smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1	ZINC000027187320	561842811	/nfs/dbraw/zinc/84/28/11/561842811.db2.gz	ZXWXGXKPUVYKPX-PWKGVPDKSA-N	1	3	695.996	8.363	1	30		KKEFHO
N#Cc1cccc(-c2ccc([C@@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CC[NH+](C4CCCC4)CC3)cc2)c1	ZINC000038157869	562069816	/nfs/dbraw/zinc/06/98/16/562069816.db2.gz	OKZJGDJSXQYNID-JGCGQSQUSA-N	1	3	542.102	7.380	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000049902494	562693325	/nfs/dbraw/zinc/69/33/25/562693325.db2.gz	HLLXSXCPLYJSSX-SNFVSFKRSA-N	1	3	670.522	7.255	1	30		KKEFHO
[NH3+]CCCCCN1C(Nc2ccc(-c3ccccc3)cc2)=Nc2ccccc2[C@H]1CC(=O)NCc1ccccc1	ZINC000049933074	562694869	/nfs/dbraw/zinc/69/48/69/562694869.db2.gz	NCLKJWJCTJQAEQ-JGCGQSQUSA-N	1	3	531.704	6.645	1	30		KKEFHO
CCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	ZINC000071316769	562718033	/nfs/dbraw/zinc/71/80/33/562718033.db2.gz	ZJCKJAAGYDYMLV-GOJREDGKSA-N	1	3	536.720	8.126	1	30		KKEFHO
CCCCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1	ZINC000071330587	562719178	/nfs/dbraw/zinc/71/91/78/562719178.db2.gz	NISPVHKSBITFCL-UHFFFAOYSA-N	1	3	552.763	8.187	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550201	562760017	/nfs/dbraw/zinc/76/00/17/562760017.db2.gz	FNFFHKIIVSQELF-ODDJTSCWSA-N	1	3	782.931	5.400	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550201	562760018	/nfs/dbraw/zinc/76/00/18/562760018.db2.gz	FNFFHKIIVSQELF-ODDJTSCWSA-N	1	3	782.931	5.400	1	30		KKEFHO
C[C@H]1/C(=N\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156784	562812810	/nfs/dbraw/zinc/81/28/10/562812810.db2.gz	NPPMHUYHRRXJOP-PPMPSAIGSA-N	1	3	505.968	5.628	1	30		KKEFHO
C[C@H]1/C(=[NH+]\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156784	562812811	/nfs/dbraw/zinc/81/28/11/562812811.db2.gz	NPPMHUYHRRXJOP-PPMPSAIGSA-N	1	3	505.968	5.628	1	30		KKEFHO
CCC1=C[C@@H]2CN(C1)CCc1c3ccccc3[nH]c1[C@@](C#N)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169296847	562852484	/nfs/dbraw/zinc/85/24/84/562852484.db2.gz	SDGCXPZEYBHPAE-QYFVRUCASA-N	1	3	759.948	5.147	1	30		KKEFHO
CCC1=C[C@@H]2CN(C1)CCc1c3ccccc3[nH]c1[C@@](C#N)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169296847	562852485	/nfs/dbraw/zinc/85/24/85/562852485.db2.gz	SDGCXPZEYBHPAE-QYFVRUCASA-N	1	3	759.948	5.147	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(CN2CCC[C@@H](OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000169317730	562856000	/nfs/dbraw/zinc/85/60/00/562856000.db2.gz	QKDREOIGKWPZQZ-PMDGCZDBSA-N	1	3	783.682	9.035	1	30		KKEFHO
CCN(CC)CCOc1c(C(=O)/C=C/c2ccc(OCC[NH+](CC)CC)cc2)ccc2c1C=CC(C)(C)O2	ZINC000169335174	562859625	/nfs/dbraw/zinc/85/96/25/562859625.db2.gz	CRVDLUYPKJGIAK-GHRIWEEISA-N	1	3	520.714	6.208	1	30		KKEFHO
CC[NH+](CC)CCC[C@@H](C)/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027083760	561835903	/nfs/dbraw/zinc/83/59/03/561835903.db2.gz	BHAUGLNZCIYVCK-BWMRVXFXSA-N	1	3	548.942	7.229	1	30		KKEFHO
CCN(CCO)CCC/[NH+]=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027096418	561838004	/nfs/dbraw/zinc/83/80/04/561838004.db2.gz	JNVKEZOPFMTHSA-VMRBLXROSA-N	1	3	536.887	5.422	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[N@@H+]2CCCC[C@@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027550484	561867932	/nfs/dbraw/zinc/86/79/32/561867932.db2.gz	AUQCRJDJIAOZCU-ZIBWAFEGSA-N	1	3	726.630	8.673	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[N@H+]2CCCC[C@@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027550484	561867933	/nfs/dbraw/zinc/86/79/33/561867933.db2.gz	AUQCRJDJIAOZCU-ZIBWAFEGSA-N	1	3	726.630	8.673	1	30		KKEFHO
N=C(CCCCCCCCCCCCC(=[NH2+])NOC(=O)Nc1ccccc1)NOC(=O)Nc1ccccc1	ZINC000040412141	562075303	/nfs/dbraw/zinc/07/53/03/562075303.db2.gz	XXJUHFNVIRLZJV-UHFFFAOYSA-N	1	3	524.666	6.919	1	30		KKEFHO
Oc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(OCC[NH+]4CCCC4)cc2/C3=N\OCCN2CCCC2)cc1	ZINC000082151793	562739991	/nfs/dbraw/zinc/73/99/91/562739991.db2.gz	BGUKPTSAVDMBPP-NFSLGCCLSA-N	1	3	566.677	6.066	1	30		KKEFHO
COc1ccc2c(c1OCc1cccc(COc3c(OC)ccc4c3[C@@]35CC[N@H+](C)[C@@H](C4)[C@H]3C=C(OC)C(=O)C5)c1)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550163	562759950	/nfs/dbraw/zinc/75/99/50/562759950.db2.gz	JCNDHWNQFLATCE-KBNPVKTLSA-N	1	3	760.928	6.096	1	30		KKEFHO
COc1ccc2c(c1OCc1cccc(COc3c(OC)ccc4c3[C@@]35CC[N@@H+](C)[C@@H](C4)[C@H]3C=C(OC)C(=O)C5)c1)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550163	562759951	/nfs/dbraw/zinc/75/99/51/562759951.db2.gz	JCNDHWNQFLATCE-KBNPVKTLSA-N	1	3	760.928	6.096	1	30		KKEFHO
NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCCCC2)C1	ZINC000095593882	562776353	/nfs/dbraw/zinc/77/63/53/562776353.db2.gz	NIAKGPCXIVJMCM-UHFFFAOYSA-N	1	3	655.674	6.859	1	30		KKEFHO
C[C@@H]1/C(=N\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156779	562812814	/nfs/dbraw/zinc/81/28/14/562812814.db2.gz	NPPMHUYHRRXJOP-VXYWTKDPSA-N	1	3	505.968	5.628	1	30		KKEFHO
C[C@@H]1/C(=[NH+]\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156779	562812815	/nfs/dbraw/zinc/81/28/15/562812815.db2.gz	NPPMHUYHRRXJOP-VXYWTKDPSA-N	1	3	505.968	5.628	1	30		KKEFHO
C=C[C@]12C=CC[N@@H+]3[C@@H](c4cc5c(cc4[O-])NC4=C(C(=O)OC)C[C@]6(CC)C=CC[NH+]7CC[C@]54[C@@H]76)C[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596040	562846676	/nfs/dbraw/zinc/84/66/76/562846676.db2.gz	WWPFJILTZSGXBH-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=CC[N@H+]3[C@@H](c4cc5c(cc4[O-])NC4=C(C(=O)OC)C[C@]6(CC)C=CC[NH+]7CC[C@]54[C@@H]76)C[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596040	562846677	/nfs/dbraw/zinc/84/66/77/562846677.db2.gz	WWPFJILTZSGXBH-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=CC[NH+]3[C@@H](c4cc5c(cc4[O-])NC4=C(C(=O)OC)C[C@]6(CC)C=CC[N@H+]7CC[C@]54[C@@H]76)C[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596040	562846678	/nfs/dbraw/zinc/84/66/78/562846678.db2.gz	WWPFJILTZSGXBH-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=CC[NH+]3[C@@H](c4cc5c(cc4[O-])NC4=C(C(=O)OC)C[C@]6(CC)C=CC[N@@H+]7CC[C@]54[C@@H]76)C[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596040	562846679	/nfs/dbraw/zinc/84/66/79/562846679.db2.gz	WWPFJILTZSGXBH-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCNC3=CC(=O)C(NCCNc4c5ccc(Cl)cc5[nH+]c5ccc(OC)cc54)=CC3=O)c2c1	ZINC000150599725	562847067	/nfs/dbraw/zinc/84/70/67/562847067.db2.gz	KLKNMJOUPXYLAQ-UHFFFAOYSA-N	1	3	707.618	7.036	1	30		KKEFHO
