smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[n+]1c(C=C2C=C3C=C([NH+]4CCSCCOCCSCC4)CC[C@H]3CC2)sc2ccccc21	ZINC000685944401	1070943020	/nfs/dbraw/zinc/94/30/20/1070943020.db2.gz	HWOGNUMLZHPEID-HSZRJFAPSA-N	2	0	513.818	6.467	50	0		KKAARP
C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)C[NH+]2CCCCC2)c1)Cc1cccc2cccnc21	ZINC000012159383	1071236714	/nfs/dbraw/zinc/23/67/14/1071236714.db2.gz	WOUUPFRMPVKLJF-LJAQVGFWSA-N	2	0	514.714	5.503	50	0		KKAARP
c1ccc(C([NH2+]CCCCC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	ZINC000004552080	552466419	/nfs/dbraw/zinc/46/64/19/552466419.db2.gz	MUURRXCKVZPVOK-UHFFFAOYSA-N	2	0	586.823	9.320	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCC)cc2)C[NH+](CC)CC)cc1	ZINC000006511907	552597508	/nfs/dbraw/zinc/59/75/08/552597508.db2.gz	ASTADIVAIXQGGP-HNRBIFIRSA-N	2	0	524.746	6.246	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](C[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000008732641	553130332	/nfs/dbraw/zinc/13/03/32/553130332.db2.gz	CHGIQXRICGGUOO-QRRGNZNSSA-N	2	0	562.795	6.924	50	0		KKAARP
C[NH+](C)C[C@H](CC[C@@H](C[NH+](C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1	ZINC000008925978	553190879	/nfs/dbraw/zinc/19/08/79/553190879.db2.gz	KFEZGJFTVICLIJ-HEVIKAOCSA-N	2	0	536.760	5.994	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CC[NH+]1C)Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3C2	ZINC000070665313	553596096	/nfs/dbraw/zinc/59/60/96/553596096.db2.gz	CASHVZNATRNXDE-IHLOFXLRSA-N	2	0	608.735	6.859	50	0	biogenic,in-vitro	KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785648	553713103	/nfs/dbraw/zinc/71/31/03/553713103.db2.gz	JCFZFJXVZYBZTM-AQOUDTPCSA-N	2	0	604.876	8.094	50	0		KKAARP
O[C@@H](COc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000097944140	553768740	/nfs/dbraw/zinc/76/87/40/553768740.db2.gz	HOBJQNDPHXNUGP-XPSQVAKYSA-N	2	0	616.802	6.571	50	0		KKAARP
CC[NH+]1CCN(c2c(C[N@@H+](Cc3ccc(C(C)C)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1	ZINC000034836376	554020517	/nfs/dbraw/zinc/02/05/17/554020517.db2.gz	VFRUBCBEVOFWPN-UHFFFAOYSA-N	2	0	505.726	6.243	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OCCCC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000049722942	554324704	/nfs/dbraw/zinc/32/47/04/554324704.db2.gz	QSEPURCOSLFTNS-RNPORBBMSA-N	2	0	580.854	7.899	50	0		KKAARP
O[C@H](COc1ccc(OC[C@@H](O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000049763206	554325393	/nfs/dbraw/zinc/32/53/93/554325393.db2.gz	GXJZUJYXQQSZAJ-HEVIKAOCSA-N	2	0	722.930	5.941	50	0		KKAARP
Cc1nc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000101831973	554841629	/nfs/dbraw/zinc/84/16/29/554841629.db2.gz	NGIHPSCSJBTFOH-UHFFFAOYSA-N	2	0	569.754	5.271	50	0		KKAARP
CSc1ccc(NC(=O)CC[C@H]2CN(Cc3cccnc3)CC[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000101889691	554846216	/nfs/dbraw/zinc/84/62/16/554846216.db2.gz	CUAGNCQUIQXJME-SETSBSEESA-N	2	0	597.751	6.254	50	0		KKAARP
Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)[N@H+](CC3CCCCC3)C2)n1	ZINC000102031481	554867842	/nfs/dbraw/zinc/86/78/42/554867842.db2.gz	FQTKPTHECXOANK-VTEGQJLWSA-N	2	0	551.845	5.178	50	0		KKAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000102406052	554920883	/nfs/dbraw/zinc/92/08/83/554920883.db2.gz	LTPNREFXLJNFGW-WTGSTYHVSA-N	2	0	538.736	5.006	50	0		KKAARP
S=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1	ZINC000205731319	562875850	/nfs/dbraw/zinc/87/58/50/562875850.db2.gz	GVBYQYRUQTVCSX-UHFFFAOYSA-N	2	0	695.059	6.709	50	0	in-vitro	KKAARP
CN1c2ccccc2C(C)(C)C1=CC=C(C=CC1=[N+](C)c2ccccc2C1(C)C)C=Cc1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1	ZINC000685944649	1070945007	/nfs/dbraw/zinc/94/50/07/1070945007.db2.gz	YUCNNSIJQXNNSK-QAVVBOBSSA-N	2	0	656.939	11.193	50	0		KKAARP
CC[n+]1c(/C=C/C(=C/C=C2\C=Cc3ccccc3N2CC)/C=C/c2sc3ccccc3[n+]2CC)sc2ccccc21	ZINC000685944294	1070941210	/nfs/dbraw/zinc/94/12/10/1070941210.db2.gz	ISJBLEGDVXKXHG-UHFFFAOYSA-N	2	0	573.831	8.821	50	0		KKAARP
Brc1ccc(/C=[NH+]/CCC23CC4CC(C2)CC(CC/[NH+]=C\c2ccc(Br)cc2)(C4)C3)cc1	ZINC000110286561	1071340457	/nfs/dbraw/zinc/34/04/57/1071340457.db2.gz	QCKQVWLMQKZYME-ACZHWQJQSA-N	2	0	556.386	8.116	50	0		KKAARP
C[n+]1c(-c2ccccc2)cc(CCCCc2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1-c1ccccc1	ZINC000003163545	552297712	/nfs/dbraw/zinc/29/77/12/552297712.db2.gz	FXCDWSMBGCLNKT-UHFFFAOYSA-N	2	0	546.758	8.569	50	0		KKAARP
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21	ZINC000003871824	552421038	/nfs/dbraw/zinc/42/10/38/552421038.db2.gz	AJMJJYUKTZBJKQ-UHFFFAOYSA-P	2	0	512.786	7.731	50	0	aggregator	KKAARP
c1ccc(C([NH2+]CCCCCC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	ZINC000004566687	552467873	/nfs/dbraw/zinc/46/78/73/552467873.db2.gz	UITJEZCJASXRPT-UHFFFAOYSA-N	2	0	600.850	9.710	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+](C)C)C(=O)c2ccc(OCCCC)cc2)C[NH+](C)C)cc1	ZINC000006480901	552593761	/nfs/dbraw/zinc/59/37/61/552593761.db2.gz	FPDLWBOUWZTYBH-VSGBNLITSA-N	2	0	524.746	6.246	50	0		KKAARP
Clc1ccc2c(c1)nccc2N1CC[NH+](CCCC[NH+]2CCN(c3ccnc4cc(Cl)ccc43)CC2)CC1	ZINC000008400972	553005797	/nfs/dbraw/zinc/00/57/97/553005797.db2.gz	OETZEDXYTJPLEL-UHFFFAOYSA-N	2	0	549.550	5.814	50	0		KKAARP
C[NH+](C)C[C@@H](CC[C@@H](C[NH+](C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1	ZINC000008925977	553190881	/nfs/dbraw/zinc/19/08/81/553190881.db2.gz	KFEZGJFTVICLIJ-AQOUDTPCSA-N	2	0	536.760	5.994	50	0		KKAARP
CC[NH+](CC)CCCOC(=O)c1c(C)oc2cc3c(cc21)oc(C)c3C(=O)OCCC[NH+](CC)CC	ZINC000009556756	553279068	/nfs/dbraw/zinc/27/90/68/553279068.db2.gz	YCZNXXDDCILAMM-UHFFFAOYSA-N	2	0	500.636	5.573	50	0		KKAARP
Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000009731842	553302693	/nfs/dbraw/zinc/30/26/93/553302693.db2.gz	FMHXOCXMXICYSD-UHFFFAOYSA-N	2	0	509.094	5.542	50	0		KKAARP
O=c1c(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	ZINC000014882492	553521000	/nfs/dbraw/zinc/52/10/00/553521000.db2.gz	AOXMIEVHXXMWRO-PMERELPUSA-N	2	0	530.068	5.749	50	0		KKAARP
O=c1c(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	ZINC000014882493	553521048	/nfs/dbraw/zinc/52/10/48/553521048.db2.gz	AOXMIEVHXXMWRO-SSEXGKCCSA-N	2	0	530.068	5.749	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000073331412	553653191	/nfs/dbraw/zinc/65/31/91/553653191.db2.gz	HGNHIFJNOKGSKI-FQLXRVMXSA-N	2	0	608.735	6.859	50	0	endogenous,in-man	KKAARP
COc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740217	553711614	/nfs/dbraw/zinc/71/16/14/553711614.db2.gz	WZVXOSLRDCQYGW-RNPORBBMSA-N	2	0	548.768	6.534	50	0		KKAARP
O[C@H](COc1ccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000097944141	553768787	/nfs/dbraw/zinc/76/87/87/553768787.db2.gz	HOBJQNDPHXNUGP-UWXQCODUSA-N	2	0	616.802	6.571	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CC[NH+]1C)Oc1cc3c(cc1OC)CC[N@@H+](C)[C@H]3C2	ZINC000030726958	553855400	/nfs/dbraw/zinc/85/54/00/553855400.db2.gz	CASHVZNATRNXDE-KYJUHHDHSA-N	2	0	608.735	6.859	50	0	biogenic,in-vitro	KKAARP
O[C@@H](COc1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000097997033	554039296	/nfs/dbraw/zinc/03/92/96/554039296.db2.gz	FICDOSLWBCUQQL-ZRKBJOGQSA-N	2	0	726.962	5.980	50	0		KKAARP
COc1cc2c(cc1OCCC[NH+]1CCCCC1)[nH+]ccc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1	ZINC000100012464	554181041	/nfs/dbraw/zinc/18/10/41/554181041.db2.gz	SGVQMZVRLBDVCF-UHFFFAOYSA-N	2	0	561.727	5.640	50	0	in-vitro	KKAARP
