smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCC[N@@H+]2CC)cc1	ZINC000045966772	520892367	/nfs/dbraw/zinc/89/23/67/520892367.db2.gz	MMULUXNCMKFDLO-FQEVSTJZSA-N	2	0	416.566	1.834	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C	ZINC000045974504	521633494	/nfs/dbraw/zinc/63/34/94/521633494.db2.gz	NUUVWUZQODAZTF-LJQANCHMSA-N	2	0	422.595	1.210	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C	ZINC000045974502	521653474	/nfs/dbraw/zinc/65/34/74/521653474.db2.gz	DZHSXBUURHGDIE-IBGZPJMESA-N	2	0	422.595	1.210	50	0		HDAARP
CC[N@H+](CCn1cccn1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000011813799	558278234	/nfs/dbraw/zinc/27/82/34/558278234.db2.gz	CRGQTWBWYHQYAU-OAQYLSRUSA-N	2	0	402.539	1.602	50	0		HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCn3nc(C)cc3C)c2)CC1	ZINC000020783804	558413534	/nfs/dbraw/zinc/41/35/34/558413534.db2.gz	NQHPBQLKBHFGRF-JOCHJYFZSA-N	2	0	415.582	1.667	50	0		HDAARP
CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccc(O)cc2)C1	ZINC000023352344	558550776	/nfs/dbraw/zinc/55/07/76/558550776.db2.gz	FTXAGUPUAPHKOL-NHCUHLMSSA-N	2	0	402.583	1.994	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C3CCOCC3)cc2)CC1	ZINC000014956834	558682730	/nfs/dbraw/zinc/68/27/30/558682730.db2.gz	CJAUIZPQWXTMEM-HXUWFJFHSA-N	2	0	406.523	1.580	50	0		HDAARP
Cc1ccc(C)c(C[NH+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[N@@H+](C)C4)n3CC2)c1	ZINC000014974066	558688630	/nfs/dbraw/zinc/68/86/30/558688630.db2.gz	CJYZVHICUZNKIG-HXUWFJFHSA-N	2	0	424.593	1.954	50	0		HDAARP
COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000035422049	558791714	/nfs/dbraw/zinc/79/17/14/558791714.db2.gz	AIGSOMFPTKTKBQ-IBGZPJMESA-N	2	0	416.566	1.834	50	0		HDAARP
COCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)CC1	ZINC000019608549	558946555	/nfs/dbraw/zinc/94/65/55/558946555.db2.gz	IPZZZGWZCCWGFV-NRFANRHFSA-N	2	0	421.582	1.685	50	0		HDAARP
CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1CO	ZINC000091536729	559072007	/nfs/dbraw/zinc/07/20/07/559072007.db2.gz	PPSAWIIPERVUBG-NHCUHLMSSA-N	2	0	402.583	1.325	50	0		HDAARP
CN(C)C(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091951071	559074785	/nfs/dbraw/zinc/07/47/85/559074785.db2.gz	PYJAXSHSLSFCGO-HXUWFJFHSA-N	2	0	412.578	1.535	50	0		HDAARP
CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CC[NH+](CC)CC3)C2=O)cc1	ZINC000095483231	559081304	/nfs/dbraw/zinc/08/13/04/559081304.db2.gz	BFXDZCXFQCKRLC-HXUWFJFHSA-N	2	0	402.539	1.725	50	0		HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCC4(CCO4)CC3)c2)CC1	ZINC000095519617	559084925	/nfs/dbraw/zinc/08/49/25/559084925.db2.gz	WVVFJVRGIBQPPI-OAQYLSRUSA-N	2	0	403.567	1.819	50	0		HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+](C)C3CCOCC3)cc2OC)CC1	ZINC000020201577	558345691	/nfs/dbraw/zinc/34/56/91/558345691.db2.gz	OHTJXTAFGZMWAP-OAQYLSRUSA-N	2	0	421.582	1.683	50	0		HDAARP
CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCN2CCC(O)CC2)ccc1OC	ZINC000020452701	558366840	/nfs/dbraw/zinc/36/68/40/558366840.db2.gz	NHJQOZOXBQJRPL-FQEVSTJZSA-N	2	0	409.571	1.323	50	0		HDAARP