C(#CC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1	ZINC000005741590	561698053	/nfs/dbraw/zinc/69/80/53/561698053.db2.gz	HUMBBWRZWQOMRB-UHFFFAOYSA-N	1	3	554.782	7.284	1	30		KKEFHO
CN[C@H]1CCN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)C1	ZINC000013581494	561720195	/nfs/dbraw/zinc/72/01/95/561720195.db2.gz	VMEVITMYQPTNSR-DEOSSOPVSA-N	1	3	516.517	5.169	1	30		KKEFHO
CC[NH+](CC)CCC[C@H](C)/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027083767	561835874	/nfs/dbraw/zinc/83/58/74/561835874.db2.gz	BHAUGLNZCIYVCK-VUIWTNMBSA-N	1	3	548.942	7.229	1	30		KKEFHO
CCN(CC)CC(C)(C)C/[NH+]=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027099920	561838510	/nfs/dbraw/zinc/83/85/10/561838510.db2.gz	DMWNGIZJHIXVCB-XABDBMMESA-N	1	3	570.130	5.805	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027555393	561869382	/nfs/dbraw/zinc/86/93/82/561869382.db2.gz	LFGRTEFPFZAVNT-GEGMDHQYSA-N	1	3	697.548	7.138	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027555393	561869384	/nfs/dbraw/zinc/86/93/84/561869384.db2.gz	LFGRTEFPFZAVNT-GEGMDHQYSA-N	1	3	697.548	7.138	1	30		KKEFHO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCNC3CCN(c4ccccc4C(F)(F)F)CC3)NC#N)c2)C1C(=O)OC	ZINC000028458474	561924411	/nfs/dbraw/zinc/92/44/11/561924411.db2.gz	DKTNBYRKNCTDGA-IQKFOVTFSA-N	1	3	653.706	5.224	1	30	in-vivo	KKEFHO
CCCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	ZINC000071330960	562719236	/nfs/dbraw/zinc/71/92/36/562719236.db2.gz	UIOKIUVZRBZCTE-HWLOXFRGSA-N	1	3	550.747	8.516	1	30		KKEFHO
NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000095595770	562776859	/nfs/dbraw/zinc/77/68/59/562776859.db2.gz	XZOFNKRNWIKWEF-UHFFFAOYSA-N	1	3	751.681	6.581	1	30		KKEFHO
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)[C@H](CCCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1	ZINC000095612692	562785739	/nfs/dbraw/zinc/78/57/39/562785739.db2.gz	OZDVKEYRBSMIOJ-XIFFEERXSA-N	1	3	805.914	5.951	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2cccs2)=CC1=O)Cc1cccs1	ZINC000101149227	562809522	/nfs/dbraw/zinc/80/95/22/562809522.db2.gz	HNOUEYJFOGZGJQ-UHFFFAOYSA-N	1	3	584.896	6.373	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2cccs2)=CC1=O)Cc1cccs1	ZINC000101149227	562809523	/nfs/dbraw/zinc/80/95/23/562809523.db2.gz	HNOUEYJFOGZGJQ-UHFFFAOYSA-N	1	3	584.896	6.373	1	30		KKEFHO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCNC3CCN(c4ccccc4OC(F)(F)F)CC3)NC#N)c2)C1C(=O)OC	ZINC000150345658	562843201	/nfs/dbraw/zinc/84/32/01/562843201.db2.gz	SHYPRYWHAGQIQO-IQKFOVTFSA-N	1	3	669.705	5.103	1	30	in-vivo	KKEFHO
C=C[C@]12C=C[C@@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[NH+]6CC[C@]43[C@@H]65)[N@@H+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596034	562846656	/nfs/dbraw/zinc/84/66/56/562846656.db2.gz	AXXGCYQJMBDANR-WWVBXWHSSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=C[C@@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[NH+]6CC[C@]43[C@@H]65)[N@H+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596034	562846657	/nfs/dbraw/zinc/84/66/57/562846657.db2.gz	AXXGCYQJMBDANR-WWVBXWHSSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=C[C@@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[N@H+]6CC[C@]43[C@@H]65)[NH+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596034	562846658	/nfs/dbraw/zinc/84/66/58/562846658.db2.gz	AXXGCYQJMBDANR-WWVBXWHSSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=C[C@@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[N@@H+]6CC[C@]43[C@@H]65)[NH+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596034	562846659	/nfs/dbraw/zinc/84/66/59/562846659.db2.gz	AXXGCYQJMBDANR-WWVBXWHSSA-N	1	3	700.836	5.238	1	30		KKEFHO
CNC(=N)Nc1cc(C2(CC=CC(=O)CCc3ccc(O)c(OC)c3)CCCC2)cc2c1OC#CC[C@H]1C[C@](C[NH2+]C)(C[C@H]1C[C@H](O)OC)O2	ZINC000085596944	565156672	/nfs/dbraw/zinc/15/66/72/565156672.db2.gz	NPPPVEUQCKZTLF-DRNQCTEESA-N	1	3	688.866	5.388	1	30	biogenic,in-vitro	KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=N/CCCCC[NH+]1CCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027084509	561836050	/nfs/dbraw/zinc/83/60/50/561836050.db2.gz	RDGWYURKEMCOHW-DUADXOOSSA-N	1	3	546.033	6.696	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCCC1)C[C@H](c1ccc(Cl)c(Cl)c1)C2	ZINC000027091598	561837331	/nfs/dbraw/zinc/83/73/31/561837331.db2.gz	QJPGIDVTIDRRCB-LNQVIWEKSA-N	1	3	532.899	6.594	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027555395	561869392	/nfs/dbraw/zinc/86/93/92/561869392.db2.gz	LFGRTEFPFZAVNT-YNCDYFNQSA-N	1	3	697.548	7.138	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027555395	561869394	/nfs/dbraw/zinc/86/93/94/561869394.db2.gz	LFGRTEFPFZAVNT-YNCDYFNQSA-N	1	3	697.548	7.138	1	30		KKEFHO
CS(=O)(=O)O[C@H](c1ccc(C[NH2+]CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1	ZINC000028822341	561966856	/nfs/dbraw/zinc/96/68/56/561966856.db2.gz	TTXXRKZONXXSJF-UUWRZZSWSA-N	1	3	670.707	6.207	1	30		KKEFHO
CCCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1	ZINC000071296472	562717571	/nfs/dbraw/zinc/71/75/71/562717571.db2.gz	NCESDKUKCPAXKN-UHFFFAOYSA-N	1	3	538.736	7.797	1	30		KKEFHO
CCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1	ZINC000071330708	562719157	/nfs/dbraw/zinc/71/91/57/562719157.db2.gz	NWSSUJWCJDJJPF-UHFFFAOYSA-N	1	3	510.682	7.017	1	30		KKEFHO
NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCSCC2)C1	ZINC000095593861	562776362	/nfs/dbraw/zinc/77/63/62/562776362.db2.gz	NPRCZDOQTUHSCB-UHFFFAOYSA-N	1	3	673.714	6.422	1	30		KKEFHO
COc1cc(/C=C2\CC/C(=C\c3ccc(OCC[NH+]4CCCCC4)c(OC)c3)C2=O)ccc1OCCN1CCCCC1	ZINC000095596821	562777060	/nfs/dbraw/zinc/77/70/60/562777060.db2.gz	ZHUQDMBOWRHWGZ-HCTXVGCHSA-N	1	3	574.762	6.263	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000299846965	562889768	/nfs/dbraw/zinc/88/97/68/562889768.db2.gz	BDJHNEWIQASWSP-VFWIVAJTSA-N	1	3	526.728	8.007	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)[C@@H]2C)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000299846965	562889769	/nfs/dbraw/zinc/88/97/69/562889769.db2.gz	BDJHNEWIQASWSP-VFWIVAJTSA-N	1	3	526.728	8.007	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@@H](c3ccccc3)[NH2+][C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000299846965	562889770	/nfs/dbraw/zinc/88/97/70/562889770.db2.gz	BDJHNEWIQASWSP-VFWIVAJTSA-N	1	3	526.728	8.007	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCCC1)C[C@@H](c1ccc(C(F)(F)F)cc1)C2	ZINC000027084046	561835830	/nfs/dbraw/zinc/83/58/30/561835830.db2.gz	OCQZUCBHPALQLQ-AXQQZXIPSA-N	1	3	532.006	6.306	1	30		KKEFHO
