30		KDEFRP
Cc1oc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H](N)C[NH3+])nc1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1	ZINC000029397888	562019125	/nfs/dbraw/zinc/01/91/25/562019125.db2.gz	AYKLXLKHNRTGOK-BHSUFKTOSA-N	2	0	748.905	1.732	1	30		KDEFRP
C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc2ccccc2)cs1	ZINC000029403580	562020297	/nfs/dbraw/zinc/02/02/97/562020297.db2.gz	PVKALRONQRTGGJ-KCHLEUMXSA-N	3	0	724.908	1.026	1	30		KDEFRP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCCCNC(N)=[NH2+])C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1	ZINC000036152694	562048371	/nfs/dbraw/zinc/04/83/71/562048371.db2.gz	GSTGMOJCZPXYBR-NDBXHCKUSA-N	2	0	620.243	1.995	1	30		KDEFRP
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000036285527	562054206	/nfs/dbraw/zinc/05/42/06/562054206.db2.gz	BACKPKKWDGBCRT-PVHODMMVSA-N	2	0	575.689	1.299	1	30		KDEFRP
CCCCCCCCCCCCCC[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	ZINC000036352018	562059662	/nfs/dbraw/zinc/05/96/62/562059662.db2.gz	NZSSUHPFQJXYCA-WBSGOERWSA-N	2	0	584.755	1.266	1	30		KDEFRP
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1/C=N\OCC[NH2+]CCCC[NH3+]	ZINC000040567248	562078227	/nfs/dbraw/zinc/07/82/27/562078227.db2.gz	VHGQNULGDANJBJ-KSVGWBHNSA-N	2	0	505.575	1.759	1	30		KDEFRP
COc1ccc2ccc([C@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])cc2c1	ZINC000042803366	562088200	/nfs/dbraw/zinc/08/82/00/562088200.db2.gz	JSZBMTWDSYJXIV-JZVZSRTGSA-N	3	0	626.803	1.126	1	30		KDEFRP
C[NH+](C)CCOc1cc2nc(N3CCN(C4=CC(=O)C5=CCC=C[C@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000043077165	562645722	/nfs/dbraw/zinc/64/57/22/562645722.db2.gz	KUWINLNPZYKQDK-LEWJYISDSA-N	2	0	561.687	1.609	1	30		KDEFRP
C[NH+](C)CCCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=CC(NC=O)=C[N+]3(C)C)=C[N+]2(C)C)=C[N+]1(C)C	ZINC000043241730	562647191	/nfs/dbraw/zinc/64/71/91/562647191.db2.gz	HSQHSBVKWNIKJB-UHFFFAOYSA-Q	4	0	541.677	2.000	1	30		KDEFRP
CCN(CCc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043628088	562650374	/nfs/dbraw/zinc/65/03/74/562650374.db2.gz	HLKGQMXXQAXMOM-XZOQPEGZSA-N	2	0	594.544	1.315	1	30		KDEFRP
CCN(Cc1ccc(-c2ccccc2)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043640937	562650440	/nfs/dbraw/zinc/65/04/40/562650440.db2.gz	JHOOVCQQCBFHRX-WUFINQPMSA-N	2	0	587.725	1.632	1	30		KDEFRP
CCN(CCc1cccc2ccccc21)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043641020	562650454	/nfs/dbraw/zinc/65/04/54/562650454.db2.gz	NMRDVDHQRUDLOU-RRPNLBNLSA-N	2	0	575.714	1.161	1	30		KDEFRP
CCN(CCc1ccc2ccccc2c1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043641117	562650549	/nfs/dbraw/zinc/65/05/49/562650549.db2.gz	SIAZOZLDIFDIKW-RRPNLBNLSA-N	2	0	575.714	1.161	1	30		KDEFRP
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1/C=N\OCC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000044069582	562652102	/nfs/dbraw/zinc/65/21/02/562652102.db2.gz	KRTJRBOORMQZLP-HXYHDSOZSA-N	2	0	562.671	1.738	1	30		KDEFRP
CCN(CCc1ccccc1C(F)(F)F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000044181944	562652530	/nfs/dbraw/zinc/65/25/30/562652530.db2.gz	WACJEFFJUYCPNJ-XZOQPEGZSA-N	2	0	593.651	1.027	1	30		KDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H]([NH2+]C(C)(C)C)C(C)C)[C@@H]1O	ZINC000044403905	717129486	/nfs/dbraw/zinc/12/94/86/717129486.db2.gz	BGLCHBPLAJRPOX-XDHMBIIISA-O	3	0	544.761	1.824	1	30		KDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(=O)[C@@H]([NH2+]C(C)(C)C)C(C)C)[C@H]1O	ZINC000044403909	717129265	/nfs/dbraw/zinc/12/92/65/717129265.db2.gz	BGLCHBPLAJRPOX-PRCXPIFWSA-O	3	0	544.761	1.824	1	30		KDEFRP
