smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2	ZINC000012078168	558320400	/nfs/dbraw/zinc/32/04/00/558320400.db2.gz	FMVRLQGWCSAXHC-SFHVURJKSA-N	1	0	421.523	1.311	10	0		HDAERO
C[N@@H+]1CC[C@@H](CNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H]1c1cccnc1	ZINC000077273257	559000111	/nfs/dbraw/zinc/00/01/11/559000111.db2.gz	WTRHRWSKVHYWAT-GCLMUHHRSA-N	1	0	417.579	1.916	10	0	in-vitro	HDAERO
CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(F)c1	ZINC000096286820	568719229	/nfs/dbraw/zinc/71/92/29/568719229.db2.gz	NPISHEUOHKYYGU-UHFFFAOYSA-N	1	0	402.474	1.375	10	0		HDAERO
CCN(CC)C(=O)Cn1cc(C(=O)N2CCCN(Cc3cccc(F)c3)CC2)nn1	ZINC000012705213	568917347	/nfs/dbraw/zinc/91/73/47/568917347.db2.gz	KFEMXGLIZQRJCD-UHFFFAOYSA-N	1	0	416.501	1.634	10	0		HDAERO
O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000058163329	558906561	/nfs/dbraw/zinc/90/65/61/558906561.db2.gz	VSVKVCDHSKYEOY-QUCCMNQESA-N	1	0	416.522	1.781	10	0		HDAERO
CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000012314356	568466620	/nfs/dbraw/zinc/46/66/20/568466620.db2.gz	DJFRZDPGCAGTAK-NRFANRHFSA-N	1	0	400.567	1.752	10	0		HDAERO
CC[NH+]1CCN(CCCNC(=O)Cn2nc(C)n3c(cc4cc(C)ccc43)c2=O)CC1	ZINC000020384524	568603114	/nfs/dbraw/zinc/60/31/14/568603114.db2.gz	MYVIKYRAJMHDHZ-UHFFFAOYSA-N	1	0	424.549	1.410	10	0		HDAERO
O=C1CC2(CCCC2)[C@@H](O)C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000022060383	571315216	/nfs/dbraw/zinc/31/52/16/571315216.db2.gz	KOZNAHJIJGCFJJ-SFHVURJKSA-N	1	0	401.511	1.059	10	0	world	HDAERO
CCCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1ccc(OCCO)cc1)CC2	ZINC000072125530	558502680	/nfs/dbraw/zinc/50/26/80/558502680.db2.gz	MNBOUNIQHOAVBT-IBGZPJMESA-N	1	0	420.506	1.755	10	0		HDAERO
O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000058163335	558906604	/nfs/dbraw/zinc/90/66/04/558906604.db2.gz	VSVKVCDHSKYEOY-AZUAARDMSA-N	1	0	416.522	1.781	10	0		HDAERO
CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1cccn1-c1ncccn1)CC2	ZINC000072157190	558929968	/nfs/dbraw/zinc/92/99/68/558929968.db2.gz	YWBSEAZIHZEXRY-QGZVFWFLSA-N	1	0	413.478	1.575	10	0		HDAERO
COCCN(C)c1cnn([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c(=O)c1	ZINC000583615227	560776026	/nfs/dbraw/zinc/77/60/26/560776026.db2.gz	ZLVZHLZMUMPVLA-QGZVFWFLSA-N	1	0	410.478	1.451	10	0		HDAERO
COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)c1C	ZINC000085621234	560807464	/nfs/dbraw/zinc/80/74/64/560807464.db2.gz	JFNHADDANJKVTB-KRWDZBQOSA-N	1	0	418.538	1.872	10	0		HDAERO
COc1cccc2c1cc1c(=O)n(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)nc(C)n12	ZINC000006749782	568458354	/nfs/dbraw/zinc/45/83/54/568458354.db2.gz	LWGALUDUPKIGPT-OAHLLOKOSA-N	1	0	411.506	1.957	10	0		HDAERO
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)cnc1N1CC[NH2+]CC1	ZINC000065025221	569156238	/nfs/dbraw/zinc/15/62/38/569156238.db2.gz	BLFQKLZWGIZDMP-UHFFFAOYSA-N	1	0	417.535	1.659	10	0		HDAERO
O[C@H](C[NH2+]C[C@H](O)[C@@H]1C[C@H](O)c2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1	ZINC000044020795	526276450	/nfs/dbraw/zinc/27/64/50/526276450.db2.gz	SHOYFMMYOPYJML-NUUGVNSMSA-N	1	0	421.440	1.855	10	0	in-vitro	HDAERO
Cc1cc(C)nc(CC[NH2+]Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)n1	ZINC000019794507	558283831	/nfs/dbraw/zinc/28/38/31/558283831.db2.gz	ZXBKQPRLGLINJK-FQEVSTJZSA-N	1	0	400.523	1.498	10	0		HDAERO
COc1ccc(OC)c(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1	ZINC000066348671	558983737	/nfs/dbraw/zinc/98/37/37/558983737.db2.gz	XDKXOJBTCIHJIK-JSGCOSHPSA-N	1	0	400.497	1.672	10	0		HDAERO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O	ZINC000004731122	559030666	/nfs/dbraw/zinc/03/06/66/559030666.db2.gz	UBIMYVIGOJZYIA-QGZVFWFLSA-N	1	0	413.522	1.284	10	0		HDAERO