CC[NH+](CC)CCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027089227	561836931	/nfs/dbraw/zinc/83/69/31/561836931.db2.gz	VFZOUWDEBIUBHR-XABDBMMESA-N	1	3	534.022	6.552	1	30		KKEFHO
CCN(CC)CC(C)(C)C/[NH+]=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027099914	561838529	/nfs/dbraw/zinc/83/85/29/561838529.db2.gz	DMWNGIZJHIXVCB-AXQQZXIPSA-N	1	3	570.130	5.805	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[N@@H+]2CCC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027551929	561868142	/nfs/dbraw/zinc/86/81/42/561868142.db2.gz	IEBPGZDVZLOWFP-DCKSCVIDSA-N	1	3	712.603	8.140	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[N@H+]2CCC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027551929	561868143	/nfs/dbraw/zinc/86/81/43/561868143.db2.gz	IEBPGZDVZLOWFP-DCKSCVIDSA-N	1	3	712.603	8.140	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027553662	561868799	/nfs/dbraw/zinc/86/87/99/561868799.db2.gz	HLLXSXCPLYJSSX-VGMGDSLCSA-N	1	3	670.522	7.255	1	30		KKEFHO
N#Cc1cccc(-c2ccc([C@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CC[NH+](C4CCCC4)CC3)cc2)c1	ZINC000038157868	562069737	/nfs/dbraw/zinc/06/97/37/562069737.db2.gz	OKZJGDJSXQYNID-YTTGMZPUSA-N	1	3	542.102	7.380	1	30		KKEFHO
N#Cc1cccc(-c2ccc([C@@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CC[NH+](CC4CC4)CC3)cc2)c1	ZINC000038157867	562069823	/nfs/dbraw/zinc/06/98/23/562069823.db2.gz	IFIJZCFVDUUXOH-WJOKGBTCSA-N	1	3	528.075	6.847	1	30		KKEFHO
CCCC[N+](C)(CCCC)CC(=O)NCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1	ZINC000071280903	562716576	/nfs/dbraw/zinc/71/65/76/562716576.db2.gz	YRHNLXGKJYIFOV-UHFFFAOYSA-O	1	3	631.253	6.530	1	30		KKEFHO
C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)cc1	ZINC000095587176	562774218	/nfs/dbraw/zinc/77/42/18/562774218.db2.gz	GHBNZZGMFQJJER-XMMPIXPASA-N	1	3	518.145	7.314	1	30		KKEFHO
C#CC[N@H+](C)[C@H](C)Cc1ccc(OCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)cc1	ZINC000095587176	562774219	/nfs/dbraw/zinc/77/42/19/562774219.db2.gz	GHBNZZGMFQJJER-XMMPIXPASA-N	1	3	518.145	7.314	1	30		KKEFHO
CCN(CCCCCCNC1=C(Cl)C(=O)C(NCCCCCC[N@H+](CC)Cc2ccccc2OC)=C(Cl)C1=O)Cc1ccccc1OC	ZINC000150541884	562844233	/nfs/dbraw/zinc/84/42/33/562844233.db2.gz	OJNIVWNIMGRIAQ-UHFFFAOYSA-N	1	3	701.780	7.400	1	30		KKEFHO
CCN(CCCCCCNC1=C(Cl)C(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)=C(Cl)C1=O)Cc1ccccc1OC	ZINC000150541884	562844234	/nfs/dbraw/zinc/84/42/34/562844234.db2.gz	OJNIVWNIMGRIAQ-UHFFFAOYSA-N	1	3	701.780	7.400	1	30		KKEFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCNC3=CC(=O)C(NCCCNc4c5ccc(Cl)cc5[nH+]c5ccc(OC)cc54)=CC3=O)c2c1	ZINC000150600039	562847096	/nfs/dbraw/zinc/84/70/96/562847096.db2.gz	RKUQCAUKBQPUCD-UHFFFAOYSA-N	1	3	735.672	7.816	1	30		KKEFHO
CCCCCCCCCCCCCCCCOC(=O)N1CCN([N+]([O-])=NOc2ccc([N+](=O)[O-])cc2[N+](C)=O)CC1	ZINC000377839590	562896260	/nfs/dbraw/zinc/89/62/60/562896260.db2.gz	NCKXYFVXOSDXHU-UHFFFAOYSA-N	1	3	580.727	6.363	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCCC1)C[C@H](c1ccc(C(F)(F)F)cc1)C2	ZINC000027084040	561835856	/nfs/dbraw/zinc/83/58/56/561835856.db2.gz	OCQZUCBHPALQLQ-XABDBMMESA-N	1	3	532.006	6.306	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027551937	561868148	/nfs/dbraw/zinc/86/81/48/561868148.db2.gz	GVFWBCYSHWYPGP-GPASVVQESA-N	1	3	682.577	8.922	1	30		KKEFHO
CCCCNC(Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)=[NH+]CCCC	ZINC000027632516	561873973	/nfs/dbraw/zinc/87/39/73/561873973.db2.gz	MWZUYJCNRGOMSC-XCQSDYEBSA-N	1	3	583.777	5.530	1	30		KKEFHO
CNCc1cc(O)cc2c1C[C@@H]1CCC[C@H](C1)[C@@]13C[C@@H]4CC[C@@H](CO)[C@@]([NH3+])([C@@H]4[C@@](C)(C4CCCCC4)O1)[C@@H]3C#CC2	ZINC000085543023	560071204	/nfs/dbraw/zinc/07/12/04/560071204.db2.gz	RGDMNJYOLNVKTG-ATTXXWKRSA-N	1	3	560.823	5.480	1	30	biogenic,in-vitro	KKEFHO
CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)c4cccc(C#N)c4)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1	ZINC000049605750	562666321	/nfs/dbraw/zinc/66/63/21/562666321.db2.gz	JREILSJXTWEGLN-UHFFFAOYSA-N	1	3	697.905	6.663	1	30		KKEFHO
C=C[C@@H]1C[N@H+]2CC[C@@]3(CNc4c3ccc([O-])c4[C@H]3CCC[NH+]3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C	ZINC000058541817	562698987	/nfs/dbraw/zinc/69/89/87/562698987.db2.gz	LLNJYWAPDLBDRC-DKNITUKRSA-N	1	3	551.779	5.819	1	30		KKEFHO
C=C[C@@H]1C[N@@H+]2CC[C@@]3(CNc4c3ccc([O-])c4[C@H]3CCC[NH+]3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C	ZINC000058541817	562698988	/nfs/dbraw/zinc/69/89/88/562698988.db2.gz	LLNJYWAPDLBDRC-DKNITUKRSA-N	1	3	551.779	5.819	1	30		KKEFHO
C=C[C@@H]1C[NH+]2CC[C@@]3(CNc4c3ccc([O-])c4[C@H]3CCC[N@@H+]3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C	ZINC000058541817	562698989	/nfs/dbraw/zinc/69/89/89/562698989.db2.gz	LLNJYWAPDLBDRC-DKNITUKRSA-N	1	3	551.779	5.819	1	30		KKEFHO
C=C[C@@H]1C[NH+]2CC[C@@]3(CNc4c3ccc([O-])c4[C@H]3CCC[N@H+]3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C	ZINC000058541817	562698990	/nfs/dbraw/zinc/69/89/90/562698990.db2.gz	LLNJYWAPDLBDRC-DKNITUKRSA-N	1	3	551.779	5.819	1	30		KKEFHO
CCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	ZINC000071297216	562717750	/nfs/dbraw/zinc/71/77/50/562717750.db2.gz	JSBZIFRQNMYETA-FADJLKOXSA-N	1	3	522.693	7.736	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2ccncc2)=CC1=O)Cc1ccncc1	ZINC000100068895	562806575	/nfs/dbraw/zinc/80/65/75/562806575.db2.gz	PBZSJALBPJPRTC-UHFFFAOYSA-N	1	3	574.814	5.040	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccncc2)=CC1=O)Cc1ccncc1	ZINC000100068895	562806576	/nfs/dbraw/zinc/80/65/76/562806576.db2.gz	PBZSJALBPJPRTC-UHFFFAOYSA-N	1	3	574.814	5.040	1	30		KKEFHO
CN[C@@H]1CCN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)C1	ZINC000013581492	561720215	/nfs/dbraw/zinc/72/02/15/561720215.db2.gz	VMEVITMYQPTNSR-XMMPIXPASA-N	1	3	516.517	5.169	1	30		KKEFHO