CC[NH+]1CCN(Cc2ccc(OC[C@H](O)CN3CC[NH+](CC)CC3)c(OC)c2)CC1	ZINC000020995301	558426647	/nfs/dbraw/zinc/42/66/47/558426647.db2.gz	NYWIWSCXULIQGV-OAQYLSRUSA-N	2	0	420.598	1.210	50	0		HDAARP
COCC1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)CN3CC[NH+](C)CC3)c2)CC1	ZINC000022926247	558523251	/nfs/dbraw/zinc/52/32/51/558523251.db2.gz	HSTCEPYDGGAIEK-OAQYLSRUSA-N	2	0	421.582	1.541	50	0		HDAARP
COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c1	ZINC000035422022	558791704	/nfs/dbraw/zinc/79/17/04/558791704.db2.gz	FRJHCIFVQOKSIF-LJQANCHMSA-N	2	0	416.566	1.834	50	0		HDAARP
COc1ccc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000035422019	558791855	/nfs/dbraw/zinc/79/18/55/558791855.db2.gz	ARUHVLXFZXKGOT-UHFFFAOYSA-N	2	0	402.539	1.445	50	0		HDAARP
Cc1c(C(=O)NCCC[NH+]2CCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048233	558884606	/nfs/dbraw/zinc/88/46/06/558884606.db2.gz	LJQGZUNNWCMJQC-UHFFFAOYSA-N	2	0	402.568	1.967	50	0		HDAARP
C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](Cc4cccnc4N)CC3)OC2=O)C1	ZINC000072473819	558983493	/nfs/dbraw/zinc/98/34/93/558983493.db2.gz	VCIVRBLCYYQWFU-LJQANCHMSA-N	2	0	416.570	1.477	50	0		HDAARP
CC(C)[NH+]1CCN(CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)CC1	ZINC000072478309	558983860	/nfs/dbraw/zinc/98/38/60/558983860.db2.gz	QXIRYSWWWCZDHL-UHFFFAOYSA-N	2	0	408.587	1.868	50	0		HDAARP
CCC[NH+]1CCN(CCCNC(=O)C2=C(C)C(=O)OC23CC[NH+](CC)CC3)CC1	ZINC000020531762	568627642	/nfs/dbraw/zinc/62/76/42/568627642.db2.gz	YBZPTMUVRBCQRA-UHFFFAOYSA-N	2	0	406.571	1.248	50	0	biogenic	HDAARP
C[NH+]1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)CC1	ZINC000104405284	569008499	/nfs/dbraw/zinc/00/84/99/569008499.db2.gz	FHWOMFKNLHCRNF-HXUWFJFHSA-N	2	0	401.530	1.974	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3cscn3)c2)CC1	ZINC000023374367	558554079	/nfs/dbraw/zinc/55/40/79/558554079.db2.gz	NYTIOTNPDSUMIR-FQEVSTJZSA-N	2	0	404.580	1.853	50	0		HDAARP
COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC1CC[NH+](C(C)C)CC1)CC2	ZINC000095520582	559085067	/nfs/dbraw/zinc/08/50/67/559085067.db2.gz	FGGBJPQPIRBZKA-UHFFFAOYSA-N	2	0	403.571	1.852	50	0		HDAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1OC	ZINC000023374198	559173556	/nfs/dbraw/zinc/17/35/56/559173556.db2.gz	QQDKQTASQVNIAA-HXUWFJFHSA-N	3	0	408.587	1.114	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000015862688	569015943	/nfs/dbraw/zinc/01/59/43/569015943.db2.gz	MXPOOYKTZNKVKM-LJQANCHMSA-N	2	0	422.595	1.292	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1	ZINC000045966813	521653593	/nfs/dbraw/zinc/65/35/93/521653593.db2.gz	OWBWOUXLBDTOJZ-IBGZPJMESA-N	2	0	402.539	1.444	50	0		HDAARP
CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)cc1	ZINC000045944084	524010697	/nfs/dbraw/zinc/01/06/97/524010697.db2.gz	JYONKWNUMZFULX-UHFFFAOYSA-N	2	0	422.595	1.157	50	0		HDAARP
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)cc1	ZINC000045945303	525510941	/nfs/dbraw/zinc/51/09/41/525510941.db2.gz	HLXRYAYASGMTGF-UHFFFAOYSA-N	2	0	422.595	1.294	50	0		HDAARP