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CC[N@@H+](Cc1ccc(O)cc1)CC2	ZINC000012244845	568455884	/nfs/dbraw/zinc/45/58/84/568455884.db2.gz	OGRKVSKBNFEUBW-PXNSSMCTSA-N	1	0	413.522	1.892	10	0		HDAERO
COc1ccc(C(=O)/N=c2\sc(C)cn2[C@H](C)C(=O)NCC[NH+](C)C)cc1OC	ZINC000037428350	569298792	/nfs/dbraw/zinc/29/87/92/569298792.db2.gz	QZINPDZZJBJSSE-KHESLQRKSA-N	1	0	420.535	1.855	10	0		HDAERO
COC(=O)C1CC[NH+](CC[C@@H]2CC[C@H](O)[C@@H](C(=O)N(C)Cc3ccccc3)O2)CC1	ZINC000067870581	291194488	/nfs/dbraw/zinc/19/44/88/291194488.db2.gz	UGTNEVGBOPJNEJ-ACRUOGEOSA-N	1	0	418.534	1.829	10	0		HDAERO
COc1cccc(-c2noc(CC[N@H+](CC(C)C)C[C@@H](O)CN3CCOCC3)n2)c1	ZINC000036147701	569098575	/nfs/dbraw/zinc/09/85/75/569098575.db2.gz	APDPDUHRODVRIR-IBGZPJMESA-N	1	0	418.538	1.939	10	0		HDAERO
CCn1nc(C)c(C[N@@H+]2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)c1C	ZINC000328602903	569416782	/nfs/dbraw/zinc/41/67/82/569416782.db2.gz	DBNHCVCQYYJAEZ-GOSISDBHSA-N	1	0	400.527	1.750	10	0		HDAERO
C[NH+]1CCN(CCNC(=O)Cn2c3cccnc3n(C3CCCCC3)c2=O)CC1	ZINC000065202699	571317985	/nfs/dbraw/zinc/31/79/85/571317985.db2.gz	PUNVUWPLMDWKAC-UHFFFAOYSA-N	1	0	400.527	1.067	10	0		HDAERO
COc1ccc(C(=O)N2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)cc1	ZINC000328606221	569418417	/nfs/dbraw/zinc/41/84/17/569418417.db2.gz	QTLCIDOIBIGCKF-GOSISDBHSA-N	1	0	411.506	1.481	10	0		HDAERO
CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)[N@@H+]1C	ZINC000035442517	291192552	/nfs/dbraw/zinc/19/25/52/291192552.db2.gz	DQXOLLOTYXASCU-ZVDOUQERSA-N	1	0	404.530	1.847	10	0	biogenic	HDAERO
O[C@H](C[NH2+]C[C@H](O)[C@@H]1C[C@H](O)c2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1	ZINC000044020792	526276356	/nfs/dbraw/zinc/27/63/56/526276356.db2.gz	SHOYFMMYOPYJML-UNTMZNOTSA-N	1	0	421.440	1.855	10	0	in-vitro	HDAERO
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H]([NH3+])[C@@H]1OCc1ccccc1	ZINC000005726221	557670991	/nfs/dbraw/zinc/67/09/91/557670991.db2.gz	QRXWHPXHJXOSJN-YXIAPDDASA-N	1	0	400.475	1.338	10	0		HDAERO
CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1cccn1-c1ncccn1)CC2	ZINC000072157191	558929953	/nfs/dbraw/zinc/92/99/53/558929953.db2.gz	YWBSEAZIHZEXRY-KRWDZBQOSA-N	1	0	413.478	1.575	10	0		HDAERO
CC(C)N1CCN(Cc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)C(=O)C1=O	ZINC000065129949	558970237	/nfs/dbraw/zinc/97/02/37/558970237.db2.gz	FCIAJNSHJRWTSS-UHFFFAOYSA-N	1	0	414.550	1.872	10	0		HDAERO
C[C@H](C(=O)N1CCC[C@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1)c1ccccc1	ZINC000328602553	569416618	/nfs/dbraw/zinc/41/66/18/569416618.db2.gz	CATSCHSKTQFDEJ-ICSRJNTNSA-N	1	0	409.534	1.962	10	0		HDAERO
COc1ccc(C(=O)N2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)cc1	ZINC000328606222	569418449	/nfs/dbraw/zinc/41/84/49/569418449.db2.gz	QTLCIDOIBIGCKF-SFHVURJKSA-N	1	0	411.506	1.481	10	0		HDAERO
O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1	ZINC000328606956	569418745	/nfs/dbraw/zinc/41/87/45/569418745.db2.gz	UFRBWCVPQMAVAO-GOSISDBHSA-N	1	0	408.506	1.918	10	0		HDAERO
CC(=O)N1CCC([NH2+][C@@H]2C[C@H](CNc3nc4ccccc4s3)[C@@H](O)[C@H]2O)CC1	ZINC000225502021	291190275	/nfs/dbraw/zinc/19/02/75/291190275.db2.gz	WXFTWZQERNUNTC-AZFSHXRASA-N	1	0	404.536	1.419	10	0		HDAERO
COc1ccc(CN2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cc1F	ZINC000328604396	569417390	/nfs/dbraw/zinc/41/73/90/569417390.db2.gz	JMJGIEHUPXFTGK-WMZOPIPTSA-N	1	0	402.470	1.799	10	0		HDAERO
O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)C1	ZINC000328607756	569418983	/nfs/dbraw/zinc/41/89/83/569418983.db2.gz	WYQAKOLMLQBEBV-GOSISDBHSA-N	1	0	408.506	1.689	10	0		HDAERO