[NH3+]CCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12	ZINC000044406423	562656874	/nfs/dbraw/zinc/65/68/74/562656874.db2.gz	NPTUZPVDXLUVJU-WIRXVTQYSA-N	2	0	562.715	1.864	1	30		KDEFRP
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)[NH2+]C[C@H](O)c1cc(O)cc2c1OCC(=O)N2	ZINC000049745337	562673814	/nfs/dbraw/zinc/67/38/14/562673814.db2.gz	QBPOVLNBXGGVRH-DEOSSOPVSA-O	2	0	556.684	1.909	1	30		KDEFRP
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)[NH2+]C[C@@H](O)c1cc(O)cc2c1OCC(=O)N2	ZINC000049745339	562673816	/nfs/dbraw/zinc/67/38/16/562673816.db2.gz	QBPOVLNBXGGVRH-XMMPIXPASA-O	2	0	556.684	1.909	1	30		KDEFRP
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2	ZINC000049745488	562673920	/nfs/dbraw/zinc/67/39/20/562673920.db2.gz	LBHBNLPSDBCGLA-QHCPKHFHSA-O	2	0	556.684	1.909	1	30		KDEFRP
CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2	ZINC000049745490	562673889	/nfs/dbraw/zinc/67/38/89/562673889.db2.gz	LBHBNLPSDBCGLA-HSZRJFAPSA-O	2	0	556.684	1.909	1	30		KDEFRP
CCCC[C@H]([NH2+]Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)Cc1ccc(C#N)cc1	ZINC000049832983	562687348	/nfs/dbraw/zinc/68/73/48/562687348.db2.gz	WKRJADXXWMVTJZ-ORYMTKCHSA-N	3	0	661.852	1.495	1	30		KDEFRP
C=CCOc1ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC=C)C(=O)OCc2ccccc2)cc1	ZINC000049841238	562688128	/nfs/dbraw/zinc/68/81/28/562688128.db2.gz	UJNCCLDZHCQLLD-YGXYGYJOSA-N	2	0	734.899	1.465	1	30		KDEFRP
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CC[NH2+]CC2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000049942273	562695416	/nfs/dbraw/zinc/69/54/16/562695416.db2.gz	BZEWEHPSOMSRJV-RWSKJCERSA-N	2	0	644.796	1.246	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])C(N)=O	ZINC000071331867	562719304	/nfs/dbraw/zinc/71/93/04/562719304.db2.gz	OBDGHPCPSWCHSD-RDJZCZTQSA-N	2	0	512.596	1.121	1	30		KDEFRP
CSc1c2sc(C3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c[n+]2cn1Cc1cccc(C[N+]23CC[N+](CC(N)=O)(CC2)CC3)c1	ZINC000072115314	562722951	/nfs/dbraw/zinc/72/29/51/562722951.db2.gz	CIOPWONYYHCPOP-QSIXUBMISA-P	2	0	653.851	1.358	1	30		KDEFRP
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000084620856	562745433	/nfs/dbraw/zinc/74/54/33/562745433.db2.gz	KFZNXVCUWNNJMQ-PVHODMMVSA-N	2	0	557.699	1.160	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)N[C@@H](CCCC[NH3+])C(=O)NC1=O	ZINC000084899103	562753122	/nfs/dbraw/zinc/75/31/22/562753122.db2.gz	MBPVODNFTHTIGK-LNOUOJJCSA-N	2	0	747.967	1.054	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)N[C@@H](CCCC[NH3+])C(=O)NC1=O	ZINC000084899104	562753111	/nfs/dbraw/zinc/75/31/11/562753111.db2.gz	MBPVODNFTHTIGK-COYRQURDSA-N	2	0	747.967	1.054	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)N[C@@H](CCCC[NH3+])C(=O)NC1=O	ZINC000084899108	562753108	/nfs/dbraw/zinc/75/31/08/562753108.db2.gz	MBPVODNFTHTIGK-SEFJPNSOSA-N	2	0	747.967	1.054	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)N[C@@H](CCCC[NH3+])C(=O)NC1=O	ZINC000084899111	562753123	/nfs/dbraw/zinc/75/31/23/562753123.db2.gz	MBPVODNFTHTIGK-CBOXTNLQSA-N	2	0	747.967	1.054	1	30		KDEFRP