COc1ccc(C([NH2+]CCCCCCOP(OCCC#N)[NH+](C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1	ZINC000101094567	554584031	/nfs/dbraw/zinc/58/40/31/554584031.db2.gz	YBANXOPIYSVPMH-UHFFFAOYSA-N	2	0	589.761	8.430	50	0		KKAARP
Cc1ccc(C)c(C[N@@H+]2C[C@@H](Sc3nccc(C)n3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1	ZINC000101864107	554844838	/nfs/dbraw/zinc/84/48/38/554844838.db2.gz	MRQLJCFBFBCLIS-CRNNKKFJSA-N	2	0	559.824	5.106	50	0		KKAARP
COc1ccccc1N1CCN(C(=O)CC[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]2[NH+](C)C)CC1	ZINC000102639129	554990565	/nfs/dbraw/zinc/99/05/65/554990565.db2.gz	OZQSGMPTXTXKBE-XDFJSJKPSA-N	2	0	554.779	5.208	50	0		KKAARP
Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc21	ZINC000377829920	562896211	/nfs/dbraw/zinc/89/62/11/562896211.db2.gz	AJMJJYUKTZBJKQ-UHFFFAOYSA-N	2	0	510.770	8.553	50	0		KKAARP
CC(C)(c1cc(Br)c(OC[C@H](O)C[NH+]2CCCCC2)c(Br)c1)c1cc(Br)c(OC[C@H](O)C[NH+]2CCCCC2)c(Br)c1	ZINC000150356601	571463291	/nfs/dbraw/zinc/46/32/91/571463291.db2.gz	QHSOWUWEVOQBOV-DNQXCXABSA-N	2	0	826.303	7.514	50	0		KKAARP
CC(C)(c1cc(Br)c(OC[C@H](O)C[NH+]2CCCCCC2)c(Br)c1)c1cc(Br)c(OC[C@H](O)C[NH+]2CCCCCC2)c(Br)c1	ZINC000150362790	571464185	/nfs/dbraw/zinc/46/41/85/571464185.db2.gz	AFUAUZQLJVZUDG-CLJLJLNGSA-N	2	0	854.357	8.294	50	0		KKAARP
CC[NH+](CC)CCCOC(=O)C1C(c2ccccc2)C(C(=O)OCCC[NH+](CC)CC)C1c1ccccc1	ZINC000022016378	1069756300	/nfs/dbraw/zinc/75/63/00/1069756300.db2.gz	KTOCHAPHSVCAMP-UHFFFAOYSA-N	2	0	522.730	5.350	50	0		KKAARP
c1ccc(C[Si](Cc2ccccc2)(Cc2ccccc2)[NH+]2CCC[N@@H+]([Si](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)CC2)cc1	ZINC000169817270	1071133045	/nfs/dbraw/zinc/13/30/45/1071133045.db2.gz	HFCXHMDARKAUQP-UHFFFAOYSA-N	2	0	701.119	9.577	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCCC)cc2)C[NH+](C)C)cc1	ZINC000006480868	552593735	/nfs/dbraw/zinc/59/37/35/552593735.db2.gz	CETPKDROUAYFOD-KYJUHHDHSA-N	2	0	552.800	7.026	50	0		KKAARP
COc1ccc(C(=O)[C@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000009046804	553204312	/nfs/dbraw/zinc/20/43/12/553204312.db2.gz	WUCCTPWXHXLLMT-HNRBIFIRSA-N	2	0	520.714	5.754	50	0		KKAARP
c1ccc(CC[N@H+]2[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]([NH2+]Cc3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000009347631	553244371	/nfs/dbraw/zinc/24/43/71/553244371.db2.gz	MTFXVXUBNOYWNP-ZQWQDMLBSA-N	2	0	522.736	8.360	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785619	553713129	/nfs/dbraw/zinc/71/31/29/553713129.db2.gz	QTPUABBGOFNODG-MEKGRNQZSA-N	2	0	576.822	7.314	50	0		KKAARP
COc1cc(-c2ccc(-n3nc(-c4ccccc4)n[n+]3-c3ccccc3)c(OC)c2)ccc1-n1nc(-c2ccccc2)n[n+]1-c1ccccc1	ZINC000029130731	553844383	/nfs/dbraw/zinc/84/43/83/553844383.db2.gz	IPHKOIQHBLKHPT-UHFFFAOYSA-N	2	0	656.750	6.420	50	0	in-vitro	KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000100758580	554467474	/nfs/dbraw/zinc/46/74/74/554467474.db2.gz	DFOCUWZXJBAUSQ-WDYNHAJCSA-N	2	0	608.735	6.859	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000102604307	554978141	/nfs/dbraw/zinc/97/81/41/554978141.db2.gz	BIIAQGUARVZTSC-HEVIKAOCSA-N	2	0	604.876	8.094	50	0		KKAARP
c1ccc2c(c1)[nH+]c(N[C@@H]1CCCC[C@H]1Nc1cc(N3CCCC3)c3ccccc3[nH+]1)cc2N1CCCC1	ZINC000141769247	571456111	/nfs/dbraw/zinc/45/61/11/571456111.db2.gz	LAROGWWYQDAUPL-VSGBNLITSA-N	2	0	506.698	6.819	50	0		KKAARP
CC(C)(c1cc(Br)c(OC[C@@H](O)C[NH+]2CCCCCC2)c(Br)c1)c1cc(Br)c(OC[C@@H](O)C[NH+]2CCCCCC2)c(Br)c1	ZINC000150362798	571464127	/nfs/dbraw/zinc/46/41/27/571464127.db2.gz	AFUAUZQLJVZUDG-UIOOFZCWSA-N	2	0	854.357	8.294	50	0		KKAARP
CC1(C2(C)C=C[NH+](C(c3ccccc3)c3ccccc3)C=C2)C=C[NH+](C(c2ccccc2)c2ccccc2)C=C1	ZINC000198750784	571568819	/nfs/dbraw/zinc/56/88/19/571568819.db2.gz	VXMXYWIZBGDCEZ-UHFFFAOYSA-N	2	0	520.720	9.264	50	0		KKAARP
O=C(NCCCC[NH+]1CCCCC1)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)NCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1	ZINC000239309371	572193544	/nfs/dbraw/zinc/19/35/44/572193544.db2.gz	HLTBYAGXBNZEQI-JFQKCFOJSA-N	2	0	572.838	5.565	50	0		KKAARP
C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)C[NH+]2CCCCC2)c1)Cc1cccc2cccnc21	ZINC000012159389	1071237541	/nfs/dbraw/zinc/23/75/41/1071237541.db2.gz	WOUUPFRMPVKLJF-GDLZYMKVSA-N	2	0	514.714	5.503	50	0		KKAARP
Cc1n(-c2ccccc2)nc(Cc2nn(-c3ccccc3)c(C)[n+]2-c2ccc(C)cc2)[n+]1-c1ccc(C)cc1	ZINC000003190896	552302059	/nfs/dbraw/zinc/30/20/59/552302059.db2.gz	OZEYRLDYUKHPTJ-UHFFFAOYSA-N	2	0	512.661	5.436	50	0		KKAARP
O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH+](C3CCCCC3)C3CCCCC3)cc2)cc1	ZINC000004783176	552481900	/nfs/dbraw/zinc/48/19/00/552481900.db2.gz	JQYJJPSTWWRURQ-UHFFFAOYSA-N	2	0	690.995	8.331	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCC)cc2)C[NH+](C)C)cc1	ZINC000008396636	552995539	/nfs/dbraw/zinc/99/55/39/552995539.db2.gz	BTCNXYNOSGRPDI-NSOVKSMOSA-N	2	0	524.746	6.246	50	0		KKAARP
CC[NH+](CC)CC(=O)Nc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(NC(=O)C[NH+](CC)CC)cc1C(c1ccccc1)=N2	ZINC000008445569	553054485	/nfs/dbraw/zinc/05/44/85/553054485.db2.gz	LAUZCPKQBUPOML-UHFFFAOYSA-N	2	0	614.794	6.899	50	0		KKAARP
COc1ccc(C(=O)[C@@H](C[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000008926062	553190948	/nfs/dbraw/zinc/19/09/48/553190948.db2.gz	BVUMFDFVOZVFKR-VMPREFPWSA-N	2	0	534.741	6.144	50	0		KKAARP
COc1ccc(C(=O)[C@H](C[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000008926063	553190964	/nfs/dbraw/zinc/19/09/64/553190964.db2.gz	BVUMFDFVOZVFKR-ISILISOKSA-N	2	0	534.741	6.144	50	0		KKAARP
COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCOc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)cc1)[N@H+](C)CC2	ZINC000070664881	553595227	/nfs/dbraw/zinc/59/52/27/553595227.db2.gz	KSGGQJQFYBWKMO-HJWAMQHWSA-N	2	0	638.805	6.680	50	0	biogenic	KKAARP
COc1cc2c(cc1O)CC[N@H+](C)[C@@H]2Cc1ccc(O)c(Oc2ccc(C[C@@H]3c4cc(OC)c(OC)cc4CC[NH+]3C)cc2)c1	ZINC000085492190	553682523	/nfs/dbraw/zinc/68/25/23/553682523.db2.gz	OMFKIOLXDGQKCF-FIRIVFDPSA-N	2	0	610.751	6.459	50	0	biogenic,in-vitro	KKAARP
CCOc1ccc(C(=O)[C@H](C[C@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095721561	553710105	/nfs/dbraw/zinc/71/01/05/553710105.db2.gz	CHGIQXRICGGUOO-FIRIVFDPSA-N	2	0	562.795	6.924	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095740283	553711645	/nfs/dbraw/zinc/71/16/45/553711645.db2.gz	IHVYMGWBFIEHEA-AQOUDTPCSA-N	2	0	604.876	8.094	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095740286	553711849	/nfs/dbraw/zinc/71/18/49/553711849.db2.gz	IHVYMGWBFIEHEA-KKLWWLSJSA-N	2	0	604.876	8.094	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000042850970	554296761	/nfs/dbraw/zinc/29/67/61/554296761.db2.gz	HGNHIFJNOKGSKI-VMPREFPWSA-N	2	0	608.735	6.859	50	0	endogenous,in-man	KKAARP
C[C@@H](CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)NC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)cc1	ZINC000102034440	554868821	/nfs/dbraw/zinc/86/88/21/554868821.db2.gz	VWYBOQZLIDFHCH-MHZLTWQESA-N	2	0	572.753	5.352	50	0		KKAARP
COc1ccc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)[N@H+](Cc3ccc4ccccc4c3)C2)cc1	ZINC000102123776	554884375	/nfs/dbraw/zinc/88/43/75/554884375.db2.gz	VMCAVGZEJDNWLP-HIDUATBNSA-N	2	0	595.853	6.553	50	0		KKAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000102406049	554920921	/nfs/dbraw/zinc/92/09/21/554920921.db2.gz	LTPNREFXLJNFGW-XAGDYJCDSA-N	2	0	538.736	5.006	50	0		KKAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000102432684	554927302	/nfs/dbraw/zinc/92/73/02/554927302.db2.gz	WRQBVIWRODFOBK-WIDNXDAUSA-N	2	0	553.669	5.976	50	0		KKAARP