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CC[N@@H+](Cc1ccc(O)cc1)CC2	ZINC000012244844	568455795	/nfs/dbraw/zinc/45/57/95/568455795.db2.gz	OGRKVSKBNFEUBW-FXAWDEMLSA-N	1	0	413.522	1.892	10	0		HDAERO
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1	ZINC000096398477	568694662	/nfs/dbraw/zinc/69/46/62/568694662.db2.gz	OMMGKKWCEKXJMC-MRXNPFEDSA-N	1	0	405.564	1.878	10	0		HDAERO
O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCSCC1)c1cccs1	ZINC000020503866	575370498	/nfs/dbraw/zinc/37/04/98/575370498.db2.gz	WOINIYLGJZWSPY-HRCADAONSA-N	1	0	401.623	1.786	10	0	biogenic	HDAERO
O=C(CN(CCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1	ZINC000045974640	526696480	/nfs/dbraw/zinc/69/64/80/526696480.db2.gz	PLTGNJDLLXHPPH-UHFFFAOYSA-N	1	0	419.522	1.881	10	0		HDAERO
CC[NH+]1CCN(CCNC(=O)CN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)CC1	ZINC000020918087	535700056	/nfs/dbraw/zinc/70/00/56/535700056.db2.gz	DDBJBDOWRCMTOS-OAQYLSRUSA-N	1	0	423.517	1.302	10	0		HDAERO
COc1ccc(Cl)cc1N1CCN(Cc2nc(C(=O)NCC[NH+](C)C)co2)CC1	ZINC000034668266	557361708	/nfs/dbraw/zinc/36/17/08/557361708.db2.gz	NGAXTNKGXZJONF-UHFFFAOYSA-N	1	0	421.929	1.950	10	0		HDAERO
O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000058163332	558906603	/nfs/dbraw/zinc/90/66/03/558906603.db2.gz	VSVKVCDHSKYEOY-UYAOXDASSA-N	1	0	416.522	1.781	10	0		HDAERO
C[C@H](O)CNC1=[NH+][C@@H]2[C@H](C(=O)N(Cc3ccccc3)C(=O)N2C)N1Cc1ccccc1	ZINC000036559508	569199595	/nfs/dbraw/zinc/19/95/95/569199595.db2.gz	FLMVFSMZJARHAL-DBVUQKKJSA-N	1	0	421.501	1.618	10	0		HDAERO
O=C1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]2N1CCCN1CCOCC1	ZINC000014959517	558683668	/nfs/dbraw/zinc/68/36/68/558683668.db2.gz	FGOVXGRIVYJEMA-UXHICEINSA-N	1	0	415.534	1.951	10	0		HDAERO
O=C(NCCN1CCOCC1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1	ZINC000015727029	568978309	/nfs/dbraw/zinc/97/83/09/568978309.db2.gz	GJBQNOFAMIOSAY-UHFFFAOYSA-N	1	0	401.486	1.540	10	0		HDAERO
O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1	ZINC000328606957	569418712	/nfs/dbraw/zinc/41/87/12/569418712.db2.gz	UFRBWCVPQMAVAO-SFHVURJKSA-N	1	0	408.506	1.918	10	0		HDAERO
O=C(CN(CCCc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1	ZINC000045974645	526696028	/nfs/dbraw/zinc/69/60/28/526696028.db2.gz	JVQCYXMLGDHUJY-UHFFFAOYSA-N	1	0	401.532	1.742	10	0		HDAERO
CCOc1cc(CNCCC[NH2+]CCO)ccc1Oc1nnnn1-c1ccccc1	ZINC000013733330	558587560	/nfs/dbraw/zinc/58/75/60/558587560.db2.gz	BDAQVSWJYJGYTE-UHFFFAOYSA-N	1	0	412.494	1.915	10	0		HDAERO
O=C(c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1)N1CCCC1	ZINC000065025141	558591059	/nfs/dbraw/zinc/59/10/59/558591059.db2.gz	TVGSQZYRDJNMRQ-UHFFFAOYSA-N	1	0	415.519	1.528	10	0		HDAERO
COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2)CC[C@H]1N1CCOCC1	ZINC000014998860	558697033	/nfs/dbraw/zinc/69/70/33/558697033.db2.gz	XHHHXVUXAAZOAU-VQTJNVASSA-N	1	0	404.507	1.949	10	0		HDAERO
O=C(NCCCN1CCCC1=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1	ZINC000065255880	558726411	/nfs/dbraw/zinc/72/64/11/558726411.db2.gz	BTPBVLDWRJWJHF-HXUWFJFHSA-N	1	0	407.518	1.975	10	0		HDAERO
COc1cc2[nH]c(=O)n(CC[NH2+]C[C@@H]3COc4ccccc4O3)c(=O)c2cc1OC	ZINC000048533637	569358446	/nfs/dbraw/zinc/35/84/46/569358446.db2.gz	CMKXHAZBNWIVDW-CYBMUJFWSA-N	1	0	413.430	1.137	10	0		HDAERO
CC(C)Cc1noc(CN2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)n1	ZINC000328602207	569416432	/nfs/dbraw/zinc/41/64/32/569416432.db2.gz	ATRBWYFSESIFBH-KRWDZBQOSA-N	1	0	415.542	1.414	10	0		HDAERO
CC[NH+](CC)CCNC(=O)[C@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1	ZINC000035482218	558792914	/nfs/dbraw/zinc/79/29/14/558792914.db2.gz	ZGDYPIMTWARWHV-INIZCTEOSA-N	1	0	406.527	1.728	10	0		HDAERO