CC[NH+](CC)CCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027089219	561836922	/nfs/dbraw/zinc/83/69/22/561836922.db2.gz	VFZOUWDEBIUBHR-AXQQZXIPSA-N	1	3	534.022	6.552	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027089582	561836937	/nfs/dbraw/zinc/83/69/37/561836937.db2.gz	BOZCQXZOPVZRKG-GOTVHDSGSA-N	1	3	517.979	5.916	1	30		KKEFHO
CCN(CC)CCC/[NH+]=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027091637	561837318	/nfs/dbraw/zinc/83/73/18/561837318.db2.gz	NYBNZKGSJNJGFT-YMZTYVNRSA-N	1	3	542.076	5.169	1	30		KKEFHO
CCN(CCO)CCC/[NH+]=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027096411	561837953	/nfs/dbraw/zinc/83/79/53/561837953.db2.gz	JNVKEZOPFMTHSA-XKXFLAFKSA-N	1	3	536.887	5.422	1	30		KKEFHO
C(#Cc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)CN1CCCC1	ZINC000027205588	561845855	/nfs/dbraw/zinc/84/58/55/561845855.db2.gz	KQYBFRRIUIWZJW-UHFFFAOYSA-N	1	3	520.742	7.081	1	30		KKEFHO
C[C@](CC[NH+]1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1	ZINC000034804216	562043094	/nfs/dbraw/zinc/04/30/94/562043094.db2.gz	NFRGQOJVDATPMM-LJAQVGFWSA-N	1	3	566.605	8.181	1	30		KKEFHO
COc1ccc2c(c1OCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000082178719	562741784	/nfs/dbraw/zinc/74/17/84/562741784.db2.gz	FRLZLQBIKJNINF-IRKKXWSFSA-N	1	3	726.911	5.567	1	30		KKEFHO
COc1ccc2c(c1OCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000082178719	562741785	/nfs/dbraw/zinc/74/17/85/562741785.db2.gz	FRLZLQBIKJNINF-IRKKXWSFSA-N	1	3	726.911	5.567	1	30		KKEFHO
COc1ccc2c(c1OCCCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550020	562759925	/nfs/dbraw/zinc/75/99/25/562759925.db2.gz	MGAKKJOXVXCWGS-QWOVNLMKSA-N	1	3	754.965	6.347	1	30		KKEFHO
COc1ccc2c(c1OCCCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550020	562759926	/nfs/dbraw/zinc/75/99/26/562759926.db2.gz	MGAKKJOXVXCWGS-QWOVNLMKSA-N	1	3	754.965	6.347	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550200	562759987	/nfs/dbraw/zinc/75/99/87/562759987.db2.gz	DXYHFTJNRUUOSG-WKKPYYBCSA-N	1	3	768.904	5.010	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550200	562759988	/nfs/dbraw/zinc/75/99/88/562759988.db2.gz	DXYHFTJNRUUOSG-WKKPYYBCSA-N	1	3	768.904	5.010	1	30		KKEFHO
COc1ccc2c(c1OCc1ccc(COc3c(OC)ccc4c3[C@@]35CC[N@H+](C)[C@@H](C4)[C@H]3C=C(OC)C(=O)C5)cc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550252	562760061	/nfs/dbraw/zinc/76/00/61/562760061.db2.gz	NULTWVHGWKZDNG-KBNPVKTLSA-N	1	3	760.928	6.096	1	30		KKEFHO
COc1ccc2c(c1OCc1ccc(COc3c(OC)ccc4c3[C@@]35CC[N@@H+](C)[C@@H](C4)[C@H]3C=C(OC)C(=O)C5)cc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550252	562760062	/nfs/dbraw/zinc/76/00/62/562760062.db2.gz	NULTWVHGWKZDNG-KBNPVKTLSA-N	1	3	760.928	6.096	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2cccnc2)=CC1=O)Cc1cccnc1	ZINC000100068890	562806549	/nfs/dbraw/zinc/80/65/49/562806549.db2.gz	VKEXSSDEPPNXTH-UHFFFAOYSA-N	1	3	574.814	5.040	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2cccnc2)=CC1=O)Cc1cccnc1	ZINC000100068890	562806550	/nfs/dbraw/zinc/80/65/50/562806550.db2.gz	VKEXSSDEPPNXTH-UHFFFAOYSA-N	1	3	574.814	5.040	1	30		KKEFHO
O=C1C=C(NCCCCCC[NH2+]Cc2nc3ccccc3s2)C(=O)C=C1NCCCCCCNCc1nc2ccccc2s1	ZINC000101412771	562810602	/nfs/dbraw/zinc/81/06/02/562810602.db2.gz	PHMOEVJESDPKQG-UHFFFAOYSA-N	1	3	630.884	6.005	1	30		KKEFHO
CCCCn1cc[n+](Cc2ccc([O-])c(/C=N/[C@@H]3CCCC[C@H]3/N=C/c3cc(C[n+]4ccn(CCCC)c4)ccc3O)c2)c1	ZINC000103238962	562819292	/nfs/dbraw/zinc/81/92/92/562819292.db2.gz	CVFBSWGHCKTXIK-KKLWWLSJSA-P	1	3	596.820	5.822	1	30		KKEFHO
COc1ccc([C@@](C#N)(CCCCCN2CCc3cc(OC)c(OCC[NH+](C)C)cc3C2)Sc2ccc(C)cc2)cc1OC	ZINC000026269334	561776834	/nfs/dbraw/zinc/77/68/34/561776834.db2.gz	PVITUUCIOROYKQ-BHVANESWSA-N	1	3	617.856	7.091	1	30		KKEFHO
CN(C/C(=N\OCCC[N+](C)(C)C)[C@@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000027884318	561889291	/nfs/dbraw/zinc/88/92/91/561889291.db2.gz	HLBLLGYOMVQROQ-LCFGYNNLSA-N	1	3	728.613	7.492	1	30		KKEFHO
C[NH+](C)CCCO/N=C1\c2cc([O-])ccc2-c2c1c1ccccc1nc2-c1ccc(OCCC[NH+](C)C)cc1	ZINC000082156559	562740731	/nfs/dbraw/zinc/74/07/31/562740731.db2.gz	QBNFTXQCGPTBDX-NWBJSICCSA-N	1	3	524.665	5.639	1	30		KKEFHO
Oc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2c(-c2ccc(OCC[NH+]3CCCC3)cc2)nc2ccc(F)cc12	ZINC000082157244	562740842	/nfs/dbraw/zinc/74/08/42/562740842.db2.gz	BERAVPSWAIXHAX-NFSLGCCLSA-N	1	3	566.677	6.066	1	30		KKEFHO
C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095590990	562775422	/nfs/dbraw/zinc/77/54/22/562775422.db2.gz	WQOUNYVRWYXXHY-GDLZYMKVSA-N	1	3	539.808	8.221	1	30		KKEFHO
CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCC[C@@H](CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095614804	562786886	/nfs/dbraw/zinc/78/68/86/562786886.db2.gz	QOBSQVPUXRQIEE-SWMKWZHBSA-N	1	3	786.674	6.390	1	30		KKEFHO
CCCCCCNCOc1c2cc(c3c1OC[C@H](CCNC(=[NH2+])NCC(C)C)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2	ZINC000085626566	517554726	/nfs/dbraw/zinc/55/47/26/517554726.db2.gz	RNDCCKXLOWVUCC-LHXZUMEBSA-N	1	3	690.926	5.202	1	30	biogenic,in-vitro	KKEFHO
C[NH+](C)CCCCCCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027088665	561836776	/nfs/dbraw/zinc/83/67/76/561836776.db2.gz	GHIHULPHFUWEAO-DXUILHJWSA-N	1	3	548.942	7.230	1	30		KKEFHO
CCN(CC)CCC/[NH+]=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027091632	561837237	/nfs/dbraw/zinc/83/72/37/561837237.db2.gz	NYBNZKGSJNJGFT-DHGRQILESA-N	1	3	542.076	5.169	1	30		KKEFHO
CC[NH+](CC)CCC[C@@H](C)/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027083748	561835646	/nfs/dbraw/zinc/83/56/46/561835646.db2.gz	BHAUGLNZCIYVCK-PYHFJBIKSA-N	1	3	548.942	7.229	1	30		KKEFHO
Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(NC(NCc6ccccc6)=[NH+]CC6CC6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000027635249	561874288	/nfs/dbraw/zinc/87/42/88/561874288.db2.gz	VYGKEOJOVOFPGO-DAZROVDTSA-N	1	3	615.778	5.540	1	30		KKEFHO
[NH3+]CCCCCCC[NH2+]CCCCCCCNC(=O)c1cc(CCC(=O)N[O-])c(CCC(O)(c2ccccc2)c2ccccc2)[nH]1	ZINC000049746217	562674320	/nfs/dbraw/zinc/67/43/20/562674320.db2.gz	LZMQBRWLXTUHPE-UHFFFAOYSA-N	1	3	633.878	5.501	1	30		KKEFHO
CCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1	ZINC000071316372	562717917	/nfs/dbraw/zinc/71/79/17/562717917.db2.gz	VSLJYFKWLKJYHN-UHFFFAOYSA-N	1	3	524.709	7.407	1	30		KKEFHO
Oc1ccc2c(c1)/C(=N\OCCN1CCCC1)c1c-2c(-c2ccc(OCC[NH+]3CCCC3)cc2)nc2ccccc12	ZINC000082157238	562740852	/nfs/dbraw/zinc/74/08/52/562740852.db2.gz	ZOFBMPSFUVPEAG-JMUUFCRMSA-N	1	3	548.687	5.927	1	30		KKEFHO