Cn1cnnc1SCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000012718903	558456248	/nfs/dbraw/zinc/45/62/48/558456248.db2.gz	IBHSJXBHXBXFDY-GOSISDBHSA-N	2	0	405.568	1.923	50	0		HDAARP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(C(=O)OC)cc1)CC2	ZINC000014741438	558666954	/nfs/dbraw/zinc/66/69/54/558666954.db2.gz	QJVMHWFCUUBOSU-UHFFFAOYSA-N	2	0	416.522	1.654	50	0		HDAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCn2cccn2)c1	ZINC000014951798	558681287	/nfs/dbraw/zinc/68/12/87/558681287.db2.gz	XCGCGXHUUSWROS-FQEVSTJZSA-N	2	0	418.538	1.268	50	0		HDAARP
CN1C(=O)N(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(=O)C12CCCCC2	ZINC000072277233	558703199	/nfs/dbraw/zinc/70/31/99/558703199.db2.gz	LHINAQXSUGNKAQ-UHFFFAOYSA-N	2	0	409.575	1.315	50	0		HDAARP
CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1	ZINC000035421571	558791095	/nfs/dbraw/zinc/79/10/95/558791095.db2.gz	WBVIYRCAWKRLQJ-UHFFFAOYSA-N	2	0	417.554	1.251	50	0		HDAARP
CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH+](CC)CC)C3=O)cc2)C1=O	ZINC000017166611	558824589	/nfs/dbraw/zinc/82/45/89/558824589.db2.gz	DCSAANTUNCFNMM-HDICACEKSA-N	2	0	414.506	1.634	50	0		HDAARP
CC[NH+]1CCN(CCNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1	ZINC000065256388	569208399	/nfs/dbraw/zinc/20/83/99/569208399.db2.gz	FVKRYIGDUSTYDH-QFIPXVFZSA-N	2	0	422.577	1.600	50	0		HDAARP
CC[NH+]1CCN(CCNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1	ZINC000065256389	569208408	/nfs/dbraw/zinc/20/84/08/569208408.db2.gz	FVKRYIGDUSTYDH-JOCHJYFZSA-N	2	0	422.577	1.600	50	0		HDAARP
Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)c(C)c1	ZINC000045974727	525510475	/nfs/dbraw/zinc/51/04/75/525510475.db2.gz	AOLJRXSICQOICW-UHFFFAOYSA-N	2	0	422.595	1.212	50	0		HDAARP
O=C(CCN(CCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1	ZINC000045945100	526474174	/nfs/dbraw/zinc/47/41/74/526474174.db2.gz	WYUQCKJGDCCUHH-UHFFFAOYSA-N	2	0	422.595	1.375	50	0		HDAARP
CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2	ZINC000020166175	558342796	/nfs/dbraw/zinc/34/27/96/558342796.db2.gz	UIXQXBINUCKKCD-SFHVURJKSA-N	2	0	417.598	1.823	50	0		HDAARP
COc1ccc(C[NH+](CCO)CCO)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012297607	558367648	/nfs/dbraw/zinc/36/76/48/558367648.db2.gz	IWEAHIKPGUDYLC-NRFANRHFSA-N	2	0	418.534	1.354	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3cccnc3)c2)CC1	ZINC000012318727	558381479	/nfs/dbraw/zinc/38/14/79/558381479.db2.gz	ASLJZVXOYKQVGJ-OAQYLSRUSA-N	2	0	413.518	1.996	50	0		HDAARP
COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012447349	558415007	/nfs/dbraw/zinc/41/50/07/558415007.db2.gz	FYEGWLCIVIPVAK-LJQANCHMSA-N	2	0	420.579	1.860	50	0		HDAARP
CCOCCC[NH2+]Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000020910573	558422060	/nfs/dbraw/zinc/42/20/60/558422060.db2.gz	KZUXDRHEGVQDLZ-FQEVSTJZSA-N	2	0	409.571	1.589	50	0		HDAARP
COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)cc1OC	ZINC000035421507	558791151	/nfs/dbraw/zinc/79/11/51/558791151.db2.gz	FVDZZZATJFMQDH-UHFFFAOYSA-N	2	0	418.538	1.064	50	0		HDAARP
COCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCCC3)c2)CC1	ZINC000019608551	558946801	/nfs/dbraw/zinc/94/68/01/558946801.db2.gz	IPZZZGWZCCWGFV-OAQYLSRUSA-N	2	0	421.582	1.685	50	0		HDAARP