O=C(CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	ZINC000150342586	571458780	/nfs/dbraw/zinc/45/87/80/571458780.db2.gz	VGHUWPLFLVESCA-UHFFFAOYSA-N	2	0	731.940	10.169	50	0		KKAARP
O[C@H](c1ccc(F)cc1)[C@H](CC[C@H](C[NH+]1CCCCCC1)[C@H](O)c1ccc(F)cc1)C[NH+]1CCCCCC1	ZINC000253487121	572290210	/nfs/dbraw/zinc/29/02/10/572290210.db2.gz	FKKFGAMQKPHSGF-QWWQXMGCSA-N	2	0	528.728	6.496	50	0		KKAARP
CN1c2ccccc2C(C)(C)C1=CC=C(C=CC1=[N+](C)c2ccccc2C1(C)C)C=Cc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1	ZINC000685944288	1070941140	/nfs/dbraw/zinc/94/11/40/1070941140.db2.gz	IOOWRZZOHNWGQJ-QAVVBOBSSA-N	2	0	640.871	10.476	50	0		KKAARP
COc1cc2c(cc1OC)C1(CCCC1)C[NH+](CCCCC[N@@H+]1Cc3cc(OC)c(OC)cc3C3(CCCC3)C1)C2	ZINC000001835168	551712130	/nfs/dbraw/zinc/71/21/30/551712130.db2.gz	YJKADYKKKPYTJV-UHFFFAOYSA-N	2	0	562.795	6.846	50	0	biogenic	KKAARP
C[C@@H]1CCCC[NH+]1CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)cc1	ZINC000005648403	552505921	/nfs/dbraw/zinc/50/59/21/552505921.db2.gz	KVSODEOZJBNRSP-MKPDMIMOSA-N	2	0	562.803	6.049	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OCCC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000006500697	552595988	/nfs/dbraw/zinc/59/59/88/552595988.db2.gz	WRVVCVZJWGWBSW-HNRBIFIRSA-N	2	0	552.800	7.119	50	0		KKAARP
OCC[NH+]1CCC(C[NH+](Cc2cc(Cl)cc3cccnc32)Cc2cc(Cl)cc3cccnc32)CC1	ZINC000069902483	553593503	/nfs/dbraw/zinc/59/35/03/553593503.db2.gz	GNHHMRRDCARSFU-UHFFFAOYSA-N	2	0	509.481	5.796	50	0		KKAARP
COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCOc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)cc1)[NH+](C)CC2	ZINC000070664884	553595164	/nfs/dbraw/zinc/59/51/64/553595164.db2.gz	KSGGQJQFYBWKMO-VSJLXWSYSA-N	2	0	638.805	6.680	50	0	biogenic	KKAARP
COc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740219	553711626	/nfs/dbraw/zinc/71/16/26/553711626.db2.gz	WZVXOSLRDCQYGW-LOYHVIPDSA-N	2	0	548.768	6.534	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740193	553711639	/nfs/dbraw/zinc/71/16/39/553711639.db2.gz	YQMUBMLHPKHBBP-AQOUDTPCSA-N	2	0	604.876	8.094	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785653	553713412	/nfs/dbraw/zinc/71/34/12/553713412.db2.gz	JCFZFJXVZYBZTM-KKLWWLSJSA-N	2	0	604.876	8.094	50	0		KKAARP
O[C@@H](COc1ccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000097944139	553768760	/nfs/dbraw/zinc/76/87/60/553768760.db2.gz	HOBJQNDPHXNUGP-MAZIBIHTSA-N	2	0	616.802	6.571	50	0		KKAARP
c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)[s+]c(-c5ccccc5)c4)cc3)cc(-c3ccccc3)[s+]2)cc1	ZINC000100698059	554451408	/nfs/dbraw/zinc/45/14/08/554451408.db2.gz	XIIBNURPSAPVEY-UHFFFAOYSA-N	2	0	572.798	12.374	50	0		KKAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@H](O)C[N@H+]3CCCC[C@@H]3C)c(Br)c2)cc1Br	ZINC000150466906	571508082	/nfs/dbraw/zinc/50/80/82/571508082.db2.gz	SQBNAQMQCILGQW-CEWHCAETSA-N	2	0	854.357	8.291	50	0		KKAARP
CCCC[NH+](CCCC)CCCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	ZINC000261492502	572111018	/nfs/dbraw/zinc/11/10/18/572111018.db2.gz	YMRDWPMAZXDYDF-UHFFFAOYSA-N	2	0	502.534	6.682	50	0		KKAARP
C[C@@H]1CCCC[NH+]1CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)cc1	ZINC000254823487	572303676	/nfs/dbraw/zinc/30/36/76/572303676.db2.gz	KVSODEOZJBNRSP-KAYWLYCHSA-N	2	0	562.803	6.049	50	0		KKAARP
CN1c2ccccc2C(C)(C)C1=CC=C(C=CC1=[N+](C)c2ccccc2C1(C)C)c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1	ZINC000685944205	1070939301	/nfs/dbraw/zinc/93/93/01/1070939301.db2.gz	AGABCDXWVWGOAX-NBHCHVEOSA-N	2	0	614.833	9.920	50	0		KKAARP
COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@H+]2C)cc1	ZINC000006017976	552520201	/nfs/dbraw/zinc/52/02/01/552520201.db2.gz	MIBATSHDJRIUJK-ROJLCIKYSA-N	2	0	624.778	6.762	50	0	endogenous,in-man	KKAARP
CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCCCC)cc2)C[NH+](CC)CC)cc1	ZINC000006480877	552593676	/nfs/dbraw/zinc/59/36/76/552593676.db2.gz	QUZFUSBGTMHCMG-ACHIHNKUSA-N	2	0	580.854	7.806	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCCCC)cc2)C[NH+](CC)CC)cc1	ZINC000006480898	552593739	/nfs/dbraw/zinc/59/37/39/552593739.db2.gz	QUZFUSBGTMHCMG-MEKGRNQZSA-N	2	0	580.854	7.806	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OCCCC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000006480880	552593749	/nfs/dbraw/zinc/59/37/49/552593749.db2.gz	QSEPURCOSLFTNS-KYJUHHDHSA-N	2	0	580.854	7.899	50	0		KKAARP
COc1ccc(C(=O)[C@H](C[C@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000009067751	553206423	/nfs/dbraw/zinc/20/64/23/553206423.db2.gz	BVUMFDFVOZVFKR-FQLXRVMXSA-N	2	0	534.741	6.144	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH2+]CC)C(=O)c2ccc(OCCCC)cc2)C[NH2+]CC)cc1	ZINC000009333838	553242822	/nfs/dbraw/zinc/24/28/22/553242822.db2.gz	YOSAHEPLJJBHJM-VSGBNLITSA-N	2	0	524.746	6.342	50	0		KKAARP
O=C1CCCc2c1c1cc(C[NH+]3CCCCC3)ccc1n2CC[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000009761154	553302885	/nfs/dbraw/zinc/30/28/85/553302885.db2.gz	HORALVKPCRKEEY-UHFFFAOYSA-N	2	0	505.706	6.849	50	0		KKAARP
CC[NH+](CC)CC(=O)Nc1c(C)cc(C2(c3cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c3)CCCCC2)cc1C	ZINC000016676053	553571675	/nfs/dbraw/zinc/57/16/75/553571675.db2.gz	YFTNOKVNNXCIIE-UHFFFAOYSA-N	2	0	548.816	6.731	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785616	553713222	/nfs/dbraw/zinc/71/32/22/553713222.db2.gz	QTPUABBGOFNODG-ACHIHNKUSA-N	2	0	576.822	7.314	50	0		KKAARP
Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1	ZINC000034725984	553997042	/nfs/dbraw/zinc/99/70/42/553997042.db2.gz	HGJCQDMMHFDFLS-UHFFFAOYSA-N	2	0	514.636	5.489	50	0		KKAARP
O[C@H](c1ccc(F)cc1)[C@H](CC[C@@H](C[NH+]1CCCCCC1)[C@H](O)c1ccc(F)cc1)C[NH+]1CCCCCC1	ZINC000036507484	554224927	/nfs/dbraw/zinc/22/49/27/554224927.db2.gz	FKKFGAMQKPHSGF-SEISLXRGSA-N	2	0	528.728	6.496	50	0		KKAARP
O[C@@H](COc1ccc(OC[C@@H](O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000049763202	554325451	/nfs/dbraw/zinc/32/54/51/554325451.db2.gz	GXJZUJYXQQSZAJ-AQOUDTPCSA-N	2	0	722.930	5.941	50	0		KKAARP
O=C([C@@H]1C[C@H](Sc2ccccn2)CN1Cc1cccc(Cl)c1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000102447907	554930796	/nfs/dbraw/zinc/93/07/96/554930796.db2.gz	LMIASSKUWJOEOH-XICOSQGGSA-N	2	0	551.200	5.439	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCC)cc2)C[NH+](CC)CC)cc1	ZINC000102611749	554981750	/nfs/dbraw/zinc/98/17/50/554981750.db2.gz	XUCDVCKVFDNGRJ-RNPORBBMSA-N	2	0	552.800	7.026	50	0		KKAARP
CC[NH+](CC)C[C@H](O)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@@H](O)C[NH+](CC)CC)c(Br)c2)cc1Br	ZINC000150500178	571518460	/nfs/dbraw/zinc/51/84/60/571518460.db2.gz	RKOFWDKKXNCXBS-ROUUACIJSA-N	2	0	824.265	5.732	50	0		KKAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000200528885	1071290704	/nfs/dbraw/zinc/29/07/04/1071290704.db2.gz	KKSWGFCCZGCKHG-OODHRNECSA-N	2	0	525.737	5.446	50	0		KKAARP
Cc1ccc(-[n+]2c(Cc3nn(-c4ccccc4)c(-c4ccccc4)[n+]3-c3ccc(C)cc3)nn(-c3ccccc3)c2-c2ccccc2)cc1	ZINC000004551913	552465964	/nfs/dbraw/zinc/46/59/64/552465964.db2.gz	YJJIMZAUEQESPX-UHFFFAOYSA-N	2	0	636.803	8.153	50	0		KKAARP
C[n+]1c(Cc2nn3c(nc(-c4ccccc4)cc3-c3ccccc3)[n+]2C)nn2c1nc(-c1ccccc1)cc2-c1ccccc1	ZINC000004552115	552466690	/nfs/dbraw/zinc/46/66/90/552466690.db2.gz	RZCBCRDPPPSKDQ-UHFFFAOYSA-N	2	0	586.703	5.680	50	0		KKAARP