C[C@H]1[C@H](O)CC[C@H]2C[C@@H]([C@H](O)C[C@H]3C#CC[C@@H]4C[C@](C)(CC[NH2+]4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC[N@H+]12	ZINC000085487981	560075933	/nfs/dbraw/zinc/07/59/33/560075933.db2.gz	MFYKKWJEPXTZRR-VOUCMXLCSA-N	2	0	563.780	1.469	1	30	biogenic,in-vitro	KDEFRP
C[C@H](O)C[NH2+][C@H](CC[C@H]1C#CC[C@@H]2C[C@](C)(CC[NH2+]2)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C1)C[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1	ZINC000085487989	560075989	/nfs/dbraw/zinc/07/59/89/560075989.db2.gz	YYSCVGDPRPUSGT-RQQDGFOVSA-N	3	0	594.838	1.105	1	30	biogenic,in-vitro	KDEFRP
C[C@@H]1[NH2+][C@H](C[C@@H](CC=O)CC[C@H]2C#CC[C@@H]3C[C@](C)(CC[NH2+]3)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C2)CC[C@H]1O	ZINC000085488011	291722607	/nfs/dbraw/zinc/72/26/07/291722607.db2.gz	VSPLDDLCUPATEM-NRYVIMEGSA-N	2	0	563.780	1.972	1	30	biogenic,in-vitro	KDEFRP
C[C@@H]1[NH2+][C@H](CC[C@H](O)C[C@H]2C#CC[C@@H]3C[C@](C)(CC[NH2+]3)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C2)CC[C@H]1O	ZINC000085488022	291722609	/nfs/dbraw/zinc/72/26/09/291722609.db2.gz	KEGBIPQAEZGPJD-PGHLCKPXSA-N	2	0	537.742	1.127	1	30	biogenic,in-vitro	KDEFRP
C[C@H](O)C[NH2+][C@H](CC[C@H]1C#CC[C@@H]2C[C@@](C)(CC[NH2+]2)[NH2+]C[C@](O)(CC(=O)[O-])CCCC1)C[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1	ZINC000085488038	560075815	/nfs/dbraw/zinc/07/58/15/560075815.db2.gz	LKYQDFZQJBQCHN-IIFZOBAISA-N	3	0	564.812	1.887	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]C[C@H](CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1)C[C@@H]1C#CC[C@@H]2C[C@@](C)(CC[NH2+]2)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C1	ZINC000085488047	291707478	/nfs/dbraw/zinc/70/74/78/291707478.db2.gz	ITUSJZWJFWOPPP-KLRGEGAUSA-N	3	0	564.812	1.602	1	30	biogenic,in-vitro	KDEFRP
C[C@@H]1[NH2+][C@H](CC[C@H](O)C[C@@H]2C#CC[C@H]3C[C@](C)(CC[NH2+]3)[NH2+]C[C@](O)(CC(=O)[O-])CCCC2)CC[C@H]1O	ZINC000085488056	560075924	/nfs/dbraw/zinc/07/59/24/560075924.db2.gz	BANAWCURRRQWSF-UFQKWITCSA-N	2	0	507.716	1.909	1	30	biogenic,in-vitro	KDEFRP
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3OCCNC(N)=[NH2+])c(C3CC[NH2+]CC3)c(O)c1C2=O	ZINC000085593327	291691662	/nfs/dbraw/zinc/69/16/62/291691662.db2.gz	DMKDKXPJKJCRMN-AJQYAZBVSA-N	2	0	744.798	1.727	1	30	biogenic,in-vitro	KDEFRP
Cc1cc(O)c2c(=O)c3c(cc-2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CCCNC(N)=[NH2+])C3	ZINC000085594088	560064855	/nfs/dbraw/zinc/06/48/55/560064855.db2.gz	WAQFDWXUKRQIOX-UXUXNBJMSA-N	2	0	528.606	1.623	1	30	biogenic,in-vitro	KDEFRP
Cc1cc(O)c2c(=O)c3c(cc-2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@]1(C)O[C@@H]1CCCNC(N)=[NH2+])C3	ZINC000085594089	560064517	/nfs/dbraw/zinc/06/45/17/560064517.db2.gz	WAQFDWXUKRQIOX-VFOOCMBXSA-N	2	0	528.606	1.623	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(O)c-4c3=O)OC2(C)C)O[C@@H]1CCCNC(N)=[NH2+]	ZINC000085594091	560064594	/nfs/dbraw/zinc/06/45/94/560064594.db2.gz	BIXKKYDXBQWIBU-RRQZXNHTSA-N	2	0	502.568	1.233	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(O)c-4c3=O)OC2(C)C)O[C@@H]1CCCNC(N)=[NH2+]	ZINC000085594092	560064657	/nfs/dbraw/zinc/06/46/57/560064657.db2.gz	BIXKKYDXBQWIBU-MPCDZSKCSA-N	2	0	502.568	1.233	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]COc1c2cc(c3c1O[C@H](O)[C@@H](CCNC(=[NH2+])NCC(C)C)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OCO)c1C#CC2	