O=C(CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)Nc1ccc(Cn2cncn2)cc1	ZINC000072402996	558957926	/nfs/dbraw/zinc/95/79/26/558957926.db2.gz	NSARVBMRWWFFTF-UHFFFAOYSA-N	2	0	411.554	1.368	50	0		HDAARP
C[NH+](C)CCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000082137187	559040263	/nfs/dbraw/zinc/04/02/63/559040263.db2.gz	VXFRNEUCWAOEPM-GOSISDBHSA-N	2	0	401.555	1.353	50	0		HDAARP
CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091321313	559071095	/nfs/dbraw/zinc/07/10/95/559071095.db2.gz	DRHJLCHJHJYBJR-NRFANRHFSA-N	2	0	412.578	1.583	50	0		HDAARP
C[NH+]1CCN(C[C@H](O)COc2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)CC1	ZINC000095521978	559085470	/nfs/dbraw/zinc/08/54/70/559085470.db2.gz	VPEQCTFMMPIUPR-QFIPXVFZSA-N	2	0	402.583	1.344	50	0		HDAARP
[NH3+]Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1	ZINC000299779226	568874998	/nfs/dbraw/zinc/87/49/98/568874998.db2.gz	KGNJVYXZZGHAMS-NRFANRHFSA-N	2	0	414.550	1.225	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(NC(C)=O)cc1	ZINC000015864135	569016350	/nfs/dbraw/zinc/01/63/50/569016350.db2.gz	MXAVENLRLIPHRM-FQEVSTJZSA-N	2	0	415.538	1.003	50	0		HDAARP
CCn1c2c(C(=O)NCC[NH+](C)C)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064835911	569104512	/nfs/dbraw/zinc/10/45/12/569104512.db2.gz	IXDQPANMPHUKDH-UHFFFAOYSA-N	2	0	422.533	1.366	50	0		HDAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1	ZINC000012073006	558318200	/nfs/dbraw/zinc/31/82/00/558318200.db2.gz	YCGJXKHJNYVKTH-QGZVFWFLSA-N	2	0	404.530	1.693	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCn3nc(C)cc3C)c2)CC1	ZINC000020783807	558413575	/nfs/dbraw/zinc/41/35/75/558413575.db2.gz	NQHPBQLKBHFGRF-QFIPXVFZSA-N	2	0	415.582	1.667	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCn3cccn3)c2)CC1	ZINC000022913466	558520588	/nfs/dbraw/zinc/52/05/88/558520588.db2.gz	MFYWIXZOYAFCQP-NRFANRHFSA-N	2	0	401.555	1.440	50	0		HDAARP
[NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3nc(-c4ccccc4)cs3)CN2C1=O	ZINC000014754435	558671497	/nfs/dbraw/zinc/67/14/97/558671497.db2.gz	VQZMEOSQAKCMRI-BQFCYCMXSA-N	2	0	413.547	1.497	50	0		HDAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CC2(O)CCCCC2)c1	ZINC000015066573	558709509	/nfs/dbraw/zinc/70/95/09/558709509.db2.gz	GUMOXUSRAUAGED-FQEVSTJZSA-N	2	0	422.566	1.676	50	0		HDAARP
Cn1nnnc1SCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000015074971	558715504	/nfs/dbraw/zinc/71/55/04/558715504.db2.gz	KMJFDDSNMIYJNA-QGZVFWFLSA-N	2	0	406.556	1.318	50	0		HDAARP
COc1cc(C[NH2+]Cc2cnn(C)c2C)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015076452	558716516	/nfs/dbraw/zinc/71/65/16/558716516.db2.gz	WRNGPSPCQBMGGN-LJQANCHMSA-N	2	0	420.579	1.815	50	0		HDAARP
C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)OC1=O	ZINC000077541004	559008978	/nfs/dbraw/zinc/00/89/78/559008978.db2.gz	KEJFBRPEWCKUIW-FQEVSTJZSA-N	2	0	414.550	1.726	50	0		HDAARP
C[NH+](C)CC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000095527486	559086209	/nfs/dbraw/zinc/08/62/09/559086209.db2.gz	KJXSJVWMRNOHCU-OAQYLSRUSA-N	2	0	400.567	1.958	50	0		HDAARP