CC[NH+](CC)C[C@@H](CCCC[C@@H](C[NH+](CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	ZINC000006511901	552597518	/nfs/dbraw/zinc/59/75/18/552597518.db2.gz	ZOUPXVVZRXSCPM-HNRBIFIRSA-N	2	0	524.746	6.246	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCC[C@H](C[NH+](C)C)C(=O)c2ccc(OCCC)cc2)C[NH+](C)C)cc1	ZINC000008732607	553130364	/nfs/dbraw/zinc/13/03/64/553130364.db2.gz	OAFRDWCVIBXSEZ-KAYWLYCHSA-N	2	0	510.719	5.856	50	0		KKAARP
COc1ccc(C(=O)[C@H](CC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000009046806	553204272	/nfs/dbraw/zinc/20/42/72/553204272.db2.gz	WUCCTPWXHXLLMT-VSGBNLITSA-N	2	0	520.714	5.754	50	0		KKAARP
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000015942345	553543722	/nfs/dbraw/zinc/54/37/22/553543722.db2.gz	BRRYJQGYLFSCJN-UHFFFAOYSA-N	2	0	507.078	5.296	50	0		KKAARP
c1ccc(C[NH2+]CCCCCC[NH2+]Cc2cccc(C[NH2+]CCCCCC[NH2+]Cc3ccccc3)c2)cc1	ZINC000071260646	553634784	/nfs/dbraw/zinc/63/47/84/553634784.db2.gz	AZIRSQWIUWDRGW-UHFFFAOYSA-N	4	0	514.802	6.566	50	0		KKAARP
COc1ccc(C(=O)[C@H](C[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000020036358	553667721	/nfs/dbraw/zinc/66/77/21/553667721.db2.gz	UIAMBVTUVXCGFO-KAYWLYCHSA-N	2	0	506.687	5.364	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](C[C@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095721540	553710149	/nfs/dbraw/zinc/71/01/49/553710149.db2.gz	FKQODEXMCHSCOS-CZNDPXEESA-N	2	0	590.849	7.704	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785630	553713275	/nfs/dbraw/zinc/71/32/75/553713275.db2.gz	YVTKTAFHZHUQOU-RNPORBBMSA-N	2	0	548.768	6.534	50	0		KKAARP
CN1c2ccccc2C(C)(C)C1=CC=C(c1n[n+]2c(nc(-c3ccccc3)cc2-c2ccccc2)n1C)c1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)[n+]1C	ZINC000097976765	553972560	/nfs/dbraw/zinc/97/25/60/553972560.db2.gz	GBJIBINONLFFCZ-GGZAYICLSA-N	2	0	769.957	8.832	50	0		KKAARP
Cc1c2[nH]c(c1C)[C@H]1CCC[C@@H](C1)C1=[NH+]/C(=C\c3[nH]c(c(C)c3C)[C@H]3CCC[C@@H](C3)C3=[NH+]/C(=C\2)C(C)=C3C)C(C)=C1C	ZINC000100661010	554438565	/nfs/dbraw/zinc/43/85/65/554438565.db2.gz	JUZXKQVXKIHAQB-RCWQAEMTSA-N	2	0	560.830	10.102	50	0		KKAARP
O[C@H](COc1ccc(C2(c3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3)c3ccccc3-c3ccccc32)cc1)C[NH+]1CCCCC1	ZINC000102413228	554924099	/nfs/dbraw/zinc/92/40/99/554924099.db2.gz	UKHGGWAKHYGULF-HEVIKAOCSA-N	2	0	632.845	6.501	50	0		KKAARP
CN(C)c1ccc(C2=[NH+]N(c3ccc(-c4cc(-c5ccccc5)[s+]c(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1	ZINC000102934877	555161965	/nfs/dbraw/zinc/16/19/65/555161965.db2.gz	GKDNSMSSGLFHFF-KXQOOQHDSA-N	2	0	588.800	10.452	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCCC)cc2)C[NH+](CC)CC)cc1	ZINC000106774885	571418189	/nfs/dbraw/zinc/41/81/89/571418189.db2.gz	DVTJRQQHSBYSKM-MEKGRNQZSA-N	2	0	580.854	7.806	50	0		KKAARP
COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1	ZINC000299800903	572138257	/nfs/dbraw/zinc/13/82/57/572138257.db2.gz	WDKKIPBRQIMLKL-QCENPCRXSA-N	2	0	553.751	5.011	50	0		KKAARP
O=c1n(C[C@H](O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c2ccccc2n1C[C@@H](O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000150519240	1069822198	/nfs/dbraw/zinc/82/21/98/1069822198.db2.gz	RVIXWRRXGWSMFX-AQOUDTPCSA-N	2	0	746.956	5.300	50	0		KKAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000199305079	1071135717	/nfs/dbraw/zinc/13/57/17/1071135717.db2.gz	VDVXWSMCRKUYMN-YKTXNGGMSA-N	2	0	525.737	5.446	50	0		KKAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000200528915	1071290603	/nfs/dbraw/zinc/29/06/03/1071290603.db2.gz	KKSWGFCCZGCKHG-YKTXNGGMSA-N	2	0	525.737	5.446	50	0		KKAARP
CC(C)(C)[PH+]1Cc2ccc3ccccc3c2-c2c3ccccc3ccc2[C@H]1[C@@H]1c2ccc3ccccc3c2-c2c(ccc3ccccc32)C[P@H+]1C(C)(C)C	ZINC000150351365	1071326525	/nfs/dbraw/zinc/32/65/25/1071326525.db2.gz	YXMFQIWDFKIXGQ-KUSQLHRJSA-N	2	0	734.904	16.004	50	0		KKAARP
C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C)cc1	ZINC000001920103	551734591	/nfs/dbraw/zinc/73/45/91/551734591.db2.gz	AWRLXMRAUVNSII-UHFFFAOYSA-N	2	0	566.748	9.338	50	0		KKAARP
CCCCCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+](C)C)C(=O)c2ccc(OCCCCC)cc2)C[NH+](C)C)cc1	ZINC000006472252	552591998	/nfs/dbraw/zinc/59/19/98/552591998.db2.gz	DCCVKJJGCWASFE-ROJLCIKYSA-N	2	0	580.854	7.806	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+](C)C)C(=O)c2ccc(OCCCC)cc2)C[NH+](C)C)cc1	ZINC000006480894	552593742	/nfs/dbraw/zinc/59/37/42/552593742.db2.gz	CETPKDROUAYFOD-LOYHVIPDSA-N	2	0	552.800	7.026	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCC)cc2)C[NH+](C)C)cc1	ZINC000008732606	553130337	/nfs/dbraw/zinc/13/03/37/553130337.db2.gz	OAFRDWCVIBXSEZ-MKPDMIMOSA-N	2	0	510.719	5.856	50	0		KKAARP
Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NCCC[NH+](CC(C)C)CC(C)C)C1	ZINC000020240878	553626755	/nfs/dbraw/zinc/62/67/55/553626755.db2.gz	RNEXYRUGYRDLQI-DEOSSOPVSA-N	2	0	503.131	5.636	50	0		KKAARP
COc1ccc(C(=O)[C@@H](C[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000020036348	553667586	/nfs/dbraw/zinc/66/75/86/553667586.db2.gz	UIAMBVTUVXCGFO-SVBPBHIXSA-N	2	0	506.687	5.364	50	0		KKAARP
COc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095740255	553711632	/nfs/dbraw/zinc/71/16/32/553711632.db2.gz	VMJHGPBTRARTCZ-ROJLCIKYSA-N	2	0	576.822	7.314	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785645	553713148	/nfs/dbraw/zinc/71/31/48/553713148.db2.gz	JCFZFJXVZYBZTM-HEVIKAOCSA-N	2	0	604.876	8.094	50	0		KKAARP
COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1	ZINC000096022011	553718843	/nfs/dbraw/zinc/71/88/43/553718843.db2.gz	QMAKTLNOQPDBKH-UHFFFAOYSA-N	2	0	626.805	7.459	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@@H+](C)[C@@H]5C2)OCO4)CC[NH+]1C	ZINC000030726863	553855519	/nfs/dbraw/zinc/85/55/19/553855519.db2.gz	YVPXVXANRNDGTA-WDYNHAJCSA-N	2	0	606.719	6.874	50	0	aggregator,biogenic,world	KKAARP
C[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)C[N@@H+]3Cc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1	ZINC000100890045	554511574	/nfs/dbraw/zinc/51/15/74/554511574.db2.gz	IVMOSHFMAARMIX-FJQKOURKSA-N	2	0	584.805	5.371	50	0		KKAARP
O=C(CCC(=O)OCC[NH+](Cc1ccccc1)Cc1ccccc1)OCC[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000101557027	554797200	/nfs/dbraw/zinc/79/72/00/554797200.db2.gz	FZBLUFQBINUYOO-UHFFFAOYSA-N	2	0	564.726	6.258	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCCC)cc2)C[NH+](C)C)cc1	ZINC000103131871	555301298	/nfs/dbraw/zinc/30/12/98/555301298.db2.gz	CETPKDROUAYFOD-RNPORBBMSA-N	2	0	552.800	7.026	50	0		KKAARP
CC(C)(c1cc(Br)c(OC[C@H](O)C[NH+]2CCCCCC2)c(Br)c1)c1cc(Br)c(OC[C@@H](O)C[NH+]2CCCCCC2)c(Br)c1	ZINC000150362794	571464121	/nfs/dbraw/zinc/46/41/21/571464121.db2.gz	AFUAUZQLJVZUDG-WMPKNSHKSA-N	2	0	854.357	8.294	50	0		KKAARP
CC[n+]1c(/C=C/C(=CC=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)/C=C/c2ccc3ccccc3[n+]2CC)ccc2ccccc21	ZINC000685944656	1070945102	/nfs/dbraw/zinc/94/51/02/1070945102.db2.gz	ZDVZTOPOVOZATE-XDHTVYJESA-N	2	0	636.839	10.300	50	0		KKAARP
CC[n+]1c(C=C2C=C3C=C([NH+]4CCSCCOCCSCC4)CC[C@@H]3CC2)sc2ccccc21	ZINC000685944402	1070942961	/nfs/dbraw/zinc/94/29/61/1070942961.db2.gz	HWOGNUMLZHPEID-QHCPKHFHSA-N	2	0	513.818	6.467	50	0		KKAARP
C[NH2+]C[C@H](O)COc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	ZINC000004013235	552425979	/nfs/dbraw/zinc/42/59/79/552425979.db2.gz	JJEMEBCWRWEMQO-LJAQVGFWSA-N	2	0	505.662	5.251	50	0		KKAARP
CCCCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCCCC)cc2)C[NH+](C)C)cc1	ZINC000006472227	552592039	/nfs/dbraw/zinc/59/20/39/552592039.db2.gz	DCCVKJJGCWASFE-ACHIHNKUSA-N	2	0	580.854	7.806	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OCCC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000006500710	552596015	/nfs/dbraw/zinc/59/60/15/552596015.db2.gz	WRVVCVZJWGWBSW-VSGBNLITSA-N	2	0	552.800	7.119	50	0		KKAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000014733020	553519450	/nfs/dbraw/zinc/51/94/50/553519450.db2.gz	PFPGYUYIMNCGQA-JYFHCDHNSA-N	2	0	527.631	5.444	50	0		KKAARP
O[C@@H](c1ccc(F)cc1)[C@@H](CC[C@H](C[NH+]1CCCCCC1)[C@H](O)c1ccc(F)cc1)C[NH+]1CCCCCC1	ZINC000017249219	553591826	/nfs/dbraw/zinc/59/18/26/553591826.db2.gz	FKKFGAMQKPHSGF-WVKQWSHJSA-N	2	0	528.728	6.496	50	0		KKAARP
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000020240752	553626685	/nfs/dbraw/zinc/62/66/85/553626685.db2.gz	UPUFCVFUIYEDMC-UHFFFAOYSA-N	2	0	509.094	5.542	50	0		KKAARP
COc1ccc(C(=O)[C@H](C[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000020036352	553667760	/nfs/dbraw/zinc/66/77/60/553667760.db2.gz	UIAMBVTUVXCGFO-MKPDMIMOSA-N	2	0	506.687	5.364	50	0		KKAARP
COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1)[NH+](C)CC2	ZINC000085492224	553682498	/nfs/dbraw/zinc/68/24/98/553682498.db2.gz	BURJAQFYNVMZDV-FIRIVFDPSA-N	2	0	610.751	6.459	50	0	biogenic,in-vitro	KKAARP
CCCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740195	553711608	/nfs/dbraw/zinc/71/16/08/553711608.db2.gz	YQMUBMLHPKHBBP-KKLWWLSJSA-N	2	0	604.876	8.094	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740191	553711619	/nfs/dbraw/zinc/71/16/19/553711619.db2.gz	YQMUBMLHPKHBBP-HEVIKAOCSA-N	2	0	604.876	8.094	50	0		KKAARP
COc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000026895325	553821861	/nfs/dbraw/zinc/82/18/61/553821861.db2.gz	ONMAVJHZSSODNQ-UIOOFZCWSA-N	2	0	524.746	6.338	50	0		KKAARP
CC[NH+]1CCN(c2c(C[N@@H+](Cc3ccccc3C(F)(F)F)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034835959	554020334	/nfs/dbraw/zinc/02/03/34/554020334.db2.gz	QQSKNLRYSAMJAJ-UHFFFAOYSA-N	2	0	531.642	6.139	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000058502112	554364508	/nfs/dbraw/zinc/36/45/08/554364508.db2.gz	DFOCUWZXJBAUSQ-VMPREFPWSA-N	2	0	608.735	6.859	50	0	biogenic,in-vitro	KKAARP
CCN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)C[N@@H+]3Cc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1	ZINC000102650649	554995572	/nfs/dbraw/zinc/99/55/72/554995572.db2.gz	DKONEUIRAMCRIR-DITALETJSA-N	2	0	581.830	5.017	50	0		KKAARP
CC[NH+](CC)C[C@@H](O)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@H](O)C[NH+](CC)CC)c(Br)c2)cc1Br	ZINC000150500174	571518579	/nfs/dbraw/zinc/51/85/79/571518579.db2.gz	RKOFWDKKXNCXBS-QZTJIDSGSA-N	2	0	824.265	5.732	50	0		KKAARP
CN(C(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC[NH+](C)CC1	ZINC000299762083	572134773	/nfs/dbraw/zinc/13/47/73/572134773.db2.gz	KSMPYKKRQZRCEZ-JTSJOTPCSA-N	2	0	585.759	5.051	50	0		KKAARP
c1ccc(CC[N@H+]2[C@@H](c3ccccc3)[C@H](c3ccccc3)[C@@H]([NH2+]Cc3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000245380791	572240506	/nfs/dbraw/zinc/24/05/06/572240506.db2.gz	MTFXVXUBNOYWNP-DYLMPHRMSA-N	2	0	522.736	8.360	50	0		KKAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)C[N@H+]3CCCC[C@@H]3C)c(Br)c2)cc1Br	ZINC000252197602	572259901	/nfs/dbraw/zinc/25/99/01/572259901.db2.gz	SQBNAQMQCILGQW-DDOAZUFRSA-N	2	0	854.357	8.291	50	0		KKAARP
O[C@@H](c1ccc(F)cc1)[C@H](CC[C@H](C[NH+]1CCCCCC1)[C@H](O)c1ccc(F)cc1)C[NH+]1CCCCCC1	ZINC000253487120	572290203	/nfs/dbraw/zinc/29/02/03/572290203.db2.gz	FKKFGAMQKPHSGF-HIIQBPBGSA-N	2	0	528.728	6.496	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+](CC)CC)C(=O)c2ccc(OCCCC)cc2)C[NH+](CC)CC)cc1	ZINC000006480904	552593703	/nfs/dbraw/zinc/59/37/03/552593703.db2.gz	QUZFUSBGTMHCMG-ROJLCIKYSA-N	2	0	580.854	7.806	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OCCCC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000006480907	552593716	/nfs/dbraw/zinc/59/37/16/552593716.db2.gz	QSEPURCOSLFTNS-LOYHVIPDSA-N	2	0	580.854	7.899	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCC)cc2)C[NH+](C)C)cc1	ZINC000008396639	552995513	/nfs/dbraw/zinc/99/55/13/552995513.db2.gz	BTCNXYNOSGRPDI-HNRBIFIRSA-N	2	0	524.746	6.246	50	0		KKAARP
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000008597500	553093268	/nfs/dbraw/zinc/09/32/68/553093268.db2.gz	YJALSEIZUVMCKW-UHFFFAOYSA-N	2	0	570.565	5.497	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH2+]CC)C(=O)c2ccc(OCCCC)cc2)C[NH2+]CC)cc1	ZINC000013551108	553470454	/nfs/dbraw/zinc/47/04/54/553470454.db2.gz	YOSAHEPLJJBHJM-NSOVKSMOSA-N	2	0	524.746	6.342	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](C[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095721534	553710145	/nfs/dbraw/zinc/71/01/45/553710145.db2.gz	FKQODEXMCHSCOS-LQJZCPKCSA-N	2	0	590.849	7.704	50	0		KKAARP
C[NH+]1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1(C)C	ZINC000021993060	553722682	/nfs/dbraw/zinc/72/26/82/553722682.db2.gz	RSOILICUEWXSLA-UHFFFAOYSA-N	2	0	508.788	6.496	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000030726949	553855619	/nfs/dbraw/zinc/85/56/19/553855619.db2.gz	DFOCUWZXJBAUSQ-FQLXRVMXSA-N	2	0	608.735	6.859	50	0	in-vitro	KKAARP
CC[NH+](CC)C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)C[NH+](CC)CC)c(Br)c2)cc1Br	ZINC000097961200	553876023	/nfs/dbraw/zinc/87/60/23/553876023.db2.gz	KQLGSYMXSSHNSQ-VXKWHMMOSA-N	2	0	802.281	7.226	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N@H+](C)CC3	ZINC000033357222	553947406	/nfs/dbraw/zinc/94/74/06/553947406.db2.gz	JFOOZQIJNIJCOW-VMPREFPWSA-N	2	0	638.761	6.829	50	0	biogenic	KKAARP
COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(C1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000058638344	554365000	/nfs/dbraw/zinc/36/50/00/554365000.db2.gz	QOECJCJVIMVJGX-UHFFFAOYSA-N	2	0	509.739	5.836	50	0	in-vitro	KKAARP
c1ccc(C([NH2+]CCOCCOCC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	ZINC000100729252	554459015	/nfs/dbraw/zinc/45/90/15/554459015.db2.gz	IJRHQBAXGORRJF-UHFFFAOYSA-N	2	0	632.848	8.183	50	0		KKAARP
COc1cc2c(cc1OC)[C@H](Cc1ccc(OCOc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)cc1)[NH+](C)CC2	ZINC000106588079	571413028	/nfs/dbraw/zinc/41/30/28/571413028.db2.gz	KSGGQJQFYBWKMO-PXLJZGITSA-N	2	0	638.805	6.680	50	0	biogenic	KKAARP
COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N2CCCCC2)CC1	ZINC000299800637	572138062	/nfs/dbraw/zinc/13/80/62/572138062.db2.gz	HYLPBUJSXCPJON-XTEPFMGCSA-N	2	0	539.164	5.154	50	0		KKAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@H](O)C[N@H+]3CCCC[C@H]3C)c(Br)c2)cc1Br	ZINC000252197604	572259884	/nfs/dbraw/zinc/25/98/84/572259884.db2.gz	SQBNAQMQCILGQW-QMWXCIFZSA-N	2	0	854.357	8.291	50	0		KKAARP
O=C(OCCC[NH+]1CCCCC1)C1C(c2ccccc2)C(C(=O)OCCC[NH+]2CCCCC2)C1c1ccccc1	ZINC000100035654	1069729602	/nfs/dbraw/zinc/72/96/02/1069729602.db2.gz	SCRSATOQCAOVEK-UHFFFAOYSA-N	2	0	546.752	5.638	50	0		KKAARP
c1ccc(C([NH2+]CCCC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1	ZINC000004566692	552467911	/nfs/dbraw/zinc/46/79/11/552467911.db2.gz	JAYZQFSDWNPBMH-UHFFFAOYSA-N	2	0	572.796	8.930	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCC)cc2)C[NH+](C)C)cc1	ZINC000008732603	553130375	/nfs/dbraw/zinc/13/03/75/553130375.db2.gz	OAFRDWCVIBXSEZ-SVBPBHIXSA-N	2	0	510.719	5.856	50	0		KKAARP
Cc1n(-c2ccccc2)c2ccccc2[n+]1CCC(=O)CC[n+]1c(C)n(-c2ccccc2)c2ccccc21	ZINC000008742252	553133249	/nfs/dbraw/zinc/13/32/49/553133249.db2.gz	OUZBBTDPPTYPOP-UHFFFAOYSA-N	2	0	500.646	5.816	50	0		KKAARP