ZINC000085626402	291706873	/nfs/dbraw/zinc/70/68/73/291706873.db2.gz	GFAIAOOSHKBNRY-CDLSOSGVSA-N	2	0	652.789	1.890	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]COc1c2cc(c3c1O[C@H](O)[C@@H](CCNC(N)=[NH2+])C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2	ZINC000085626506	291706875	/nfs/dbraw/zinc/70/68/75/291706875.db2.gz	YABMSHUWDWRDCU-AZMCGESQSA-N	2	0	580.682	1.283	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]COc1c2cc3c4c1OC[C@@H](C4)[C@@H](CNC(N)=[NH2+])CC#C[C@@H](C3)[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2	ZINC000085626549	291706882	/nfs/dbraw/zinc/70/68/82/291706882.db2.gz	MVLUVEBFIUWREG-BEGHHWOZSA-N	2	0	600.716	1.824	1	30	biogenic,in-vitro	KDEFRP
C[NH2+]COc1c2cc(c3c1OC[C@H](CCNC(N)=[NH2+])C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2	ZINC000085626573	291706879	/nfs/dbraw/zinc/70/68/79/291706879.db2.gz	DTNJAGFAEUGONA-NTKDMRAZSA-N	2	0	564.683	1.964	1	30	biogenic,in-vitro	KDEFRP
CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H]([C@H](CCNC(N)=[NH2+])CNC(N)=[NH2+])CC2=O)c(O)c(OC)c1)OC(C)=O	ZINC000085627528	565160745	/nfs/dbraw/zinc/16/07/45/565160745.db2.gz	ZXPFSUKIPXJVNL-BPJRBCGYSA-N	2	0	605.781	1.498	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1([C@H](C)O)C#C[C@H]2C[C@@H]3C#CCC[NH2+]C[C@]4(C[C@H](CCN4)Oc4cc(c(CO)cc4O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1)C3	ZINC000085627792	565160768	/nfs/dbraw/zinc/16/07/68/565160768.db2.gz	DYHHVJDMDBVSEQ-GNRLRNQWSA-N	2	0	693.886	1.527	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1([C@H](C)O)C#C[C@H]2CCC[C@]3(C[NH2+]C)C[C@H](CCN3)Oc3cc(c(C(O)O)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627813	565160735	/nfs/dbraw/zinc/16/07/35/565160735.db2.gz	XKIDDZQTPVYZHY-SITCPWBWSA-N	2	0	673.852	1.014	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@]1([C@H](C)O)C#C[C@H]2CCC[C@]3(C[NH2+]C)C[C@H](CCN3)Oc3cc(c(CO)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627851	565160752	/nfs/dbraw/zinc/16/07/52/565160752.db2.gz	AYSNLXAEUBSSSK-KMEFREEOSA-N	2	0	657.853	1.523	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1([C@H](C)O)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(c(C(O)O)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627878	291704618	/nfs/dbraw/zinc/70/46/18/291704618.db2.gz	AOFJSVJWDHEZIT-CBSKLMTNSA-N	2	0	630.783	1.424	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1([C@H](C)O)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(c(CO)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627908	565160719	/nfs/dbraw/zinc/16/07/19/565160719.db2.gz	WJSHXBLGFWDSTE-OWDSHLRYSA-N	2	0	614.784	1.934	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@]1(CC[NH2+]C[C@H](C)O)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(c(CO)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627942	565160743	/nfs/dbraw/zinc/16/07/43/565160743.db2.gz	LIBUTXWGOASZCY-BWSUGLFESA-N	3	0	671.880	1.913	1	30	biogenic,in-vitro	KDEFRP
CC(=O)O[C@H]1C[C@@H](O)CC[C@]2(C#CC[C@H]1Cc1cc(OC3CC[NH2+]CC3)c(O)cc1CO)CC[N@H+]1C[C@@H]3C[C@@H](CN(C3)C[NH+]=C(N)NC2)C1	ZINC000085627957	565160774	/nfs/dbraw/zinc/16/07/74/565160774.db2.gz	SWBLTEOCJQCRAF-IDSMYLDZSA-N	3	0	680.891	1.759	1	30	biogenic,in-vitro	KDEFRP