C[C@@H]1/C(=N\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156786	562812776	/nfs/dbraw/zinc/81/27/76/562812776.db2.gz	NPPMHUYHRRXJOP-VSEHCWNKSA-N	1	3	505.968	5.628	1	30		KKEFHO
C[C@@H]1/C(=[NH+]\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156786	562812777	/nfs/dbraw/zinc/81/27/77/562812777.db2.gz	NPPMHUYHRRXJOP-VSEHCWNKSA-N	1	3	505.968	5.628	1	30		KKEFHO
CCN(CCCCCCNC1=C(Br)C(=O)C(NCCCCCC[N@H+](CC)Cc2ccccc2OC)=C(Br)C1=O)Cc1ccccc1OC	ZINC000150541851	562844240	/nfs/dbraw/zinc/84/42/40/562844240.db2.gz	UNBNSDOHDINFJF-UHFFFAOYSA-N	1	3	790.682	7.713	1	30		KKEFHO
CCN(CCCCCCNC1=C(Br)C(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)=C(Br)C1=O)Cc1ccccc1OC	ZINC000150541851	562844241	/nfs/dbraw/zinc/84/42/41/562844241.db2.gz	UNBNSDOHDINFJF-UHFFFAOYSA-N	1	3	790.682	7.713	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=N/CCCCC[NH+]1CCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027084502	561835937	/nfs/dbraw/zinc/83/59/37/561835937.db2.gz	RDGWYURKEMCOHW-QCGNYOPOSA-N	1	3	546.033	6.696	1	30		KKEFHO
C[NH+](C)CCC/N=C1\C[C@@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027086544	561836447	/nfs/dbraw/zinc/83/64/47/561836447.db2.gz	CLPLBSVGTWCRQV-TUAZGVTNSA-N	1	3	506.090	6.411	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027089588	561837112	/nfs/dbraw/zinc/83/71/12/561837112.db2.gz	BOZCQXZOPVZRKG-OCSYKJHCSA-N	1	3	517.979	5.916	1	30		KKEFHO
CC[NH+](CC)C1CCC(/N=C2\C[C@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1	ZINC000027092254	561837458	/nfs/dbraw/zinc/83/74/58/561837458.db2.gz	GVJJHURYTJCUBE-BJANXBOCSA-N	1	3	560.953	7.371	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027551943	561868210	/nfs/dbraw/zinc/86/82/10/561868210.db2.gz	GVFWBCYSHWYPGP-UVIULGBXSA-N	1	3	682.577	8.922	1	30		KKEFHO
CCCCNC(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5)=[NH+]CCCC	ZINC000027630971	561873752	/nfs/dbraw/zinc/87/37/52/561873752.db2.gz	ZRUAIILLUMGCGM-XRQFBBPYSA-N	1	3	611.831	5.251	1	30		KKEFHO
CN(C/C(=N\OCCC[NH3+])[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000027885171	561889407	/nfs/dbraw/zinc/88/94/07/561889407.db2.gz	SGBDUEZXJHDZIY-RUEZRPTRSA-N	1	3	685.524	6.744	1	30		KKEFHO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCNC3CCN(c4ccccc4OC(F)(F)F)CC3)NC#N)c2)C1C(=O)OC	ZINC000028463476	561925809	/nfs/dbraw/zinc/92/58/09/561925809.db2.gz	SHYPRYWHAGQIQO-SLPYKNDMSA-N	1	3	669.705	5.103	1	30	in-vivo	KKEFHO
CNCc1cc(O)cc2c1C[C@H]1CCC[C@@H](C1)[C@@]13CC[C@@H]([C@@](C)(C4CCCCC4)O1)[C@@]([NH3+])(CCO)[C@H]3C#CC2	ZINC000085543083	560071157	/nfs/dbraw/zinc/07/11/57/560071157.db2.gz	ZUTFLIDBRDVETE-MWFPVQDLSA-N	1	3	534.785	5.234	1	30	biogenic,in-vitro	KKEFHO
CCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	ZINC000071317360	562718215	/nfs/dbraw/zinc/71/82/15/562718215.db2.gz	MHKOAKOMZBGVAC-KEIPNQJHSA-N	1	3	508.666	7.346	1	30		KKEFHO
C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095590623	562775307	/nfs/dbraw/zinc/77/53/07/562775307.db2.gz	NQGQWZLZLZBCGY-MUUNZHRXSA-N	1	3	525.781	7.831	1	30		KKEFHO
NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCC(C(F)(F)F)CC2)C1	ZINC000095595536	562776748	/nfs/dbraw/zinc/77/67/48/562776748.db2.gz	SSLQNKGBUFHNOQ-UHFFFAOYSA-N	1	3	723.671	7.648	1	30		KKEFHO
CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCC[C@H](CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095614803	562786890	/nfs/dbraw/zinc/78/68/90/562786890.db2.gz	QOBSQVPUXRQIEE-UCQLWYMZSA-N	1	3	786.674	6.390	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2ccccn2)=CC1=O)Cc1ccccn1	ZINC000100068886	562806561	/nfs/dbraw/zinc/80/65/61/562806561.db2.gz	ZQZXUEWGYNOIRY-UHFFFAOYSA-N	1	3	574.814	5.040	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccn2)=CC1=O)Cc1ccccn1	ZINC000100068886	562806562	/nfs/dbraw/zinc/80/65/62/562806562.db2.gz	ZQZXUEWGYNOIRY-UHFFFAOYSA-N	1	3	574.814	5.040	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2ccco2)=CC1=O)Cc1ccco1	ZINC000101149233	562809514	/nfs/dbraw/zinc/80/95/14/562809514.db2.gz	YKCMZUSFFWAFBL-UHFFFAOYSA-N	1	3	552.760	5.436	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccco2)=CC1=O)Cc1ccco1	ZINC000101149233	562809515	/nfs/dbraw/zinc/80/95/15/562809515.db2.gz	YKCMZUSFFWAFBL-UHFFFAOYSA-N	1	3	552.760	5.436	1	30		KKEFHO
C[C@H]1/C(=N\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156774	562812764	/nfs/dbraw/zinc/81/27/64/562812764.db2.gz	NPPMHUYHRRXJOP-NQGDQHGFSA-N	1	3	505.968	5.628	1	30		KKEFHO
C[C@H]1/C(=[NH+]\CCCN(C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000102156774	562812765	/nfs/dbraw/zinc/81/27/65/562812765.db2.gz	NPPMHUYHRRXJOP-NQGDQHGFSA-N	1	3	505.968	5.628	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000103272479	562823086	/nfs/dbraw/zinc/82/30/86/562823086.db2.gz	BDJHNEWIQASWSP-DZQQWFCUSA-N	1	3	526.728	8.007	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)[C@@H]2C)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000103272479	562823087	/nfs/dbraw/zinc/82/30/87/562823087.db2.gz	BDJHNEWIQASWSP-DZQQWFCUSA-N	1	3	526.728	8.007	1	30		KKEFHO
O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000169291446	562851920	/nfs/dbraw/zinc/85/19/20/562851920.db2.gz	UYJXMQDQMVVXSA-LFGICVIVSA-N	1	3	674.890	7.999	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=N/CCCC[NH+]1CCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027086216	561836391	/nfs/dbraw/zinc/83/63/91/561836391.db2.gz	UGSWODAVJICNSP-XABDBMMESA-N	1	3	532.006	6.306	1	30		KKEFHO
CC[NH+](CC)CCC[C@H](C)/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027083753	561835649	/nfs/dbraw/zinc/83/56/49/561835649.db2.gz	BHAUGLNZCIYVCK-YADWIZFTSA-N	1	3	548.942	7.229	1	30		KKEFHO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(cc2CCC1)=Cc1ccc(N(C)C)cc1C3(C)C	ZINC000028530320	561934778	/nfs/dbraw/zinc/93/47/78/561934778.db2.gz	HYQGUXVDIWGTKN-NPQCAVDXSA-O	1	3	730.801	7.336	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[N@@H+]2CCC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000049902384	562693337	/nfs/dbraw/zinc/69/33/37/562693337.db2.gz	IEBPGZDVZLOWFP-BRUCSRHUSA-N	1	3	712.603	8.140	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(C[N@H+]2CCC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000049902384	562693338	/nfs/dbraw/zinc/69/33/38/562693338.db2.gz	IEBPGZDVZLOWFP-BRUCSRHUSA-N	1	3	712.603	8.140	1	30		KKEFHO