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32	ZINC000056870838	569053720	/nfs/dbraw/zinc/05/37/20/569053720.db2.gz	ZDKMPOJNYNVYLA-PEGGBQQISA-N	1	0	414.502	1.071	10	0	in-vitro	HDAERO
C[C@H](C(=O)N1CCC[C@@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1)c1ccccc1	ZINC000328602552	569416660	/nfs/dbraw/zinc/41/66/60/569416660.db2.gz	CATSCHSKTQFDEJ-AZUAARDMSA-N	1	0	409.534	1.962	10	0		HDAERO
CC(C)c1nsc(N2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)n1	ZINC000328606554	569418545	/nfs/dbraw/zinc/41/85/45/569418545.db2.gz	RYZHOWOWGHNLCR-HNNXBMFYSA-N	1	0	403.556	1.812	10	0		HDAERO
O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCC[N@H+](Cc2cnn3ccccc23)C1	ZINC000328607757	569419051	/nfs/dbraw/zinc/41/90/51/569419051.db2.gz	WYQAKOLMLQBEBV-SFHVURJKSA-N	1	0	408.506	1.689	10	0		HDAERO
c1ccc(C[N@@H+]2CCCN(c3nc4nonc4nc3N3CCSCC3)CC2)nc1	ZINC000012431899	132359893	/nfs/dbraw/zinc/35/98/93/132359893.db2.gz	VQJSXZYBKOBOPW-UHFFFAOYSA-N	1	0	412.523	1.673	10	0		HDAERO
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](CCc1ccccc1)CC2	ZINC000020867236	558417805	/nfs/dbraw/zinc/41/78/05/558417805.db2.gz	YBNYKHCEPLCUJM-UHFFFAOYSA-N	1	0	400.523	1.859	10	0		HDAERO
C[NH+]1CCN(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1	ZINC000033031794	558855964	/nfs/dbraw/zinc/85/59/64/558855964.db2.gz	OEROMVXTIGGCCO-UHFFFAOYSA-N	1	0	413.497	1.537	10	0		HDAERO
C[NH+](C)CCn1ccc2cc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc21	ZINC000051433646	568456333	/nfs/dbraw/zinc/45/63/33/568456333.db2.gz	DUYYDMMHOXWIBX-UHFFFAOYSA-N	1	0	413.503	1.639	10	0		HDAERO
O=C(c1nn(CCCc2ccccc2)c2c1C[N@H+](CC1CC1)CC2)N1CCNC(=O)C1	ZINC000020453278	568608986	/nfs/dbraw/zinc/60/89/86/568608986.db2.gz	BKMYXERFDMADCW-UHFFFAOYSA-N	1	0	421.545	1.856	10	0		HDAERO
C[C@H](O)CNC1=[NH+][C@@H]2[C@@H](C(=O)N(Cc3ccccc3)C(=O)N2C)N1Cc1ccccc1	ZINC000226771695	569039935	/nfs/dbraw/zinc/03/99/35/569039935.db2.gz	FLMVFSMZJARHAL-VDGAXYAQSA-N	1	0	421.501	1.618	10	0		HDAERO
Cc1cc(C)nc(CC[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)n1	ZINC000019794508	558283697	/nfs/dbraw/zinc/28/36/97/558283697.db2.gz	ZXBKQPRLGLINJK-HXUWFJFHSA-N	1	0	400.523	1.498	10	0		HDAERO
Cn1nnnc1SCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1	ZINC000013717662	558580202	/nfs/dbraw/zinc/58/02/02/558580202.db2.gz	NEHNWVXKNCXEJS-UHFFFAOYSA-N	1	0	409.479	1.860	10	0		HDAERO
Cc1ccc(CN2CCc3c(cc(C(=O)NCCN4CC[NH+](C)CC4)n3C)C2)cc1	ZINC000065210945	558655344	/nfs/dbraw/zinc/65/53/44/558655344.db2.gz	CQHCHKLKZBRCHI-UHFFFAOYSA-N	1	0	409.578	1.869	10	0		HDAERO
CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1	ZINC000035482217	558792844	/nfs/dbraw/zinc/79/28/44/558792844.db2.gz	ZGDYPIMTWARWHV-MRXNPFEDSA-N	1	0	406.527	1.728	10	0		HDAERO
COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)c(=O)c1	ZINC000583615226	560776060	/nfs/dbraw/zinc/77/60/60/560776060.db2.gz	ZLVZHLZMUMPVLA-KRWDZBQOSA-N	1	0	410.478	1.451	10	0		HDAERO
C[N@@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1	ZINC000035442364	291194173	/nfs/dbraw/zinc/19/41/73/291194173.db2.gz	DBHVOHRLDQMFAV-DWLFOUALSA-N	1	0	410.518	1.749	10	0		HDAERO
CCC[N@H+]1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1	ZINC000015000064	558697309	/nfs/dbraw/zinc/69/73/09/558697309.db2.gz	RNIOYMHSZOTIGJ-INIZCTEOSA-N	1	0	405.495	1.293	10	0		HDAERO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O	ZINC000004731123	559030732	/nfs/dbraw/zinc/03/07/32/559030732.db2.gz	UBIMYVIGOJZYIA-KRWDZBQOSA-N	1	0	413.522	1.284	10	0		HDAERO
CC(C)(C)OC(=O)N1CCC[C@H](n2nnc(C[NH3+])c2I)C1	ZINC000675051880	568736103	/nfs/dbraw/zinc/73/61/03/568736103.db2.gz	VZEAQFBDUQARGC-VIFPVBQESA-N	1	0	407.256	1.913	10	0		HDAERO