CC(=O)O[C@H]1C[C@@H](O)CC[C@]2(C#CC[C@H]1Cc1ccc(O)c(OC3CC[NH2+]CC3)c1)CNC(N)=[NH+]CN1C[C@H]3C[C@@H](C1)C[N@@H+](C3)C[C@H]2O	ZINC000085627969	565160760	/nfs/dbraw/zinc/16/07/60/565160760.db2.gz	DDQPLZDOPXYJRT-CNIMZSENSA-N	3	0	666.864	1.238	1	30	biogenic,in-vitro	KDEFRP
CC[C@]1(CNC(=[NH2+])NC)C#CC[C@@H](Cc2cc(O[C@@H]3CCN[C@H](C[NH2+]C)C3)c(O)cc2CO)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627989	565160710	/nfs/dbraw/zinc/16/07/10/565160710.db2.gz	VEHDUEULMRYDGM-CMVFZVRZSA-N	2	0	601.789	1.772	1	30	biogenic,in-vitro	KDEFRP
CC[C@]1(CNC(=[NH2+])NC)C#CC[C@H](Cc2cc(OC3CC[NH2+]CC3)c(O)cc2C(O)O)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085628026	560068698	/nfs/dbraw/zinc/06/86/98/560068698.db2.gz	RQFOGQGYXPMXFG-ACHWUEPLSA-N	2	0	574.719	1.675	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1(CC[NH2+]C[C@H](C)O)C#CC[C@H](Cc2cc(OC3CC[NH2+]CC3)c(O)cc2CO)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085628032	565161148	/nfs/dbraw/zinc/16/11/48/565161148.db2.gz	VKDSGWMVXGTOIT-FYWQFIGWSA-N	3	0	631.815	1.135	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@]1([C@H](C)O)C#CC[C@H](Cc2ccc(O)c(OC3CC[NH2+]CC3)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085628064	291705098	/nfs/dbraw/zinc/70/50/98/291705098.db2.gz	FQEXMGVFDXIJLF-BOSCDJQNSA-N	2	0	544.693	1.663	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1(CC[NH2+]C[C@H](C)O)C#CC[C@H](Cc2ccc(O)c(OC3CC[NH2+]CC3)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085628097	565161150	/nfs/dbraw/zinc/16/11/50/565161150.db2.gz	KXLFSJLKVLVJFJ-WXNIPSNISA-N	3	0	601.789	1.642	1	30	biogenic,in-vitro	KDEFRP
CNC(=[NH2+])NC[C@@]1(CC[NH2+]C[C@H](C)O)C#CC[C@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085628273	291704611	/nfs/dbraw/zinc/70/46/11/291704611.db2.gz	XJHGHNNHBPHDDU-UKTRGEACSA-N	2	0	532.682	1.520	1	30	biogenic,in-vitro	KDEFRP
C/C=C/C=C/CC(=O)N(C(C)=O)[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	ZINC000095542038	562756497	/nfs/dbraw/zinc/75/64/97/562756497.db2.gz	HDPFTJRHEFECLI-BPQGUKOQSA-N	2	0	805.957	1.222	1	30		KDEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000095542837	562756869	/nfs/dbraw/zinc/75/68/69/562756869.db2.gz	HBSKRVQAUHKGCJ-YYVXLPSDSA-N	3	0	792.946	1.067	1	30		KDEFRP
C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2cc(C#CC[NH+](C)C)ccc2S1(=O)=O	ZINC000095600424	562778852	/nfs/dbraw/zinc/77/88/52/562778852.db2.gz	HVNBSBCCDAKDPU-TYBLODHISA-N	2	0	500.665	1.895	1	30		KDEFRP
C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095608862	562783753	/nfs/dbraw/zinc/78/37/53/562783753.db2.gz	SPYDGWRGOGYFJA-ORYMTKCHSA-N	2	0	792.983	1.722	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000095608886	562783793	/nfs/dbraw/zinc/78/37/93/562783793.db2.gz	HBSKRVQAUHKGCJ-RONNFESSSA-N	3	0	792.946	1.067	1	30		KDEFRP
C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095609761	562783984	/nfs/dbraw/zinc/78/39/84/562783984.db2.gz	SPYDGWRGOGYFJA-MBEDZMRZSA-N	2	0	792.983	1.722	1	30		KDEFRP
C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cs1	ZINC000095615351	562787268	/nfs/dbraw/zinc/78/72/68/562787268.db2.gz	PSDGNFVSAAVMHR-ORYMTKCHSA-N	2	0	808.982	1.427	1	30		KDEFRP
C=CCN1C(=O)C(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC)C(N)=O)cc2)SC1=S	ZINC000096938064	562804433	/nfs/dbraw/zinc/80/44/33/562804433.db2.gz	FPZSUKNHKMOZSC-JSCKMKDKSA-N	2	0	701.920	1.210	1	30		KDEFRP