COc1ccc(NC(=O)CC[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]2[NH+](C)C)cc1OC	ZINC000011998059	553349962	/nfs/dbraw/zinc/34/99/62/553349962.db2.gz	AHNXHGUWRXDMKP-LITSAYRRSA-N	2	0	515.698	5.507	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000070454179	553593977	/nfs/dbraw/zinc/59/39/77/553593977.db2.gz	HGNHIFJNOKGSKI-URLMMPGGSA-N	2	0	608.735	6.859	50	0	endogenous,in-man	KKAARP
CN(C(=O)c1ccc(Oc2c(F)c(F)c(Oc3ccc(C(=O)N(C)C4CC[NH+](C)CC4)cc3)c(F)c2F)cc1)C1CC[NH+](C)CC1	ZINC000097983479	554009787	/nfs/dbraw/zinc/00/97/87/554009787.db2.gz	GIJKFVSUXATLQT-UHFFFAOYSA-N	2	0	642.694	6.160	50	0		KKAARP
CCCCCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCCCC)cc2)C[NH+](C)C)cc1	ZINC000098000397	554050887	/nfs/dbraw/zinc/05/08/87/554050887.db2.gz	DCCVKJJGCWASFE-MEKGRNQZSA-N	2	0	580.854	7.806	50	0		KKAARP
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000049626586	554324178	/nfs/dbraw/zinc/32/41/78/554324178.db2.gz	WJUOPSPFQSXVSK-UHFFFAOYSA-N	3	0	726.966	5.870	50	0		KKAARP
CC(C)(c1cc(Br)c(OC[C@H](O)C[NH+]2CCCCC2)c(Br)c1)c1cc(Br)c(OC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1	ZINC000150356604	571463280	/nfs/dbraw/zinc/46/32/80/571463280.db2.gz	QHSOWUWEVOQBOV-PSWAGMNNSA-N	2	0	826.303	7.514	50	0		KKAARP
c1ccc(-c2cc(-c3ccccc3)[n+](CC[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1	ZINC000004577095	552468425	/nfs/dbraw/zinc/46/84/25/552468425.db2.gz	HPZCYSIYMKLALE-UHFFFAOYSA-N	2	0	642.846	10.964	50	0		KKAARP
C[C@H]1CCCC[NH+]1CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)cc1	ZINC000005648404	552505967	/nfs/dbraw/zinc/50/59/67/552505967.db2.gz	KVSODEOZJBNRSP-SVBPBHIXSA-N	2	0	562.803	6.049	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCCC)cc2)C[NH+](CC)CC)cc1	ZINC000006500684	552595952	/nfs/dbraw/zinc/59/59/52/552595952.db2.gz	DVTJRQQHSBYSKM-ACHIHNKUSA-N	2	0	580.854	7.806	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+](CC)CC)C(=O)c2ccc(OCCC)cc2)C[NH+](CC)CC)cc1	ZINC000006500701	552595976	/nfs/dbraw/zinc/59/59/76/552595976.db2.gz	DVTJRQQHSBYSKM-ROJLCIKYSA-N	2	0	580.854	7.806	50	0		KKAARP
COc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000009046803	553204257	/nfs/dbraw/zinc/20/42/57/553204257.db2.gz	WUCCTPWXHXLLMT-NSOVKSMOSA-N	2	0	520.714	5.754	50	0		KKAARP
CC(C)[NH+](CCNC(=O)CCCCCCCCC(=O)NCC[N@H+](Cc1ccccc1)C(C)C)Cc1ccccc1	ZINC000009312349	553240276	/nfs/dbraw/zinc/24/02/76/553240276.db2.gz	OEYFJYJBFQPVCC-UHFFFAOYSA-N	2	0	550.832	6.161	50	0		KKAARP
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4Cc3ccc(O)cc3)c1)[NH+](C)CC2	ZINC000070455321	553593803	/nfs/dbraw/zinc/59/38/03/553593803.db2.gz	XCUCMLUTCAKSOZ-FIRIVFDPSA-N	2	0	610.751	6.459	50	0	endogenous,in-man	KKAARP
CCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785622	553713186	/nfs/dbraw/zinc/71/31/86/553713186.db2.gz	QTPUABBGOFNODG-ROJLCIKYSA-N	2	0	576.822	7.314	50	0		KKAARP
CCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785627	553713270	/nfs/dbraw/zinc/71/32/70/553713270.db2.gz	YVTKTAFHZHUQOU-KYJUHHDHSA-N	2	0	548.768	6.534	50	0		KKAARP
COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC(F)(F)CC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000096285772	553737751	/nfs/dbraw/zinc/73/77/51/553737751.db2.gz	RNAMYOYQYRYFQY-UHFFFAOYSA-N	2	0	546.707	5.023	50	0	in-vitro	KKAARP
COc1ccc(C(=O)[C@H](CCCC[C@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000026895333	553822016	/nfs/dbraw/zinc/82/20/16/553822016.db2.gz	ONMAVJHZSSODNQ-CLJLJLNGSA-N	2	0	524.746	6.338	50	0		KKAARP
COc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000026895329	553822080	/nfs/dbraw/zinc/82/20/80/553822080.db2.gz	ONMAVJHZSSODNQ-WMPKNSHKSA-N	2	0	524.746	6.338	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000030726840	553855692	/nfs/dbraw/zinc/85/56/92/553855692.db2.gz	DFOCUWZXJBAUSQ-URLMMPGGSA-N	2	0	608.735	6.859	50	0	biogenic,in-vitro	KKAARP
O=C(c1ccc(C[NH+]2CCc3ccccc3C2)cc1)N1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1	ZINC000100181545	554241944	/nfs/dbraw/zinc/24/19/44/554241944.db2.gz	BOWAMZRCBVQGNT-UHFFFAOYSA-N	2	0	584.764	5.401	50	0		KKAARP
c1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(C[NH2+]CCCCCC[NH2+]Cc3ccccc3)cc2)cc1	ZINC000038664843	554275367	/nfs/dbraw/zinc/27/53/67/554275367.db2.gz	VAQMUYHBDHTZMU-UHFFFAOYSA-N	4	0	514.802	6.566	50	0		KKAARP
CCC[NH+](CCC)C[C@H](CCCC[C@@H](C[NH+](CCC)CCC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	ZINC000102410231	554923376	/nfs/dbraw/zinc/92/33/76/554923376.db2.gz	KYYHSOSBCCXAAE-ACHIHNKUSA-N	2	0	580.854	7.806	50	0		KKAARP
O[C@@H](COc1ccc(C2(c3ccc(OC[C@H](O)C[NH+]4CCCCC4)cc3)c3ccccc3-c3ccccc32)cc1)C[NH+]1CCCCC1	ZINC000102413219	554924015	/nfs/dbraw/zinc/92/40/15/554924015.db2.gz	UKHGGWAKHYGULF-KKLWWLSJSA-N	2	0	632.845	6.501	50	0		KKAARP
O[C@@H](COc1ccc(C2(c3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3)c3ccccc3-c3ccccc32)cc1)C[NH+]1CCCCC1	ZINC000102413223	554924060	/nfs/dbraw/zinc/92/40/60/554924060.db2.gz	UKHGGWAKHYGULF-AQOUDTPCSA-N	2	0	632.845	6.501	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000102604313	554978094	/nfs/dbraw/zinc/97/80/94/554978094.db2.gz	BIIAQGUARVZTSC-KKLWWLSJSA-N	2	0	604.876	8.094	50	0		KKAARP
Cc1n(-c2ccccc2)nc(Cc2nn(-c3ccccc3)c(C)[n+]2-c2cccc3ccccc32)[n+]1-c1cccc2ccccc21	ZINC000103551623	555444079	/nfs/dbraw/zinc/44/40/79/555444079.db2.gz	MYYKEXCKRUQHKY-UHFFFAOYSA-N	2	0	584.727	7.125	50	0		KKAARP
CC(C)(C)[PH+]1Cc2ccc3ccccc3c2-c2c3ccccc3ccc2[C@@H]1[C@H]1c2ccc3ccccc3c2-c2c(ccc3ccccc32)C[P@H+]1C(C)(C)C	ZINC000150352001	571462328	/nfs/dbraw/zinc/46/23/28/571462328.db2.gz	YXMFQIWDFKIXGQ-JBOWJRQASA-N	2	0	734.904	16.004	50	0		KKAARP
CC[NH+](CC)C[C@@H](O)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@@H](O)C[NH+](CC)CC)c(Br)c2)cc1Br	ZINC000150500170	571518533	/nfs/dbraw/zinc/51/85/33/571518533.db2.gz	RKOFWDKKXNCXBS-HDICACEKSA-N	2	0	824.265	5.732	50	0		KKAARP
c1n(Cc2ccccc2)c2ccccc2[n+]1-c1ccc2ccccc2c1-c1c2ccccc2ccc1-[n+]1cn(Cc2ccccc2)c2ccccc21	ZINC000390822409	572155854	/nfs/dbraw/zinc/15/58/54/572155854.db2.gz	ULJPPHWPPGBLKV-UHFFFAOYSA-N	2	0	668.844	10.219	50	0		KKAARP
Cn1c[n+](-c2ccc3ccccc3c2-c2c3ccccc3ccc2-[n+]2cn(C)c3ccccc32)c2ccccc21	ZINC000390822455	572155916	/nfs/dbraw/zinc/15/59/16/572155916.db2.gz	YVGVRCLJJJXPEY-UHFFFAOYSA-N	2	0	516.648	7.197	50	0		KKAARP
O=C(OCCC[NH+]1CCCCC1)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OCCC[NH+]2CCCCC2)[C@H]1c1ccccc1	ZINC000245328140	572234492	/nfs/dbraw/zinc/23/44/92/572234492.db2.gz	SCRSATOQCAOVEK-TVLXLKRTSA-N	2	0	546.752	5.638	50	0		KKAARP
CCn1c(C)[n+](CCOCC[n+]2c(C)n(CC)c3cc(Cl)c(Cl)cc32)c2cc(Cl)c(Cl)cc21	ZINC000001760170	551694178	/nfs/dbraw/zinc/69/41/78/551694178.db2.gz	FKAXXUTUQDVZHC-UHFFFAOYSA-N	2	0	530.327	6.158	50	0		KKAARP
CCn1c(C)[n+](CCOCCOCC[n+]2c(C)n(CC)c3cc(Cl)c(Cl)cc32)c2cc(Cl)c(Cl)cc21	ZINC000001883948	551724853	/nfs/dbraw/zinc/72/48/53/551724853.db2.gz	VAWRPKMAGPUKDL-UHFFFAOYSA-N	2	0	574.380	6.175	50	0		KKAARP
CC[NH+](CC)C[C@H](CCCC[C@@H](C[NH+](CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	ZINC000006511911	552597482	/nfs/dbraw/zinc/59/74/82/552597482.db2.gz	ZOUPXVVZRXSCPM-NSOVKSMOSA-N	2	0	524.746	6.246	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH2+]CC)C(=O)c2ccc(OCCCC)cc2)C[NH2+]CC)cc1	ZINC000009333836	553242859	/nfs/dbraw/zinc/24/28/59/553242859.db2.gz	YOSAHEPLJJBHJM-HNRBIFIRSA-N	2	0	524.746	6.342	50	0		KKAARP