COc1ccc(CN2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cc1F	ZINC000328604395	569417383	/nfs/dbraw/zinc/41/73/83/569417383.db2.gz	JMJGIEHUPXFTGK-AEFFLSMTSA-N	1	0	402.470	1.799	10	0		HDAERO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1)NCc1cccnc1	ZINC000015673804	291199741	/nfs/dbraw/zinc/19/97/41/291199741.db2.gz	URAPHKLLWTUERE-OALUTQOASA-N	1	0	413.522	1.377	10	0	biogenic	HDAERO
O=C(c1ccc(N2CCC([NH2+]CCN3CCOCC3)CC2)cc1)N1CCC[C@@H](O)C1	ZINC000020454448	526698000	/nfs/dbraw/zinc/69/80/00/526698000.db2.gz	AKQCNRCADIYDBP-JOCHJYFZSA-N	1	0	416.566	1.174	10	0		HDAERO
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CC[N@@H+](Cc1ccc(O)cc1)CC2	ZINC000012244843	568455773	/nfs/dbraw/zinc/45/57/73/568455773.db2.gz	OGRKVSKBNFEUBW-XLIONFOSSA-N	1	0	413.522	1.892	10	0		HDAERO
CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000012314357	568466352	/nfs/dbraw/zinc/46/63/52/568466352.db2.gz	DJFRZDPGCAGTAK-OAQYLSRUSA-N	1	0	400.567	1.752	10	0		HDAERO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)cc3)CN21)N1CCCCC1	ZINC000035442308	291201202	/nfs/dbraw/zinc/20/12/02/291201202.db2.gz	AZDHVVQVJVNZRZ-ZCNNSNEGSA-N	1	0	402.514	1.649	10	0		HDAERO
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC([NH3+])C2)cc1	ZINC000071373259	558896983	/nfs/dbraw/zinc/89/69/83/558896983.db2.gz	NEJZOSOGFFNALR-UHFFFAOYSA-N	1	0	423.560	1.326	10	0		HDAERO
COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@H+](CC(C)C)C[C@H]2C[C@@H](O)CN23)c1	ZINC000514288557	560034593	/nfs/dbraw/zinc/03/45/93/560034593.db2.gz	CKRPTHYVLXVEAT-RTBURBONSA-N	1	0	401.507	1.075	10	0	biogenic	HDAERO
CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000328607735	569419092	/nfs/dbraw/zinc/41/90/92/569419092.db2.gz	WWAJTYOBAGLLEN-QGZVFWFLSA-N	1	0	400.527	1.938	10	0		HDAERO
Cc1ccc(C(=O)N(CC[NH+]2CCCCC2)CCS(=O)(=O)N2CCNCC2)cc1	ZINC000046141067	558839926	/nfs/dbraw/zinc/83/99/26/558839926.db2.gz	SMFCFKNCTKPLIL-UHFFFAOYSA-N	1	0	422.595	1.158	10	0		HDAERO
O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000058163334	558906574	/nfs/dbraw/zinc/90/65/74/558906574.db2.gz	VSVKVCDHSKYEOY-ICSRJNTNSA-N	1	0	416.522	1.781	10	0		HDAERO
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CC[N@@H+](Cc1ccc(O)cc1)CC2	ZINC000012244842	568455876	/nfs/dbraw/zinc/45/58/76/568455876.db2.gz	OGRKVSKBNFEUBW-YLJYHZDGSA-N	1	0	413.522	1.892	10	0		HDAERO
CCn1nc(C)c(C[N@@H+]2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)c1C	ZINC000328602906	569416756	/nfs/dbraw/zinc/41/67/56/569416756.db2.gz	DBNHCVCQYYJAEZ-SFHVURJKSA-N	1	0	400.527	1.750	10	0		HDAERO
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000020531854	519520371	/nfs/dbraw/zinc/52/03/71/519520371.db2.gz	YKWXVUKOEHKWSI-HZPDHXFCSA-N	1	0	405.539	1.725	10	0		HDAERO
O[C@@H](C[NH2+]C[C@H](O)[C@@H]1C[C@H](O)c2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1	ZINC000044020801	527652260	/nfs/dbraw/zinc/65/22/60/527652260.db2.gz	SHOYFMMYOPYJML-SPAGYVKCSA-N	1	0	421.440	1.855	10	0	in-vitro	HDAERO
CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2	ZINC000012078166	558320385	/nfs/dbraw/zinc/32/03/85/558320385.db2.gz	FMVRLQGWCSAXHC-GOSISDBHSA-N	1	0	421.523	1.311	10	0		HDAERO
O=C(NC1CCCCC1)[C@H]1O[C@H](CC[NH+]2CCN(c3ccccn3)CC2)CC[C@@H]1O	ZINC000030878892	560089997	/nfs/dbraw/zinc/08/99/97/560089997.db2.gz	FECOZBFKUAYNTH-ONTIZHBOSA-N	1	0	416.566	1.951	10	0	biogenic	HDAERO
COc1cccc2c1cc1c(=O)n(CC(=O)NCC[NH+]3CCCCCC3)nc(C)n12	ZINC000006749779	568458407	/nfs/dbraw/zinc/45/84/07/568458407.db2.gz	MQDKZZWAWOVMEW-UHFFFAOYSA-N	1	0	411.506	1.958	10	0		HDAERO
C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(OC)cc4)ccc3NC(=O)[C@@H]2C1	ZINC000012604811	291194525	/nfs/dbraw/zinc/19/45/25/291194525.db2.gz	LEVSLMKLRSQVSI-JXFKEZNVSA-N	1	0	422.485	1.623	10	0	biogenic	HDAERO