C=CCN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC)C(N)=O)cc2)C1=O	ZINC000096938509	562804530	/nfs/dbraw/zinc/80/45/30/562804530.db2.gz	MZJQZWMVFWNJHP-JSCKMKDKSA-N	2	0	685.852	1.045	1	30		KDEFRP
C[NH+](C)CCOc1cc2nc(N3CCN(C4=CC(=O)C5=CCC=C[C@@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000100751994	562807297	/nfs/dbraw/zinc/80/72/97/562807297.db2.gz	KUWINLNPZYKQDK-RTWAWAEBSA-N	2	0	561.687	1.609	1	30		KDEFRP
C[NH+](C)CCOc1cc2nc(N3CCN(C4=CC(=O)C5=CCC=C[C@@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000100751995	562807304	/nfs/dbraw/zinc/80/73/04/562807304.db2.gz	KUWINLNPZYKQDK-SFTDATJTSA-N	2	0	561.687	1.609	1	30		KDEFRP
C[NH+](C)CCOc1cc2nc(N3CCN(C4=CC(=O)C5=CCC=C[C@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000100751996	562807322	/nfs/dbraw/zinc/80/73/22/562807322.db2.gz	KUWINLNPZYKQDK-NHCUHLMSSA-N	2	0	561.687	1.609	1	30		KDEFRP
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H]([NH3+])[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000101179057	562809715	/nfs/dbraw/zinc/80/97/15/562809715.db2.gz	FLARTHNNKDACMT-FJSLVWGOSA-N	2	0	615.772	1.880	1	30		KDEFRP
COc1cc(C[NH2+]CCCNC2=CC(=O)C(NCCC[NH2+]Cc3ccc(O)c(OC)c3)=CC2=O)ccc1O	ZINC000101412747	562810597	/nfs/dbraw/zinc/81/05/97/562810597.db2.gz	LAYZENWRJFTEBJ-UHFFFAOYSA-N	2	0	524.618	1.873	1	30		KDEFRP
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])C1=O)O2	ZINC000101581658	562811298	/nfs/dbraw/zinc/81/12/98/562811298.db2.gz	OOYIOROCYGSJDF-IHHLNYCESA-N	2	0	528.650	1.857	1	30		KDEFRP
CCCCCCCC(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000103281554	562823600	/nfs/dbraw/zinc/82/36/00/562823600.db2.gz	ZDBVKOQQWMUGIB-OLJIXPHWSA-N	2	0	593.814	1.182	1	30		KDEFRP
CNC1=[NH+]CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@](O)(CO[C@H]5CCC[C@@H]([NH2+]C)C5)C(C(=O)[O-])=C3C[C@@H]2[C@@]42CN1C=C[C@@H]2C[NH2+]CCO	ZINC000103524439	291703797	/nfs/dbraw/zinc/70/37/97/291703797.db2.gz	VFGBFXXYUWOYEM-FUGDGIPMSA-N	2	0	595.785	1.318	1	30	biogenic,in-vitro	KDEFRP
C[NH+]1CCN(CCNc2nc3cc(Cl)c(C#CCCO)cc3nc2NCCN2CC[NH+](C)CC2)CC1	ZINC000115764962	562829036	/nfs/dbraw/zinc/82/90/36/562829036.db2.gz	KZISLSUCJLREIN-UHFFFAOYSA-N	2	0	515.106	1.336	1	30		KDEFRP
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000160869050	562849057	/nfs/dbraw/zinc/84/90/57/562849057.db2.gz	BJOKTIDKDGBLBU-LTXXGDHTSA-N	2	0	797.907	1.096	1	30		KDEFRP
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000160869312	562849064	/nfs/dbraw/zinc/84/90/64/562849064.db2.gz	BJOKTIDKDGBLBU-OMRVPHBLSA-N	2	0	797.907	1.096	1	30		KDEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000161906264	562849235	/nfs/dbraw/zinc/84/92/35/562849235.db2.gz	XZBGGTFLRPVVEL-ORYMTKCHSA-N	2	0	794.333	1.007	1	30		KDEFRP
CC(=O)N(c1ccccc1)[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	ZINC000169319197	562856208	/nfs/dbraw/zinc/85/62/08/562856208.db2.gz	IPIBOTOUQSFKOP-YRCZKMHPSA-N	2	0	773.915	1.377	1	30		KDEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169319526	562856222	/nfs/dbraw/zinc/85/62/22/562856222.db2.gz	SVJAENHNVFEPTG-YRCZKMHPSA-N	2	0	798.925	1.236	1	30		KDEFRP
CC(=O)N(c1ccccc1F)[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	ZINC000169319549	562856258	/nfs/dbraw/zinc/85/62/58/562856258.db2.gz	ZYELEJDEISIVML-QUUJSONZSA-N	2	0	791.905	1.516	1	30		KDEFRP