[NH3+]CCCCN(Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000049916456	562693485	/nfs/dbraw/zinc/69/34/85/562693485.db2.gz	OZUBUZYOGOSGPN-UHFFFAOYSA-N	1	3	660.552	7.977	1	30		KKEFHO
[NH3+]CCCCCN1C(Nc2ccc(-c3ccccc3)cc2)=Nc2ccccc2[C@@H]1CC(=O)NCc1ccccc1	ZINC000049933075	562694844	/nfs/dbraw/zinc/69/48/44/562694844.db2.gz	NCLKJWJCTJQAEQ-YTTGMZPUSA-N	1	3	531.704	6.645	1	30		KKEFHO
Oc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCC[NH+]4CCCC4)cc2/C3=N\OCCN2CCCC2)cc1	ZINC000082152786	562740105	/nfs/dbraw/zinc/74/01/05/562740105.db2.gz	AZOVZUBHNDKPRZ-JMUUFCRMSA-N	1	3	548.687	5.927	1	30		KKEFHO
NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCSCC2)C1	ZINC000095596657	562777052	/nfs/dbraw/zinc/77/70/52/562777052.db2.gz	TZUDZPIBLDXFKI-UHFFFAOYSA-N	1	3	701.724	5.355	1	30		KKEFHO
CCCCCCCCn1cc[n+](Cc2cc3ccccc3c(-c3c(O)c(C[n+]4ccn(CCCCCCCC)c4)cc4ccccc43)c2[O-])c1	ZINC000150523743	562843636	/nfs/dbraw/zinc/84/36/36/562843636.db2.gz	QBDXHCBKIDCNRJ-UHFFFAOYSA-P	1	3	672.958	10.067	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000299846967	562889757	/nfs/dbraw/zinc/88/97/57/562889757.db2.gz	BDJHNEWIQASWSP-WDHFMPTMSA-N	1	3	526.728	8.007	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@H]1c1ccccc1	ZINC000299846967	562889758	/nfs/dbraw/zinc/88/97/58/562889758.db2.gz	BDJHNEWIQASWSP-WDHFMPTMSA-N	1	3	526.728	8.007	1	30		KKEFHO
Cc1cc(F)ccc1[C@H]1C[C@@H](NCC[NH3+])CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000299853148	562891088	/nfs/dbraw/zinc/89/10/88/562891088.db2.gz	GODSBGCJNBWFHI-XORNHQRDSA-N	1	3	548.547	6.039	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@@H+]2CCCC[C@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1	ZINC000003994920	561693645	/nfs/dbraw/zinc/69/36/45/561693645.db2.gz	AUQCRJDJIAOZCU-IINNRZRWSA-N	1	3	726.630	8.673	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@H+]2CCCC[C@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1	ZINC000003994920	561693647	/nfs/dbraw/zinc/69/36/47/561693647.db2.gz	AUQCRJDJIAOZCU-IINNRZRWSA-N	1	3	726.630	8.673	1	30		KKEFHO
CC(C)(N)CNC(Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)=[NH+]C1CCCCC1	ZINC000013581485	561720058	/nfs/dbraw/zinc/72/00/58/561720058.db2.gz	VOAHDPCQCTZCKL-UHFFFAOYSA-N	1	3	504.506	5.393	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCC1)C[C@H](c1ccc(C(F)(F)F)cc1)C2	ZINC000027090275	561837050	/nfs/dbraw/zinc/83/70/50/561837050.db2.gz	ZFOQTWGJCURXLI-GOTVHDSGSA-N	1	3	517.979	5.916	1	30		KKEFHO
[NH2+]=C(NCc1ccc(Cl)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	ZINC000027630127	561873698	/nfs/dbraw/zinc/87/36/98/561873698.db2.gz	OAEPINWNHRSASK-ZLFJBEIYSA-N	1	3	596.131	5.153	1	30		KKEFHO
CN(C/C(=N\OCCC[NH3+])[C@@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000027885163	561889425	/nfs/dbraw/zinc/88/94/25/561889425.db2.gz	SGBDUEZXJHDZIY-BMBJNURPSA-N	1	3	685.524	6.744	1	30		KKEFHO
CNCc1cc(O)cc2c1C[C@@H]1C[C@@H](CCC(C)C)C[C@H](C1)[C@@]13CC[C@@H](C(C)(C)O1)[C@@]([NH3+])(CCO)[C@@H]3C#CC2	ZINC000085543112	560071135	/nfs/dbraw/zinc/07/11/35/560071135.db2.gz	LWMMDQKAFCAFFH-VYLOGJKHSA-N	1	3	536.801	5.336	1	30	biogenic,in-vitro	KKEFHO
COc1ccc(F)cc1C[NH2+]CCCNc1ccnc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21	ZINC000072124381	562725064	/nfs/dbraw/zinc/72/50/64/562725064.db2.gz	PWUOMUXSGIGTMZ-UHFFFAOYSA-N	1	3	551.506	7.679	1	30		KKEFHO
COc1ccc2c(c1OCCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000082178721	562741745	/nfs/dbraw/zinc/74/17/45/562741745.db2.gz	LCPCLDLSIATUIF-CNJGMTGTSA-N	1	3	740.938	5.957	1	30		KKEFHO
COc1ccc2c(c1OCCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000082178721	562741746	/nfs/dbraw/zinc/74/17/46/562741746.db2.gz	LCPCLDLSIATUIF-CNJGMTGTSA-N	1	3	740.938	5.957	1	30		KKEFHO
C#CCN(C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095591245	562775569	/nfs/dbraw/zinc/77/55/69/562775569.db2.gz	UHBQVRDIKUXATE-HHHXNRCGSA-N	1	3	511.754	7.441	1	30		KKEFHO
C#CC[N@H+](C)[C@H](C)Cc1ccc(OCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)cc1	ZINC000095592836	562776055	/nfs/dbraw/zinc/77/60/55/562776055.db2.gz	NABJRKRPLBDFTB-HSZRJFAPSA-N	1	3	504.118	6.924	1	30		KKEFHO
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)[C@H](CCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1	ZINC000095606974	562782567	/nfs/dbraw/zinc/78/25/67/562782567.db2.gz	YBXZHIHWNYKOOP-YTTGMZPUSA-N	1	3	791.887	5.561	1	30		KKEFHO
CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(N2CCC[C@H](CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095614802	562786888	/nfs/dbraw/zinc/78/68/88/562786888.db2.gz	QOBSQVPUXRQIEE-PQGZKGQESA-N	1	3	786.674	6.390	1	30		KKEFHO
C=CCN(CC=C)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCC[NH+](CC=C)CC=C)cc3c2c1	ZINC000169328142	562858260	/nfs/dbraw/zinc/85/82/60/562858260.db2.gz	WXKNIJMCRHXZFZ-UHFFFAOYSA-N	1	3	530.665	6.028	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000299846962	562889782	/nfs/dbraw/zinc/88/97/82/562889782.db2.gz	BDJHNEWIQASWSP-AEDKPJCXSA-N	1	3	526.728	8.007	1	30		KKEFHO
C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000299846962	562889783	/nfs/dbraw/zinc/88/97/83/562889783.db2.gz	BDJHNEWIQASWSP-AEDKPJCXSA-N	1	3	526.728	8.007	1	30		KKEFHO
COc1ccc([C@](C#N)(CCCCCN2CCc3cc(OC)c(OCC[NH+](C)C)cc3C2)Sc2ccc(C)cc2)cc1OC	ZINC000026269341	561776884	/nfs/dbraw/zinc/77/68/84/561776884.db2.gz	PVITUUCIOROYKQ-PSXMRANNSA-N	1	3	617.856	7.091	1	30		KKEFHO
C[NH+](C)CCC/N=C1\C[C@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027086552	561836466	/nfs/dbraw/zinc/83/64/66/561836466.db2.gz	CLPLBSVGTWCRQV-IENMMRBYSA-N	1	3	506.090	6.411	1	30		KKEFHO
C[NH+](C)CCCCCCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027088659	561836733	/nfs/dbraw/zinc/83/67/33/561836733.db2.gz	GHIHULPHFUWEAO-JGDZZUQBSA-N	1	3	548.942	7.230	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@@H+]2CCCC[C@@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027550479	561867908	/nfs/dbraw/zinc/86/79/08/561867908.db2.gz	AUQCRJDJIAOZCU-AZDNONFSSA-N	1	3	726.630	8.673	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@H+]2CCCC[C@@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027550479	561867909	/nfs/dbraw/zinc/86/79/09/561867909.db2.gz	AUQCRJDJIAOZCU-AZDNONFSSA-N	1	3	726.630	8.673	1	30		KKEFHO