C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCCN1CCOCC1	ZINC000014996080	558696140	/nfs/dbraw/zinc/69/61/40/558696140.db2.gz	WEEJWLPRGFORCS-FCHUYYIVSA-N	1	0	402.583	1.667	10	0		HDAERO
O=C(NCCCN1CCCC1=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1	ZINC000065255879	558726315	/nfs/dbraw/zinc/72/63/15/558726315.db2.gz	BTPBVLDWRJWJHF-FQEVSTJZSA-N	1	0	407.518	1.975	10	0		HDAERO
Cn1c2nc(-c3ccccc3)n(C[C@H](O)C[NH2+]C3CCCCC3)c2c(=O)n(C)c1=O	ZINC000048546364	569358686	/nfs/dbraw/zinc/35/86/86/569358686.db2.gz	XDDJWIOIBODHHQ-QGZVFWFLSA-N	1	0	411.506	1.384	10	0		HDAERO
Cc1cccc(CC(=O)N2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)c1	ZINC000328607479	569419168	/nfs/dbraw/zinc/41/91/68/569419168.db2.gz	WBQQHYCQVYLNRJ-HXUWFJFHSA-N	1	0	409.534	1.710	10	0		HDAERO
CCC[N@H+]1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1	ZINC000015000061	558697367	/nfs/dbraw/zinc/69/73/67/558697367.db2.gz	RNIOYMHSZOTIGJ-MRXNPFEDSA-N	1	0	405.495	1.293	10	0		HDAERO
COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@H+](CC(C)C)C[C@@H]2C[C@@H](O)CN23)c1	ZINC000514288556	560034520	/nfs/dbraw/zinc/03/45/20/560034520.db2.gz	CKRPTHYVLXVEAT-RBUKOAKNSA-N	1	0	401.507	1.075	10	0	biogenic	HDAERO
COc1cccc2c1cc1c(=O)n(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)nc(C)n12	ZINC000006749781	568458417	/nfs/dbraw/zinc/45/84/17/568458417.db2.gz	LWGALUDUPKIGPT-HNNXBMFYSA-N	1	0	411.506	1.957	10	0		HDAERO
CC(C)(C)OC(=O)N1CCC[C@@H](n2nnc(C[NH3+])c2I)C1	ZINC000675051879	568736021	/nfs/dbraw/zinc/73/60/21/568736021.db2.gz	VZEAQFBDUQARGC-SECBINFHSA-N	1	0	407.256	1.913	10	0		HDAERO
COc1ccccc1C(=O)Nc1cc2c(cc1N1CC[NH2+]C[C@@H]1C)n(C)c(=O)n2C	ZINC000653823139	568765703	/nfs/dbraw/zinc/76/57/03/568765703.db2.gz	FQWDVNSBYDXPIO-AWEZNQCLSA-N	1	0	409.490	1.936	10	0		HDAERO
Cc1ccn2c(C[NH2+]C[C@@H]3CCn4ncc(C(=O)N5CCOCC5)c4C3)cnc2c1	ZINC000328605579	569418133	/nfs/dbraw/zinc/41/81/33/569418133.db2.gz	OAXONOQYSFRGGD-QGZVFWFLSA-N	1	0	408.506	1.664	10	0		HDAERO
COCCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2	ZINC000072145082	558533875	/nfs/dbraw/zinc/53/38/75/558533875.db2.gz	JTSYDVASOVMVCD-GOSISDBHSA-N	1	0	418.490	1.556	10	0		HDAERO
CC(C)CCNC(=O)c1coc(CN2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)n1	ZINC000034677450	558782754	/nfs/dbraw/zinc/78/27/54/558782754.db2.gz	ZXQBALXFTLZHOA-GOSISDBHSA-N	1	0	409.575	1.269	10	0		HDAERO
Cn1ccnc1SCCNC(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1	ZINC000012302672	568464257	/nfs/dbraw/zinc/46/42/57/568464257.db2.gz	KKZRFKGNDJHPSS-QGZVFWFLSA-N	1	0	401.536	1.062	10	0		HDAERO
O[C@@H](C[NH2+]C[C@H](O)[C@@H]1C[C@H](O)c2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1	ZINC000044020798	527653054	/nfs/dbraw/zinc/65/30/54/527653054.db2.gz	SHOYFMMYOPYJML-BDCMKUQMSA-N	1	0	421.440	1.855	10	0	in-vitro	HDAERO
CCCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1ccc(OCCO)cc1)CC2	ZINC000072125529	558502759	/nfs/dbraw/zinc/50/27/59/558502759.db2.gz	MNBOUNIQHOAVBT-LJQANCHMSA-N	1	0	420.506	1.755	10	0		HDAERO
CC(C)CCNC(=O)c1coc(CN2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1	ZINC000034677451	558782742	/nfs/dbraw/zinc/78/27/42/558782742.db2.gz	ZXQBALXFTLZHOA-SFHVURJKSA-N	1	0	409.575	1.269	10	0		HDAERO
Cn1ccnc1SCCNC(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1	ZINC000012302671	568464179	/nfs/dbraw/zinc/46/41/79/568464179.db2.gz	KKZRFKGNDJHPSS-KRWDZBQOSA-N	1	0	401.536	1.062	10	0		HDAERO
CC(C)c1nnc(CN2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)n1C	ZINC000328602723	569416669	/nfs/dbraw/zinc/41/66/69/569416669.db2.gz	CLRTXSXFNUISIE-QGZVFWFLSA-N	1	0	414.558	1.084	10	0		HDAERO