CC(=O)N(C(=O)C=Cc1ccccc1)[C@H](Cc1cccs1)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	ZINC000169319870	562856308	/nfs/dbraw/zinc/85/63/08/562856308.db2.gz	UZAWTWNALIYPPR-CPCLCRMQSA-N	2	0	816.002	1.335	1	30		KDEFRP
C=CC(=O)c1ccsc1N(C(C)=O)[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	ZINC000169319881	562856312	/nfs/dbraw/zinc/85/63/12/562856312.db2.gz	QPJBNHMHJLCNJR-YDPTYEFTSA-N	2	0	833.992	1.808	1	30		KDEFRP
CC(=O)N(c1cccc(F)c1)[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	ZINC000169320133	562856357	/nfs/dbraw/zinc/85/63/57/562856357.db2.gz	JUYKPIGOEDMGOK-YRCZKMHPSA-N	2	0	791.905	1.516	1	30		KDEFRP
CC(=O)N(c1ccsc1)[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	ZINC000169320136	562856355	/nfs/dbraw/zinc/85/63/55/562856355.db2.gz	UXUNSAMCTHAHPW-ORYMTKCHSA-N	2	0	779.944	1.439	1	30		KDEFRP
CC(=O)N(c1ccc(F)cc1)[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	ZINC000169320140	562856361	/nfs/dbraw/zinc/85/63/61/562856361.db2.gz	ASMUJLLIYBYWGO-YRCZKMHPSA-N	2	0	791.905	1.516	1	30		KDEFRP
CC(=O)N(Oc1cccs1)[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	ZINC000169320152	562856358	/nfs/dbraw/zinc/85/63/58/562856358.db2.gz	GYDHYGRSZZJLJT-KRCBVYEFSA-N	2	0	795.943	1.228	1	30		KDEFRP
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccccc1)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	ZINC000169320452	562856421	/nfs/dbraw/zinc/85/64/21/562856421.db2.gz	NINCBKOATFYXAM-MSYKWCAFSA-N	2	0	809.973	1.274	1	30		KDEFRP
CC(=O)N(c1cccs1)[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	ZINC000169331116	562858890	/nfs/dbraw/zinc/85/88/90/562858890.db2.gz	WZUBLVBDYOKRIZ-KRCBVYEFSA-N	2	0	779.944	1.439	1	30		KDEFRP
CC(=O)N(c1c[nH]c2ccccc21)[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	ZINC000169331119	562858886	/nfs/dbraw/zinc/85/88/86/562858886.db2.gz	FBEWXKKGKNENJT-CUPIEXAXSA-N	2	0	812.952	1.859	1	30		KDEFRP
CC(=O)N([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)C1CCCC1	ZINC000169331123	562858882	/nfs/dbraw/zinc/85/88/82/562858882.db2.gz	DQBMRMBCOSJSJQ-YDPTYEFTSA-N	2	0	765.936	1.115	1	30		KDEFRP
CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169348950	562862382	/nfs/dbraw/zinc/86/23/82/562862382.db2.gz	WYMYSXJVUSUECV-QKDODKLFSA-N	2	0	669.876	1.317	1	30		KDEFRP
NC(=[NH2+])NCCCCNC(=O)C(O)(O)[C@H](c1c[nH]c2cc(Br)ccc21)[C@@](O)(Cc1c[nH]c2cc(Br)ccc12)C(=O)NCCCCNC(N)=[NH2+]	ZINC000197302856	562872550	/nfs/dbraw/zinc/87/25/50/562872550.db2.gz	WZUZGLZZNWYREM-NEEKEDPPSA-N	2	0	806.561	1.252	1	30		KDEFRP
NC(=[NH2+])NCCCCNC(=O)C(O)(O)[C@@H](c1c[nH]c2cc(Br)ccc21)[C@](O)(Cc1c[nH]c2cc(Br)ccc12)C(=O)NCCCCNC(N)=[NH2+]	ZINC000197302868	562872571	/nfs/dbraw/zinc/87/25/71/562872571.db2.gz	WZUZGLZZNWYREM-SUYBVONHSA-N	2	0	806.561	1.252	1	30		KDEFRP
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1	ZINC000203342936	562873952	/nfs/dbraw/zinc/87/39/52/562873952.db2.gz	SEBBPFGTIFLIEZ-OIBXWCBGSA-N	3	0	627.839	1.157	1	30		KDEFRP