CC[NH+](CC)CC(=O)Nc1c(C)cc(C(C)(C)c2cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c2)cc1C	ZINC000016676170	553571705	/nfs/dbraw/zinc/57/17/05/553571705.db2.gz	HVXULJIETUICAG-UHFFFAOYSA-N	2	0	508.751	5.807	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](C[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095721537	553710074	/nfs/dbraw/zinc/71/00/74/553710074.db2.gz	FKQODEXMCHSCOS-CZFRINIUSA-N	2	0	590.849	7.704	50	0		KKAARP
CCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740267	553711586	/nfs/dbraw/zinc/71/15/86/553711586.db2.gz	UYHDWGIIEJMIPY-ACHIHNKUSA-N	2	0	576.822	7.314	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3	ZINC000030726936	553855589	/nfs/dbraw/zinc/85/55/89/553855589.db2.gz	UUURWWVPMHAACP-KYJUHHDHSA-N	2	0	622.762	7.162	50	0	in-vitro	KKAARP
CC[NH+](CC)C[C@@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)C[NH+](CC)CC)c(Br)c2)cc1Br	ZINC000097961198	553875990	/nfs/dbraw/zinc/87/59/90/553875990.db2.gz	KQLGSYMXSSHNSQ-SZPZYZBQSA-N	2	0	802.281	7.226	50	0		KKAARP
O[C@H](COc1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000097997035	554039246	/nfs/dbraw/zinc/03/92/46/554039246.db2.gz	FICDOSLWBCUQQL-COCZKOEFSA-N	2	0	726.962	5.980	50	0		KKAARP
C[C@H](CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)NC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)cc1	ZINC000102034445	554868750	/nfs/dbraw/zinc/86/87/50/554868750.db2.gz	VWYBOQZLIDFHCH-HHHXNRCGSA-N	2	0	572.753	5.352	50	0		KKAARP
CCC[NH+](CCC)C[C@@H](CCCC[C@@H](C[NH+](CCC)CCC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	ZINC000102410227	554923373	/nfs/dbraw/zinc/92/33/73/554923373.db2.gz	KYYHSOSBCCXAAE-MEKGRNQZSA-N	2	0	580.854	7.806	50	0		KKAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000102432687	554927262	/nfs/dbraw/zinc/92/72/62/554927262.db2.gz	WRQBVIWRODFOBK-HWUUJZMBSA-N	2	0	553.669	5.976	50	0		KKAARP
CCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCC)cc2)C[NH+](CC)CC)cc1	ZINC000102611752	554981674	/nfs/dbraw/zinc/98/16/74/554981674.db2.gz	XUCDVCKVFDNGRJ-KYJUHHDHSA-N	2	0	552.800	7.026	50	0		KKAARP
COc1ccc(C[C@H]2c3cc(Oc4cc(C[C@H]5c6cc(OC)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@H+]2C)cc1	ZINC000070454233	562716322	/nfs/dbraw/zinc/71/63/22/562716322.db2.gz	MIBATSHDJRIUJK-ACHIHNKUSA-N	2	0	624.778	6.762	50	0	endogenous,in-man	KKAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)C[N@H+]3CCCC[C@H]3C)c(Br)c2)cc1Br	ZINC000252197603	572259920	/nfs/dbraw/zinc/25/99/20/572259920.db2.gz	SQBNAQMQCILGQW-PWGHIRGTSA-N	2	0	854.357	8.291	50	0		KKAARP
O=C(NCCCC[NH+]1CCCCC1)C1C(c2ccccc2)C(C(=O)NCCCC[NH+]2CCCCC2)C1c1ccccc1	ZINC000097966197	1069794399	/nfs/dbraw/zinc/79/43/99/1069794399.db2.gz	HLTBYAGXBNZEQI-UHFFFAOYSA-N	2	0	572.838	5.565	50	0		KKAARP
COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCCCCCC2)CC1	ZINC000102128637	1069843659	/nfs/dbraw/zinc/84/36/59/1069843659.db2.gz	JRIBTVDKDBJPQE-XZWHSSHBSA-N	2	0	532.773	5.281	50	0		KKAARP
CCn1c2cccc3cccc(c1=CC=C(/C=C/C1=[N+](C)c4ccccc4C1(C)C)/C=C/C1=[N+](C)c4ccccc4C1(C)C)c23	ZINC000685944539	1070942561	/nfs/dbraw/zinc/94/25/61/1070942561.db2.gz	VUZZHJYWEPSZJJ-UHFFFAOYSA-N	2	0	589.827	8.765	50	0		KKAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000014745148	1072892333	/nfs/dbraw/zinc/89/23/33/1072892333.db2.gz	MYWFHUYVRQMXAM-HWUUJZMBSA-N	2	0	503.662	5.097	50	0		KKAARP
C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@H]4O)CC[C@@H]12	ZINC001501058422	1072922368	/nfs/dbraw/zinc/92/23/68/1072922368.db2.gz	DYEOLAMWQVWASS-QMARKCQSSA-N	2	0	526.743	5.943	50	0		KKAARP
COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2	ZINC000004098030	552436432	/nfs/dbraw/zinc/43/64/32/552436432.db2.gz	NGZXDRGWBULKFA-VSGBNLITSA-N	2	0	594.708	6.556	50	0	biogenic,in-vitro	KKAARP
c1ccc(-c2cc(-c3ccccc3)[n+](CCCC[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1	ZINC000004577096	552468401	/nfs/dbraw/zinc/46/84/01/552468401.db2.gz	SCYNNJJRCUQXDO-UHFFFAOYSA-N	2	0	670.900	11.744	50	0		KKAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4CCC(Cc5ccccc5)CC4)ccc3n2)CC1	ZINC000004791484	552484706	/nfs/dbraw/zinc/48/47/06/552484706.db2.gz	JXARWEMMHOLSGS-UHFFFAOYSA-N	2	0	544.813	5.316	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCCC)cc2)C[NH+](C)C)cc1	ZINC000006480882	552593668	/nfs/dbraw/zinc/59/36/68/552593668.db2.gz	FPDLWBOUWZTYBH-HNRBIFIRSA-N	2	0	524.746	6.246	50	0		KKAARP
CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCCCC)cc2)C[NH+](C)C)cc1	ZINC000006480875	552593731	/nfs/dbraw/zinc/59/37/31/552593731.db2.gz	FPDLWBOUWZTYBH-NSOVKSMOSA-N	2	0	524.746	6.246	50	0		KKAARP
CCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OCCC)cc2)C[NH2+]C(C)(C)C)cc1	ZINC000006500691	552596001	/nfs/dbraw/zinc/59/60/01/552596001.db2.gz	WRVVCVZJWGWBSW-NSOVKSMOSA-N	2	0	552.800	7.119	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+](CC)CC)C(=O)c2ccc(OCC)cc2)C[NH+](CC)CC)cc1	ZINC000006511909	552597493	/nfs/dbraw/zinc/59/74/93/552597493.db2.gz	ASTADIVAIXQGGP-VSGBNLITSA-N	2	0	524.746	6.246	50	0		KKAARP
CCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+](CC)CC)C(=O)c2ccc(OCC)cc2)C[NH+](CC)CC)cc1	ZINC000006511914	552597505	/nfs/dbraw/zinc/59/75/05/552597505.db2.gz	ASTADIVAIXQGGP-NSOVKSMOSA-N	2	0	524.746	6.246	50	0		KKAARP
CC[NH+](CC)C[C@@H](CCCC[C@H](C[NH+](CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	ZINC000006511903	552597515	/nfs/dbraw/zinc/59/75/15/552597515.db2.gz	ZOUPXVVZRXSCPM-VSGBNLITSA-N	2	0	524.746	6.246	50	0		KKAARP
C[NH+](C)C[C@@H](CC[C@H](C[NH+](C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1	ZINC000008925979	553190993	/nfs/dbraw/zinc/19/09/93/553190993.db2.gz	KFEZGJFTVICLIJ-KKLWWLSJSA-N	2	0	536.760	5.994	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3	ZINC000070664863	553595202	/nfs/dbraw/zinc/59/52/02/553595202.db2.gz	UUURWWVPMHAACP-XZWHSSHBSA-N	2	0	622.762	7.162	50	0	biogenic,in-vitro	KKAARP
CCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740272	553711623	/nfs/dbraw/zinc/71/16/23/553711623.db2.gz	UYHDWGIIEJMIPY-ROJLCIKYSA-N	2	0	576.822	7.314	50	0		KKAARP
c1ccc(CN2CC[NH+](Cc3ccccc3)CCN(Cc3ccccc3)CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000022799842	553751075	/nfs/dbraw/zinc/75/10/75/553751075.db2.gz	VXOJKUWHCFFUCO-UHFFFAOYSA-N	2	0	532.776	6.009	50	0		KKAARP
CC[NH+](CC)C[C@@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@H](O)C[NH+](CC)CC)c(Br)c2)cc1Br	ZINC000097961199	553875962	/nfs/dbraw/zinc/87/59/62/553875962.db2.gz	KQLGSYMXSSHNSQ-FGZHOGPDSA-N	2	0	802.281	7.226	50	0		KKAARP
O[C@@H](COc1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000097997034	554039304	/nfs/dbraw/zinc/03/93/04/554039304.db2.gz	FICDOSLWBCUQQL-NCRNUEESSA-N	2	0	726.962	5.980	50	0		KKAARP
COc1ccc(C[C@@H]2c3cc(Oc4cc(C[C@H]5c6cc(OC)c(OC)cc6CC[NH+]5C)ccc4O)c(OC)cc3CC[N@H+]2C)cc1	ZINC000100822831	554481439	/nfs/dbraw/zinc/48/14/39/554481439.db2.gz	MIBATSHDJRIUJK-ZWXJPIIXSA-N	2	0	624.778	6.762	50	0	endogenous,in-man	KKAARP
CN(C)c1ccc(/C=C/C2=[N+](C)c3cc4c(cc3C2(C)C)C(C)(C)C(/C=C/c2ccc(N(C)C)s2)=[N+]4C)s1	ZINC000102584298	554973081	/nfs/dbraw/zinc/97/30/81/554973081.db2.gz	PKRDLOGIAKUELL-UHFFFAOYSA-N	2	0	544.834	7.380	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CC[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000102604310	554978223	/nfs/dbraw/zinc/97/82/23/554978223.db2.gz	BIIAQGUARVZTSC-AQOUDTPCSA-N	2	0	604.876	8.094	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+](CC)CC)C(=O)c2ccc(OCC)cc2)C[NH+](CC)CC)cc1	ZINC000102611756	554981777	/nfs/dbraw/zinc/98/17/77/554981777.db2.gz	XUCDVCKVFDNGRJ-LOYHVIPDSA-N	2	0	552.800	7.026	50	0		KKAARP