CN(C/C(=N\OCCC[N+](C)(C)C)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000027884325	561889336	/nfs/dbraw/zinc/88/93/36/561889336.db2.gz	HLBLLGYOMVQROQ-VMISLOOWSA-N	1	3	728.613	7.492	1	30		KKEFHO
CCCCCCCNC(=[NH2+])Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	ZINC000038156981	562068501	/nfs/dbraw/zinc/06/85/01/562068501.db2.gz	CZMGVJNMEAHBDS-JJVQHPENSA-N	1	3	568.762	5.443	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@@H+]2CCC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000049902381	562693351	/nfs/dbraw/zinc/69/33/51/562693351.db2.gz	IEBPGZDVZLOWFP-XNYSBZOGSA-N	1	3	712.603	8.140	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@H+]2CCC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000049902381	562693352	/nfs/dbraw/zinc/69/33/52/562693352.db2.gz	IEBPGZDVZLOWFP-XNYSBZOGSA-N	1	3	712.603	8.140	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550166	562759963	/nfs/dbraw/zinc/75/99/63/562759963.db2.gz	DGZWWKDGJCYMIG-OQXZIKJGSA-N	1	3	796.958	5.790	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550166	562759964	/nfs/dbraw/zinc/75/99/64/562759964.db2.gz	DGZWWKDGJCYMIG-OQXZIKJGSA-N	1	3	796.958	5.790	1	30		KKEFHO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCNC3CCN(c4ccccc4C(F)(F)F)CC3)NC#N)c2)C1C(=O)OC	ZINC000150345663	562843195	/nfs/dbraw/zinc/84/31/95/562843195.db2.gz	DKTNBYRKNCTDGA-SLPYKNDMSA-N	1	3	653.706	5.224	1	30	in-vivo	KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=N/CCCCCC[NH+]1CCCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027086528	561836439	/nfs/dbraw/zinc/83/64/39/561836439.db2.gz	MXKWUMBNDGSUQM-DRKOBAACSA-N	1	3	574.087	7.476	1	30		KKEFHO
O=C(N[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1	ZINC000027187333	561842793	/nfs/dbraw/zinc/84/27/93/561842793.db2.gz	ZXWXGXKPUVYKPX-YBUKMOPRSA-N	1	3	695.996	8.363	1	30		KKEFHO
O=C(CCCCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c1ccccc1)c1ccccc1)N[O-]	ZINC000029054683	561994720	/nfs/dbraw/zinc/99/47/20/561994720.db2.gz	ZGESWGKPIJDLON-UHFFFAOYSA-N	1	3	538.777	5.301	1	30		KKEFHO
N#Cc1cccc(-c2ccc([C@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CC[NH+](CC4CC4)CC3)cc2)c1	ZINC000038157866	562069775	/nfs/dbraw/zinc/06/97/75/562069775.db2.gz	IFIJZCFVDUUXOH-HKBQPEDESA-N	1	3	528.075	6.847	1	30		KKEFHO
CCCCCCC[NH+](CCCCCCC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000038158058	562070031	/nfs/dbraw/zinc/07/00/31/562070031.db2.gz	VCWKVINQNPCMNX-UHFFFAOYSA-N	1	3	558.299	7.941	1	30		KKEFHO
CNCc1cc(O)cc2c1C[C@H]1C[C@@H](CCC(C)C)C[C@@H](C1)[C@@]13C[C@@H]4CC[C@@H](CO)[C@@]([NH3+])([C@@H]4C(C)(C)O1)[C@@H]3C#CC2	ZINC000085543064	560071246	/nfs/dbraw/zinc/07/12/46/560071246.db2.gz	NCDHBQCWXULBIV-HZGPMCLRSA-N	1	3	562.839	5.582	1	30	biogenic,in-vitro	KKEFHO
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)[C@H](CCCC[NH3+])[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1	ZINC000095541677	562756253	/nfs/dbraw/zinc/75/62/53/562756253.db2.gz	KGVCQYGFCAZHMO-PMERELPUSA-N	1	3	762.825	5.203	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(CN2CCC[C@H](OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095548344	562759296	/nfs/dbraw/zinc/75/92/96/562759296.db2.gz	QKDREOIGKWPZQZ-ZXCIVTBDSA-N	1	3	783.682	9.035	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550182	562760000	/nfs/dbraw/zinc/76/00/00/562760000.db2.gz	XRFQIWFPICZYDD-WVLBPAQXSA-N	1	3	810.985	6.180	1	30		KKEFHO
COc1ccc2c(c1OC(=O)CCCCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000095550182	562760001	/nfs/dbraw/zinc/76/00/01/562760001.db2.gz	XRFQIWFPICZYDD-WVLBPAQXSA-N	1	3	810.985	6.180	1	30		KKEFHO
C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)cc1	ZINC000095586535	562773988	/nfs/dbraw/zinc/77/39/88/562773988.db2.gz	NXNSSEKZKUPRMX-AREMUKBSSA-N	1	3	546.199	8.095	1	30		KKEFHO
C#CC[N@H+](C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3ccc(Cl)cc3nc3c2CCCC3)cc1	ZINC000095586535	562773989	/nfs/dbraw/zinc/77/39/89/562773989.db2.gz	NXNSSEKZKUPRMX-AREMUKBSSA-N	1	3	546.199	8.095	1	30		KKEFHO
CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCC[C@@H](CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095614805	562786883	/nfs/dbraw/zinc/78/68/83/562786883.db2.gz	QOBSQVPUXRQIEE-KYAYPKHLSA-N	1	3	786.674	6.390	1	30		KKEFHO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=S)NCCCN3CCN(C4CCCCC4)CC3)c2)C1C(=O)OC	ZINC000100040188	562806295	/nfs/dbraw/zinc/80/62/95/562806295.db2.gz	QCNFVFRZRPUYAO-NPAJZZOTSA-N	1	3	583.799	5.146	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2cccc(OC)c2)=CC1=O)Cc1cccc(OC)c1	ZINC000101149156	562809538	/nfs/dbraw/zinc/80/95/38/562809538.db2.gz	WDAJTWMMIMSMEW-UHFFFAOYSA-N	1	3	632.890	6.267	1	30		KKEFHO
CCN(CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2cccc(OC)c2)=CC1=O)Cc1cccc(OC)c1	ZINC000101149156	562809539	/nfs/dbraw/zinc/80/95/39/562809539.db2.gz	WDAJTWMMIMSMEW-UHFFFAOYSA-N	1	3	632.890	6.267	1	30		KKEFHO
c1ccc2c(c1)[nH]c1c2ccnc1[C@@H]1[C@@H]2O[C@@]23CC/C=C\CCCC[N@@H+]2CC[C@@H]1[C@@]1(C2)CC/C=C\CCCCN[C@@H]31	ZINC000102166063	562812772	/nfs/dbraw/zinc/81/27/72/562812772.db2.gz	VLWWSOADVQPMJO-ZOSDTVTQSA-N	1	3	550.791	7.258	1	30		KKEFHO
c1ccc2c(c1)[nH]c1c2ccnc1[C@@H]1[C@@H]2O[C@@]23CC/C=C\CCCC[N@H+]2CC[C@@H]1[C@@]1(C2)CC/C=C\CCCCN[C@@H]31	ZINC000102166063	562812773	/nfs/dbraw/zinc/81/27/73/562812773.db2.gz	VLWWSOADVQPMJO-ZOSDTVTQSA-N	1	3	550.791	7.258	1	30		KKEFHO
C=C[C@]12C=C[C@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[NH+]6CC[C@]43[C@@H]65)[N@@H+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596028	562846631	/nfs/dbraw/zinc/84/66/31/562846631.db2.gz	AXXGCYQJMBDANR-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=C[C@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[NH+]6CC[C@]43[C@@H]65)[N@H+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596028	562846632	/nfs/dbraw/zinc/84/66/32/562846632.db2.gz	AXXGCYQJMBDANR-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=C[C@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[N@H+]6CC[C@]43[C@@H]65)[NH+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596028	562846633	/nfs/dbraw/zinc/84/66/33/562846633.db2.gz	AXXGCYQJMBDANR-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