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])c1	ZINC000203346815	562873976	/nfs/dbraw/zinc/87/39/76/562873976.db2.gz	SEBBPFGTIFLIEZ-UEVCKROQSA-N	3	0	627.839	1.157	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221726827	562879158	/nfs/dbraw/zinc/87/91/58/562879158.db2.gz	WGPYAUIDGHZNCV-NSGJQZOKSA-N	2	0	664.771	1.523	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221726882	562879161	/nfs/dbraw/zinc/87/91/61/562879161.db2.gz	WGPYAUIDGHZNCV-POLDFPFKSA-N	2	0	664.771	1.523	1	30		KDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221726937	562879163	/nfs/dbraw/zinc/87/91/63/562879163.db2.gz	WGPYAUIDGHZNCV-JJZPZGAKSA-N	2	0	664.771	1.523	1	30		KDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)NC(=O)[C@@H]([NH2+]C(C)(C)C)C(C)C)[C@@H]1O	ZINC000299806876	717180373	/nfs/dbraw/zinc/18/03/73/717180373.db2.gz	BGLCHBPLAJRPOX-KRAHDOEASA-O	3	0	544.761	1.824	1	30		KDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)NC(=O)[C@@H]([NH2+]C(C)(C)C)C(C)C)[C@H]1O	ZINC000299806877	717180259	/nfs/dbraw/zinc/18/02/59/717180259.db2.gz	BGLCHBPLAJRPOX-SGTFCODGSA-O	3	0	544.761	1.824	1	30		KDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)NC(=O)[C@@H]([NH2+]C(C)(C)C)C(C)C)[C@@H]1O	ZINC000299806878	717180456	/nfs/dbraw/zinc/18/04/56/717180456.db2.gz	BGLCHBPLAJRPOX-UVCHVFBZSA-O	3	0	544.761	1.824	1	30		KDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)NC(=O)[C@@H]([NH2+]C(C)(C)C)C(C)C)[C@H]1O	ZINC000299806879	717180316	/nfs/dbraw/zinc/18/03/16/717180316.db2.gz	BGLCHBPLAJRPOX-XDCDDLRLSA-O	3	0	544.761	1.824	1	30		KDEFRP
CCCCCCCCCC(=O)Nc1cccc(C(=O)N[C@H](CCC[NH3+])C(=O)N[C@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(N)=O)c1	ZINC000299836343	562887101	/nfs/dbraw/zinc/88/71/01/562887101.db2.gz	YXLPBDGOZFVWCV-OYUWMTPXSA-N	3	0	632.851	1.536	1	30		KDEFRP
CCCCCCCCCC(=O)Nc1cccc(C(=O)N[C@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@H](CCC[NH3+])C(N)=O)c1	ZINC000299836344	562887106	/nfs/dbraw/zinc/88/71/06/562887106.db2.gz	YXLPBDGOZFVWCV-PFBJBMPXSA-N	3	0	632.851	1.536	1	30		KDEFRP
CCCCCCCCCC(=O)Nc1cccc(C(=O)N[C@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(N)=O)c1	ZINC000299836345	562887103	/nfs/dbraw/zinc/88/71/03/562887103.db2.gz	YXLPBDGOZFVWCV-VJGNERBWSA-N	3	0	632.851	1.536	1	30		KDEFRP
CCCCCCCCCC(=O)Nc1cccc(C(=O)N[C@H](CCC[NH3+])C(=O)N[C@H](CCC[NH3+])C(=O)N[C@H](CCC[NH3+])C(N)=O)c1	ZINC000299836346	562887113	/nfs/dbraw/zinc/88/71/13/562887113.db2.gz	YXLPBDGOZFVWCV-ZONZVBGPSA-N	3	0	632.851	1.536	1	30		KDEFRP
COc1ccc2c(c1)/C(=N\OC[C@H](O)C[NH+](C)C)c1c-2c(N2CCN(C[C@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121953	562899478	/nfs/dbraw/zinc/89/94/78/562899478.db2.gz	IMGYEMUXTJCTPS-DGHGYUKTSA-N	2	0	562.715	1.960	1	30		KDEFRP
COc1ccc2c(c1)/C(=N\OC[C@H](O)C[NH+](C)C)c1c-2c(N2CCN(C[C@@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121968	562899464	/nfs/dbraw/zinc/89/94/64/562899464.db2.gz	IMGYEMUXTJCTPS-MLNLVARZSA-N	2	0	562.715	1.960	1	30		KDEFRP
COc1ccc2c(c1)/C(=N\OC[C@@H](O)C[NH+](C)C)c1c-2c(N2CCN(C[C@@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121970	562899471	/nfs/dbraw/zinc/89/94/71/562899471.db2.gz	IMGYEMUXTJCTPS-RTZJZXGTSA-N	2	0	562.715	1.960	1	30		KDEFRP
COc1ccc2c(c1)/C(=N\OC[C@@H](O)C[NH+](C)C)c1c-2c(N2CCN(C[C@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121974	562899466	/nfs/dbraw/zinc/89/94/66/562899466.db2.gz	IMGYEMUXTJCTPS-ZXUAQDKJSA-N	2	0	562.715	1.960	1	30		KDEFRP
C#CCCCN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O	ZINC000474606186	562905326	/nfs/dbraw/zinc/90/53/26/562905326.db2.gz	HQBOHWPMFOTVNU-DHEQBGBRSA-N	2	0	731.880	1.455	1	30		KDEFRP
N#Cc1ccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccccc3)C(N)=O)cc2)cc1	ZINC000653779553	562912056	/nfs/dbraw/zinc/91/20/56/562912056.db2.gz	VBGHGARHECSKRI-OIFRRMEBSA-N	2	0	669.787	1.456	1	30		KDEFRP