C[NH+]1CCN(CCC[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000101814126	560802393	/nfs/dbraw/zinc/80/23/93/560802393.db2.gz	LSXVCRJOJJOTST-MRXNPFEDSA-N	2	0	409.328	1.308	50	0		HDAARP
Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[NH+]1CCCCC1	ZINC000085878922	569009775	/nfs/dbraw/zinc/00/97/75/569009775.db2.gz	RGBWMJSTQLDADF-MSOLQXFVSA-N	2	0	424.545	1.858	50	0	biogenic	HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCN3CCCCC3=O)c2)CC1	ZINC000019744806	569429442	/nfs/dbraw/zinc/42/94/42/569429442.db2.gz	WYPISUMKDNEBMU-OAQYLSRUSA-N	2	0	418.582	1.166	50	0		HDAARP
CCc1ccc(S(=O)(=O)N(CC[NH+](CC)CC)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000045974280	524011114	/nfs/dbraw/zinc/01/11/14/524011114.db2.gz	KUPPTCWVFRUVLX-UHFFFAOYSA-N	2	0	410.584	1.013	50	0		HDAARP
C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1	ZINC000045966915	526249669	/nfs/dbraw/zinc/24/96/69/526249669.db2.gz	PTEQJJBOAFDMDM-SFHVURJKSA-N	2	0	404.530	1.964	50	0		HDAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCSc2c[nH]nn2)cc1OC	ZINC000012303066	558372672	/nfs/dbraw/zinc/37/26/72/558372672.db2.gz	BCELKKXLIHUEOT-MRXNPFEDSA-N	2	0	409.556	1.777	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCCn1cncn1	ZINC000012457503	558417857	/nfs/dbraw/zinc/41/78/57/558417857.db2.gz	QIEHICOYSLJOML-OAQYLSRUSA-N	2	0	420.602	1.730	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CC(C)(C)OC)c2)CC1	ZINC000012580794	558432316	/nfs/dbraw/zinc/43/23/16/558432316.db2.gz	XLMBKKUTZSPHOD-LJQANCHMSA-N	2	0	408.539	1.826	50	0		HDAARP
COc1cc(C[NH2+]CCCn2cccn2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015068751	558711172	/nfs/dbraw/zinc/71/11/72/558711172.db2.gz	IVVMGUDHSZOIQE-LJQANCHMSA-N	2	0	420.579	1.860	50	0		HDAARP
CC[NH+](CC)Cc1cc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)ccc1OC	ZINC000019536102	558913745	/nfs/dbraw/zinc/91/37/45/558913745.db2.gz	MIQBHJJRQDLVFR-FGZHOGPDSA-N	2	0	405.583	1.929	50	0		HDAARP
COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011661787	559127027	/nfs/dbraw/zinc/12/70/27/559127027.db2.gz	YTXPIWVANMBZFR-HXUWFJFHSA-N	3	0	423.623	1.915	50	0		HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)CC1	ZINC000020235636	568595458	/nfs/dbraw/zinc/59/54/58/568595458.db2.gz	CPNYUVQSLHIHDT-JOCHJYFZSA-N	3	0	404.599	1.495	50	0		HDAARP
CC[NH+]1CCN(c2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)CC1	ZINC000021930125	568761573	/nfs/dbraw/zinc/76/15/73/568761573.db2.gz	XOZCBXYFYROCKO-UHFFFAOYSA-N	2	0	412.586	1.960	50	0		HDAARP
C[NH+]1CCN(CCNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1	ZINC000065256359	569208440	/nfs/dbraw/zinc/20/84/40/569208440.db2.gz	WCSDFYPXZWGBNT-NRFANRHFSA-N	2	0	408.550	1.210	50	0		HDAARP
O[C@H](C[NH2+]Cc1ccco1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccco2)cc1	ZINC000004200641	557528319	/nfs/dbraw/zinc/52/83/19/557528319.db2.gz	DEKFRJPLJRRDIF-HDICACEKSA-N	2	0	416.474	1.932	50	0		HDAARP
CCn1cc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCSCC3)c(OC)c2)cn1	ZINC000011813447	558277976	/nfs/dbraw/zinc/27/79/76/558277976.db2.gz	RHIFZISYZWLNNB-IBGZPJMESA-N	2	0	420.579	1.990	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@H+](C)C3CCOCC3)cc2OC)CC1	ZINC000020201580	558345543	/nfs/dbraw/zinc/34/55/43/558345543.db2.gz	OHTJXTAFGZMWAP-NRFANRHFSA-N	2	0	421.582	1.683	50	0		HDAARP