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCC[NH+](C)C)c21	ZINC000002459238	560770995	/nfs/dbraw/zinc/77/09/95/560770995.db2.gz	ORHUYOMGJZSLGG-UHFFFAOYSA-N	1	0	418.357	1.978	10	0		HDAERO
Cc1ccc2c(cc3c(=O)n(CC(=O)NCCCN4CC[NH+](C)CC4)nc(C)n32)c1	ZINC000020384518	568603000	/nfs/dbraw/zinc/60/30/00/568603000.db2.gz	FJTSCVJQWWNPNH-UHFFFAOYSA-N	1	0	410.522	1.020	10	0		HDAERO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1	ZINC000142418682	568668493	/nfs/dbraw/zinc/66/84/93/568668493.db2.gz	LQUJQJPFOKOJIR-GOSISDBHSA-N	1	0	409.490	1.287	10	0		HDAERO
CCC[NH+]1CCN(C(=O)c2ccc(CN3CCN(C(C)C)C(=O)C3=O)cc2)CC1	ZINC000065129928	569183332	/nfs/dbraw/zinc/18/33/32/569183332.db2.gz	BCZCINNVXKFCEP-UHFFFAOYSA-N	1	0	400.523	1.434	10	0		HDAERO
COc1cc2[nH]c(=O)n(CC[NH2+]C[C@H]3COc4ccccc4O3)c(=O)c2cc1OC	ZINC000048533639	569358496	/nfs/dbraw/zinc/35/84/96/569358496.db2.gz	CMKXHAZBNWIVDW-ZDUSSCGKSA-N	1	0	413.430	1.137	10	0		HDAERO
Cn1c2nc(-c3ccccc3)n(C[C@@H](O)C[NH2+]C3CCCCC3)c2c(=O)n(C)c1=O	ZINC000048546367	569358691	/nfs/dbraw/zinc/35/86/91/569358691.db2.gz	XDDJWIOIBODHHQ-KRWDZBQOSA-N	1	0	411.506	1.384	10	0		HDAERO
CC(C)Cc1noc(CN2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)n1	ZINC000328602212	569416425	/nfs/dbraw/zinc/41/64/25/569416425.db2.gz	ATRBWYFSESIFBH-QGZVFWFLSA-N	1	0	415.542	1.414	10	0		HDAERO
COCCN1C(=O)C[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1cnn(C(C)C)c1	ZINC000328606598	569418528	/nfs/dbraw/zinc/41/85/28/569418528.db2.gz	SCDUZLJAQCXCCA-HRAATJIYSA-N	1	0	411.510	1.833	10	0		HDAERO
CCCCNc1nc2c([nH]c(=O)n2Cc2ccc(OCC[NH+](C)C)nc2)c(N)n1	ZINC000043200174	558832193	/nfs/dbraw/zinc/83/21/93/558832193.db2.gz	SSZHESNDOMBSRV-UHFFFAOYSA-N	1	0	400.487	1.298	10	0	in-vitro	HDAERO
Cc1ccccc1C(=O)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CCNCC1	ZINC000046141068	558839889	/nfs/dbraw/zinc/83/98/89/558839889.db2.gz	WQYARGRMJQWISW-UHFFFAOYSA-N	1	0	422.595	1.158	10	0		HDAERO
CC(C)[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1	ZINC000096398478	568694591	/nfs/dbraw/zinc/69/45/91/568694591.db2.gz	OMMGKKWCEKXJMC-INIZCTEOSA-N	1	0	405.564	1.878	10	0		HDAERO
COc1cccc(-c2noc(CC[N@H+](CC(C)C)C[C@H](O)CN3CCOCC3)n2)c1	ZINC000036147698	569098657	/nfs/dbraw/zinc/09/86/57/569098657.db2.gz	APDPDUHRODVRIR-LJQANCHMSA-N	1	0	418.538	1.939	10	0		HDAERO
NC(=O)[C@H](Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]2CC1=O	ZINC000015673233	291199453	/nfs/dbraw/zinc/19/94/53/291199453.db2.gz	CANIKRMPPBIYGW-BJLQDIEVSA-N	1	0	401.555	1.947	10	0		HDAERO
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[NH2+]CC1	ZINC000077291180	569391252	/nfs/dbraw/zinc/39/12/52/569391252.db2.gz	LFRHHPHPOFYOKJ-JSRBNTPPSA-N	1	0	423.557	1.276	10	0	in-vitro	HDAERO
CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000328607734	569419042	/nfs/dbraw/zinc/41/90/42/569419042.db2.gz	WWAJTYOBAGLLEN-KRWDZBQOSA-N	1	0	400.527	1.938	10	0		HDAERO
Cc1cccc(CC(=O)N2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)c1	ZINC000328607477	569419111	/nfs/dbraw/zinc/41/91/11/569419111.db2.gz	WBQQHYCQVYLNRJ-FQEVSTJZSA-N	1	0	409.534	1.710	10	0		HDAERO
Cc1cc(C)c(S(=O)(=O)N(CCN2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1C	ZINC000045974188	524315563	/nfs/dbraw/zinc/31/55/63/524315563.db2.gz	YMEQKVNZGKKDHR-UHFFFAOYSA-N	1	0	422.595	1.130	10	0		HDAERO
O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCC[N@H+](Cc3ccccn3)CC2)C1	ZINC000019852349	558295844	/nfs/dbraw/zinc/29/58/44/558295844.db2.gz	OUZOXWSWXQYCOH-SFTDATJTSA-N	1	0	416.547	1.023	10	0		HDAERO
C[N@@H+]1CC[C@H](CNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H]1c1cccnc1	ZINC000077273251	559000140	/nfs/dbraw/zinc/00/01/40/559000140.db2.gz	WTRHRWSKVHYWAT-YSDSKTICSA-N	1	0	417.579	1.916	10	0	in-vitro	HDAERO