CC(=O)c1ccc(N2CCN(C(=O)CC[C@H]3C[N@@H+](CC(c4ccccc4)c4ccccc4)CC[C@H]3[NH+](C)C)CC2)cc1	ZINC000102628074	554988490	/nfs/dbraw/zinc/98/84/90/554988490.db2.gz	LGEVMOWBQZTFIL-HJIQQCSTSA-N	2	0	566.790	5.402	50	0		KKAARP
C[NH2+][C@@H]1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3[C@H]4[NH2+]C)c3ccc4c(c3)-c3ccccc3[C@H]4[NH2+]C)ccc21	ZINC000257358407	572322129	/nfs/dbraw/zinc/32/21/29/572322129.db2.gz	UCEYGWJNUYEBNN-VJOZVQJDSA-N	3	0	687.963	6.932	50	0		KKAARP
CC[n+]1c(C=C2C=C3C=C([NH+]4CCOCCOCCOCCOCC4)CC[C@@H]3CC2)sc2ccccc21	ZINC000685944691	1070945646	/nfs/dbraw/zinc/94/56/46/1070945646.db2.gz	SFVWBCYLDFUMHJ-VWLOTQADSA-N	2	0	525.735	5.050	50	0		KKAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000014745147	1072892176	/nfs/dbraw/zinc/89/21/76/1072892176.db2.gz	MYWFHUYVRQMXAM-WIDNXDAUSA-N	2	0	503.662	5.097	50	0		KKAARP
Brc1c(Br)c(C[n+]2ccccc2)c(Br)c(Br)c1C[n+]1ccccc1	ZINC000001896164	551728136	/nfs/dbraw/zinc/72/81/36/551728136.db2.gz	RMJMTGQTVYRSIF-UHFFFAOYSA-N	2	0	577.940	5.408	50	0		KKAARP
CCCOc1ccc(C(=O)[C@H](CCCC[C@H](C[NH+](C)C)C(=O)c2ccc(OCCC)cc2)C[NH+](C)C)cc1	ZINC000008396642	552995481	/nfs/dbraw/zinc/99/54/81/552995481.db2.gz	BTCNXYNOSGRPDI-VSGBNLITSA-N	2	0	524.746	6.246	50	0		KKAARP
Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NCCC[NH+](CC(C)C)CC(C)C)C1	ZINC000020240876	553626805	/nfs/dbraw/zinc/62/68/05/553626805.db2.gz	RNEXYRUGYRDLQI-XMMPIXPASA-N	2	0	503.131	5.636	50	0		KKAARP
CCOc1ccc(C(=O)[C@@H](C[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095721557	553710155	/nfs/dbraw/zinc/71/01/55/553710155.db2.gz	CHGIQXRICGGUOO-CONSDPRKSA-N	2	0	562.795	6.924	50	0		KKAARP
COc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095740247	553711635	/nfs/dbraw/zinc/71/16/35/553711635.db2.gz	VMJHGPBTRARTCZ-ACHIHNKUSA-N	2	0	576.822	7.314	50	0		KKAARP
COc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095740250	553711651	/nfs/dbraw/zinc/71/16/51/553711651.db2.gz	VMJHGPBTRARTCZ-MEKGRNQZSA-N	2	0	576.822	7.314	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CC[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095785633	553713257	/nfs/dbraw/zinc/71/32/57/553713257.db2.gz	YVTKTAFHZHUQOU-LOYHVIPDSA-N	2	0	548.768	6.534	50	0		KKAARP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3	ZINC000028116057	553837826	/nfs/dbraw/zinc/83/78/26/553837826.db2.gz	WVTKBKWTSCPRNU-KYJUHHDHSA-N	2	0	622.762	7.162	50	0	endogenous,in-man	KKAARP
CCC(=C(c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1	ZINC000028821483	553843679	/nfs/dbraw/zinc/84/36/79/553843679.db2.gz	XQQWCGJGUHJSLR-UHFFFAOYSA-N	2	0	510.722	7.005	50	0		KKAARP
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4	ZINC000030726947	553855421	/nfs/dbraw/zinc/85/54/21/553855421.db2.gz	HGNHIFJNOKGSKI-WDYNHAJCSA-N	2	0	608.735	6.859	50	0	endogenous,in-man	KKAARP
CSc1ccc(NC(=O)CC[C@H]2CN(Cc3ccccn3)CC[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000101889578	554846192	/nfs/dbraw/zinc/84/61/92/554846192.db2.gz	NCLFWVRMIBSWFW-QABMSTFYSA-N	2	0	597.751	6.254	50	0		KKAARP
CCC[NH+](CCC)C[C@@H](CCCC[C@H](C[NH+](CCC)CCC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	ZINC000102410232	554923421	/nfs/dbraw/zinc/92/34/21/554923421.db2.gz	KYYHSOSBCCXAAE-ROJLCIKYSA-N	2	0	580.854	7.806	50	0		KKAARP
CN(C)c1ccc(C2=[NH+]N(c3ccc(-c4cc(-c5ccccc5)[s+]c(-c5ccccc5)c4)cc3)[C@H](c3ccccc3)C2)cc1	ZINC000102934874	555161936	/nfs/dbraw/zinc/16/19/36/555161936.db2.gz	GKDNSMSSGLFHFF-LHEWISCISA-N	2	0	588.800	10.452	50	0		KKAARP
c1ccc(CC[N@@H+]2[C@H](c3ccccc3)C[C@H]([NH2+]Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000106586649	571413074	/nfs/dbraw/zinc/41/30/74/571413074.db2.gz	MTFXVXUBNOYWNP-CDBYGCFJSA-N	2	0	522.736	8.360	50	0		KKAARP
C[S+]=c1ssc2c1-c1cc(C)ccc1N(Cc1ccc(CN3c4ccc(C)cc4-c4c(ssc4=[S+]C)C3(C)C)cc1)C2(C)C	ZINC000150464588	571507606	/nfs/dbraw/zinc/50/76/06/571507606.db2.gz	UOGYWNFTXJNLHD-UHFFFAOYSA-N	2	0	691.116	12.400	50	0		KKAARP
CN1c2ccccc2C(C)(C)C1=CC=C(c1n[n+]2c(nc(-c3ccccc3)cc2-c2ccccc2)n1C)c1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)[n+]1C	ZINC000150500716	571518636	/nfs/dbraw/zinc/51/86/36/571518636.db2.gz	GBJIBINONLFFCZ-RKYKITMWSA-N	2	0	769.957	8.832	50	0		KKAARP
c1ccc(CC[N@@H+]2[C@H](c3ccccc3)C[C@H]([NH2+]Cc3ccccc3)[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000245380792	572240496	/nfs/dbraw/zinc/24/04/96/572240496.db2.gz	MTFXVXUBNOYWNP-IZBQCXFTSA-N	2	0	522.736	8.360	50	0		KKAARP
CC[n+]1c(C=C2C=C3C=C([NH+]4CCOCCOCCOCCOCC4)CC[C@H]3CC2)sc2ccccc21	ZINC000685944688	1070945633	/nfs/dbraw/zinc/94/56/33/1070945633.db2.gz	SFVWBCYLDFUMHJ-RUZDIDTESA-N	2	0	525.735	5.050	50	0		KKAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccc3ccccc3c2)C1	ZINC000199305058	1071135669	/nfs/dbraw/zinc/13/56/69/1071135669.db2.gz	VDVXWSMCRKUYMN-OODHRNECSA-N	2	0	525.737	5.446	50	0		KKAARP
C[C@@H]1CC[C@@H](c2ccoc2)[N@@H+]2[C@@H]1CC[C@@]1(CS[C@]3(C1)CC[C@H]1[C@H](C)CC[C@@H](c4ccoc4)[NH+]1[C@@H]3O)[C@@H]2O	ZINC001501058421	1072922423	/nfs/dbraw/zinc/92/24/23/1072922423.db2.gz	DYEOLAMWQVWASS-DFXIFZGQSA-N	2	0	526.743	5.943	50	0		KKAARP
C[NH2+]C[C@@H](O)COc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	ZINC000004013240	552425899	/nfs/dbraw/zinc/42/58/99/552425899.db2.gz	JJEMEBCWRWEMQO-GDLZYMKVSA-N	2	0	505.662	5.251	50	0		KKAARP
Clc1ccc([NH+]=C(NCCCNC(=[NH+]c2ccc(Cl)cc2)C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1	ZINC000008427157	553019571	/nfs/dbraw/zinc/01/95/71/553019571.db2.gz	DLRVIONCADASLN-UHFFFAOYSA-N	2	0	681.711	10.921	50	0		KKAARP
CCOc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+]2CCCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCCC2)cc1	ZINC000095740280	553711599	/nfs/dbraw/zinc/71/15/99/553711599.db2.gz	IHVYMGWBFIEHEA-HEVIKAOCSA-N	2	0	604.876	8.094	50	0		KKAARP
CCOc1ccc(C(=O)[C@H](CCCC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OCC)cc2)C[NH+]2CCCCC2)cc1	ZINC000095740269	553711637	/nfs/dbraw/zinc/71/16/37/553711637.db2.gz	UYHDWGIIEJMIPY-MEKGRNQZSA-N	2	0	576.822	7.314	50	0		KKAARP
COc1ccc(C(=O)[C@@H](CCCC[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	ZINC000044460018	554302165	/nfs/dbraw/zinc/30/21/65/554302165.db2.gz	WZVXOSLRDCQYGW-KYJUHHDHSA-N	2	0	548.768	6.534	50	0		KKAARP
O[C@@H](COc1ccc(OC[C@H](O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000049763204	554325353	/nfs/dbraw/zinc/32/53/53/554325353.db2.gz	GXJZUJYXQQSZAJ-KKLWWLSJSA-N	2	0	722.930	5.941	50	0		KKAARP
C[n+]1c(/C=C/c2ccccc2)cc(-c2cc(/C=C/c3ccccc3)[n+](C)c(/C=C/c3ccccc3)c2)cc1/C=C/c1ccccc1	ZINC000102314939	554911365	/nfs/dbraw/zinc/91/13/65/554911365.db2.gz	XPLAJAVRYRTEJQ-MYEKBQHHSA-N	2	0	594.802	9.684	50	0		KKAARP
C1CCN(P2(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=N2)C1	ZINC000135697181	571448779	/nfs/dbraw/zinc/44/87/79/571448779.db2.gz	QXTBLBAUYVMZCO-UHFFFAOYSA-N	2	0	555.633	6.413	50	0		KKAARP
c1ccc2c(c1)ccc1c2-c2c(ccc3ccccc32)CP(CC[NH2+]CCP2Cc3ccc4ccccc4c3-c3c(ccc4ccccc43)C2)C1	ZINC000150338737	571457101	/nfs/dbraw/zinc/45/71/01/571457101.db2.gz	VMLOJVKKOABMEO-UHFFFAOYSA-N	2	0	693.811	12.914	50	0		KKAARP
CC(C)(c1cc(Br)c(OC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1)c1cc(Br)c(OC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1	ZINC000150356608	571463266	/nfs/dbraw/zinc/46/32/66/571463266.db2.gz	QHSOWUWEVOQBOV-ZEQRLZLVSA-N	2	0	826.303	7.514	50	0		KKAARP