C=C[C@]12C=C[C@H](c3cc4c(cc3[O-])NC3=C(C(=O)OC)C[C@]5(CC)C=CC[N@@H+]6CC[C@]43[C@@H]65)[NH+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32	ZINC000150596028	562846634	/nfs/dbraw/zinc/84/66/34/562846634.db2.gz	AXXGCYQJMBDANR-UKBNPBOMSA-N	1	3	700.836	5.238	1	30		KKEFHO
CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CC[NH+]1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000026403944	561789170	/nfs/dbraw/zinc/78/91/70/561789170.db2.gz	WBTKINCCINTBEY-KFZUGWGMSA-N	1	3	715.510	6.097	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=N/CCCC[NH+]1CCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027086223	561836384	/nfs/dbraw/zinc/83/63/84/561836384.db2.gz	UGSWODAVJICNSP-AXQQZXIPSA-N	1	3	532.006	6.306	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=N/CCCCCC[NH+]1CCCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2	ZINC000027086520	561836501	/nfs/dbraw/zinc/83/65/01/561836501.db2.gz	MXKWUMBNDGSUQM-KWGJLXHSSA-N	1	3	574.087	7.476	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@@H+]2CCC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027551925	561868172	/nfs/dbraw/zinc/86/81/72/561868172.db2.gz	IEBPGZDVZLOWFP-AVPZYALRSA-N	1	3	712.603	8.140	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(C[N@H+]2CCC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027551925	561868174	/nfs/dbraw/zinc/86/81/74/561868174.db2.gz	IEBPGZDVZLOWFP-AVPZYALRSA-N	1	3	712.603	8.140	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000027553657	561868769	/nfs/dbraw/zinc/86/87/69/561868769.db2.gz	HLLXSXCPLYJSSX-DKILBFSYSA-N	1	3	670.522	7.255	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000049902491	562693343	/nfs/dbraw/zinc/69/33/43/562693343.db2.gz	HLLXSXCPLYJSSX-ZVYFXHHISA-N	1	3	670.522	7.255	1	30		KKEFHO
CCCCCCCCCCCCCCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064573338	562708694	/nfs/dbraw/zinc/70/86/94/562708694.db2.gz	HCWOHFLLZXLXPG-HKBQPEDESA-N	1	3	518.851	7.632	1	30		KKEFHO
C[NH+](C)CCCO/N=C1\c2cc([O-])ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCCC[NH+](C)C)cc1	ZINC000082157242	562740862	/nfs/dbraw/zinc/74/08/62/562740862.db2.gz	ORHPOPOQWJUEGH-LVYIWIAJSA-N	1	3	542.655	5.778	1	30		KKEFHO
COc1ccc2c(c1OCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000082178713	562741775	/nfs/dbraw/zinc/74/17/75/562741775.db2.gz	VWNSBGNNWAMKGF-XLASSFDUSA-N	1	3	712.884	5.176	1	30		KKEFHO
COc1ccc2c(c1OCCCCOc1c(OC)ccc3c1[C@@]14CC[N@@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3	ZINC000082178713	562741776	/nfs/dbraw/zinc/74/17/76/562741776.db2.gz	VWNSBGNNWAMKGF-XLASSFDUSA-N	1	3	712.884	5.176	1	30		KKEFHO
CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(CN2CCC[C@@H](OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095548343	562759290	/nfs/dbraw/zinc/75/92/90/562759290.db2.gz	QKDREOIGKWPZQZ-TWBNNKTJSA-N	1	3	783.682	9.035	1	30		KKEFHO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=S)NCCCN3CCC(c4cccc(OC)c4)CC3)c2)C1C(=O)OC	ZINC000100040194	562806302	/nfs/dbraw/zinc/80/63/02/562806302.db2.gz	DKRKVNNABQANQQ-RFRSNRLQSA-N	1	3	606.789	6.084	1	30		KKEFHO
CCN(CCCCCCNC1=C(F)C(=O)C(NCCCCCCN(CC)Cc2ccccc2OC)=C(F)C1=O)Cc1ccccc1OC	ZINC000150541839	562844246	/nfs/dbraw/zinc/84/42/46/562844246.db2.gz	IXPJIDYZLDKESL-UHFFFAOYSA-N	1	3	668.870	6.862	1	30		KKEFHO
CCN(CCCCCCNC1=C(F)C(=O)C(NCCCCCC[N@H+](CC)Cc2ccccc2OC)=C(F)C1=O)Cc1ccccc1OC	ZINC000150541839	562844247	/nfs/dbraw/zinc/84/42/47/562844247.db2.gz	IXPJIDYZLDKESL-UHFFFAOYSA-N	1	3	668.870	6.862	1	30		KKEFHO
CCN(CCCCCCNC1=C(F)C(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)=C(F)C1=O)Cc1ccccc1OC	ZINC000150541839	562844248	/nfs/dbraw/zinc/84/42/48/562844248.db2.gz	IXPJIDYZLDKESL-UHFFFAOYSA-N	1	3	668.870	6.862	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCC1)C[C@@H](c1ccc(C(F)(F)F)cc1)C2	ZINC000027090282	561837151	/nfs/dbraw/zinc/83/71/51/561837151.db2.gz	ZFOQTWGJCURXLI-OCSYKJHCSA-N	1	3	517.979	5.916	1	30		KKEFHO
O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCN1CCCCC1)C[C@@H](c1ccc(Cl)c(Cl)c1)C2	ZINC000027091605	561837349	/nfs/dbraw/zinc/83/73/49/561837349.db2.gz	QJPGIDVTIDRRCB-NTMICLKYSA-N	1	3	532.899	6.594	1	30		KKEFHO
CC[NH+](CC)C1CCC(/N=C2\C[C@@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1	ZINC000027092248	561837442	/nfs/dbraw/zinc/83/74/42/561837442.db2.gz	GVJJHURYTJCUBE-LGKYDEMVSA-N	1	3	560.953	7.371	1	30		KKEFHO
CS(=O)(=O)O[C@@H](c1ccc(C[NH2+]CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1	ZINC000028822340	561966899	/nfs/dbraw/zinc/96/68/99/561966899.db2.gz	TTXXRKZONXXSJF-UMSFTDKQSA-N	1	3	670.707	6.207	1	30		KKEFHO
CNCc1cc(O)cc2c1C[C@@H]1CCC[C@H](C1)[C@@]13C[C@@H]4CC[C@H](CO)[C@@]([NH3+])([C@@H]4[C@@](C)(C4CCCC4)O1)[C@@H]3C#CC2	ZINC000085543045	560071209	/nfs/dbraw/zinc/07/12/09/560071209.db2.gz	XFHOQABPSUNHNK-RCHGPHNCSA-N	1	3	546.796	5.090	1	30	biogenic,in-vitro	KKEFHO
N#Cc1ccc(-c2ccc(C(=O)NCCCC[N@H+]3CC=C(c4ccc5c(c4OCC4CC4)CCCC5)CC3)cc2)cc1	ZINC000049746544	562674456	/nfs/dbraw/zinc/67/44/56/562674456.db2.gz	KJSNXDDQDXKVNB-UHFFFAOYSA-N	1	3	559.754	7.192	1	30		KKEFHO
N#Cc1ccc(-c2ccc(C(=O)NCCCC[N@@H+]3CC=C(c4ccc5c(c4OCC4CC4)CCCC5)CC3)cc2)cc1	ZINC000049746544	562674457	/nfs/dbraw/zinc/67/44/57/562674457.db2.gz	KJSNXDDQDXKVNB-UHFFFAOYSA-N	1	3	559.754	7.192	1	30		KKEFHO
CCCCCCCCCCCCCCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064573340	562708669	/nfs/dbraw/zinc/70/86/69/562708669.db2.gz	HCWOHFLLZXLXPG-WJOKGBTCSA-N	1	3	518.851	7.632	1	30		KKEFHO
NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCCCC2)C1	ZINC000095595643	562776772	/nfs/dbraw/zinc/77/67/72/562776772.db2.gz	CSROLUABTPSTFR-UHFFFAOYSA-N	1	3	683.684	5.793	1	30		KKEFHO
Oc1cccc2c3ccnc([C@@H]4[C@@H]5O[C@@]56CC/C=C\CCCC[N@@H+]5CC[C@@H]4[C@@]4(C5)CC/C=C\CCCCN[C@@H]64)c3[nH]c21	ZINC000102167504	562812824	/nfs/dbraw/zinc/81/28/24/562812824.db2.gz	QKBZTZVPMNKKGN-QFQJZDFCSA-N	1	3	566.790	6.964	1	30		KKEFHO
Oc1cccc2c3ccnc([C@@H]4[C@@H]5O[C@@]56CC/C=C\CCCC[N@H+]5CC[C@@H]4[C@@]4(C5)CC/C=C\CCCCN[C@@H]64)c3[nH]c21	ZINC000102167504	562812825	/nfs/dbraw/zinc/81/28/25/562812825.db2.gz	QKBZTZVPMNKKGN-QFQJZDFCSA-N	1	3	566.790	6.964	1	30		KKEFHO
CCCCCCCCCCN(Cc1c2ccccc2c(Cl)c2ccccc21)C(=O)[C@@H](N)CCCC[NH3+]	ZINC000103256882	562820897	/nfs/dbraw/zinc/82/08/97/562820897.db2.gz	AAOOEAPMLUGBQU-LJAQVGFWSA-N	1	3	510.166	7.572	1	30		KKEFHO