CC(C)(C)OC(=O)N1CCC(n2nnc(C[NH3+])c2I)CC1	ZINC000675051704	569255994	/nfs/dbraw/zinc/25/59/94/569255994.db2.gz	QYQGTAOBJOCUMY-UHFFFAOYSA-N	1	0	407.256	1.913	10	0		HDAERO
CC(C)Cn1ncnc1CN1CCC[C@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1	ZINC000328604709	569417694	/nfs/dbraw/zinc/41/76/94/569417694.db2.gz	KYYAXPWSARGMON-SFHVURJKSA-N	1	0	414.558	1.080	10	0		HDAERO
COCCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2	ZINC000072145083	558533846	/nfs/dbraw/zinc/53/38/46/558533846.db2.gz	JTSYDVASOVMVCD-SFHVURJKSA-N	1	0	418.490	1.556	10	0		HDAERO
COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)c1C	ZINC000085621238	560807515	/nfs/dbraw/zinc/80/75/15/560807515.db2.gz	JFNHADDANJKVTB-QGZVFWFLSA-N	1	0	418.538	1.872	10	0		HDAERO
COc1ccc(C(=O)/N=c2\sc(C)cn2[C@@H](C)C(=O)NCC[NH+](C)C)cc1OC	ZINC000037428349	569298744	/nfs/dbraw/zinc/29/87/44/569298744.db2.gz	QZINPDZZJBJSSE-CEGCDYRFSA-N	1	0	420.535	1.855	10	0		HDAERO
CC(C)c1nnc(CN2CCC[C@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)n1C	ZINC000328602722	569416673	/nfs/dbraw/zinc/41/66/73/569416673.db2.gz	CLRTXSXFNUISIE-KRWDZBQOSA-N	1	0	414.558	1.084	10	0		HDAERO
Cc1ccn2c(C[NH2+]C[C@H]3CCn4ncc(C(=O)N5CCOCC5)c4C3)cnc2c1	ZINC000328605494	569418122	/nfs/dbraw/zinc/41/81/22/569418122.db2.gz	OAXONOQYSFRGGD-KRWDZBQOSA-N	1	0	408.506	1.664	10	0		HDAERO
CN1C(=O)C[C@@H](C[NH2+]CC(C)(C)S(C)(=O)=O)[C@@H]1c1cnn(Cc2ccccc2)c1	ZINC000328607353	569418852	/nfs/dbraw/zinc/41/88/52/569418852.db2.gz	VVFMLMDFQNFBEI-FXAWDEMLSA-N	1	0	418.563	1.864	10	0		HDAERO
O=C1CC2(CCCC2)[C@H](O)C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000022060380	571315316	/nfs/dbraw/zinc/31/53/16/571315316.db2.gz	KOZNAHJIJGCFJJ-GOSISDBHSA-N	1	0	401.511	1.059	10	0	world	HDAERO
C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@]23O	ZINC000256641465	717177464	/nfs/dbraw/zinc/17/74/64/717177464.db2.gz	NEHWGXHBNGZJNY-ZLQQLFPZSA-N	1	0	406.455	1.004	10	0		HDAERO
CC(=O)N1CCC([NH2+][C@@H]2C[C@H](COc3ccc(C(F)(F)F)cn3)[C@@H](O)[C@H]2O)CC1	ZINC000225510866	291190316	/nfs/dbraw/zinc/19/03/16/291190316.db2.gz	DYGMDCVBQSUHID-QVDUIBETSA-N	1	0	417.428	1.190	10	0		HDAERO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)CN21)Nc1ccccc1	ZINC000022922283	291199590	/nfs/dbraw/zinc/19/95/90/291199590.db2.gz	XGOGVOAYRDWLQE-QKLQHJQFSA-N	1	0	412.490	1.222	10	0		HDAERO
O=C(CCN(CCCN1CCCC1=O)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1	ZINC000045966547	526473494	/nfs/dbraw/zinc/47/34/94/526473494.db2.gz	GLDIUONWRLWFQB-UHFFFAOYSA-N	1	0	422.476	1.241	10	0		HDAERO
O=C(c1ccc(N2CCC([NH2+]CCN3CCOCC3)CC2)cc1)N1CCC[C@H](O)C1	ZINC000020454450	526698466	/nfs/dbraw/zinc/69/84/66/526698466.db2.gz	AKQCNRCADIYDBP-QFIPXVFZSA-N	1	0	416.566	1.174	10	0		HDAERO
CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)CN(C)C(=O)C2)CC1	ZINC000096113395	291193660	/nfs/dbraw/zinc/19/36/60/291193660.db2.gz	HLUGMTHGUGFVHD-UYAOXDASSA-N	1	0	404.530	1.707	10	0	biogenic	HDAERO
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC[NH+](C)C)c21	ZINC000002458910	560770968	/nfs/dbraw/zinc/77/09/68/560770968.db2.gz	SAJBXNCLJOSWQW-UHFFFAOYSA-N	1	0	404.330	1.588	10	0		HDAERO
Cn1cnc2c(C(=O)NCC[NH+]3CCCCC3)nn(-c3ccc(Cl)cc3)c2c1=O	ZINC000064991912	569148249	/nfs/dbraw/zinc/14/82/49/569148249.db2.gz	JLKLMIHTLVCWFV-UHFFFAOYSA-N	1	0	414.897	1.988	10	0		HDAERO
CC(C)Cn1ncnc1CN1CCC[C@@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1	ZINC000328604708	569417737	/nfs/dbraw/zinc/41/77/37/569417737.db2.gz	KYYAXPWSARGMON-GOSISDBHSA-N	1	0	414.558	1.080	10	0		HDAERO
CC(C)c1nsc(N2CCC[C@@H](n3ncc(N4CC[NH+](C)CC4)cc3=O)C2)n1	ZINC000328606559	569418579	/nfs/dbraw/zinc/41/85/79/569418579.db2.gz	RYZHOWOWGHNLCR-OAHLLOKOSA-N	1	0	403.556	1.812	10	0		HDAERO