COc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)ccc1OC1CC[NH+](C)CC1	ZINC000012439225	558410819	/nfs/dbraw/zinc/41/08/19/558410819.db2.gz	XLFKKGHMTCMRBW-GOSISDBHSA-N	2	0	405.539	1.745	50	0		HDAARP
NC(=O)CCNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000012758723	558460710	/nfs/dbraw/zinc/46/07/10/558460710.db2.gz	AKTIDHYLMGQKHD-UHFFFAOYSA-N	2	0	400.567	1.787	50	0		HDAARP
COc1ccc(C[NH+]2CCC(CCO)CC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000023375372	558554894	/nfs/dbraw/zinc/55/48/94/558554894.db2.gz	NEMIYFIDGWWJDF-OAQYLSRUSA-N	2	0	421.582	1.277	50	0		HDAARP
Cc1c(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CCC(C)C)cnn1C	ZINC000014540367	558659620	/nfs/dbraw/zinc/65/96/20/558659620.db2.gz	CQMHCGQYPKQSLX-UHFFFAOYSA-N	2	0	418.586	1.935	50	0		HDAARP
COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000035422023	558791739	/nfs/dbraw/zinc/79/17/39/558791739.db2.gz	FRJHCIFVQOKSIF-IBGZPJMESA-N	2	0	416.566	1.834	50	0		HDAARP
COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)c1	ZINC000035422051	558791764	/nfs/dbraw/zinc/79/17/64/558791764.db2.gz	AKUWRUHXNAQJNZ-UHFFFAOYSA-N	2	0	402.539	1.445	50	0		HDAARP
COc1ccc(C[NH+]2CCC(OC)CC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000019226145	558852866	/nfs/dbraw/zinc/85/28/66/558852866.db2.gz	DCZKHBJIEBLRJJ-IBGZPJMESA-N	2	0	407.555	1.293	50	0		HDAARP
CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091321310	559071069	/nfs/dbraw/zinc/07/10/69/559071069.db2.gz	DRHJLCHJHJYBJR-OAQYLSRUSA-N	2	0	412.578	1.583	50	0		HDAARP
CN(C)C(=O)C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000095501437	559082449	/nfs/dbraw/zinc/08/24/49/559082449.db2.gz	FYJFNSUGGABDNW-OAQYLSRUSA-N	2	0	400.567	1.958	50	0		HDAARP
O[C@H](COc1ccccc1C[NH2+]CCN1CCC(O)CC1)C[NH+]1CCSCC1	ZINC000020999164	568453877	/nfs/dbraw/zinc/45/38/77/568453877.db2.gz	HMNJTSRVCNLZLB-FQEVSTJZSA-N	2	0	409.596	1.021	50	0		HDAARP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1	ZINC000225771680	568673295	/nfs/dbraw/zinc/67/32/95/568673295.db2.gz	DQVISVZOCKKQRM-DLBZAZTESA-N	2	0	412.575	1.900	50	0		HDAARP
C[NH+]1CCN(CCNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)CC1	ZINC000065255860	569208104	/nfs/dbraw/zinc/20/81/04/569208104.db2.gz	JWJSYHFKNAYQAF-NRFANRHFSA-N	2	0	408.550	1.210	50	0		HDAARP
Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CC[NH+](C2CCOCC2)CC1	ZINC000079487930	569432258	/nfs/dbraw/zinc/43/22/58/569432258.db2.gz	PWRJXTZNPWYFPM-UHFFFAOYSA-N	2	0	418.582	1.764	50	0		HDAARP
CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](CC)CC)cc1	ZINC000045966630	520891136	/nfs/dbraw/zinc/89/11/36/520891136.db2.gz	TVTUCWASTJNUIX-UHFFFAOYSA-N	2	0	404.555	1.691	50	0		HDAARP
CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCC[N@@H+]2CC)cc1	ZINC000045966770	520892129	/nfs/dbraw/zinc/89/21/29/520892129.db2.gz	MMULUXNCMKFDLO-HXUWFJFHSA-N	2	0	416.566	1.834	50	0		HDAARP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1	ZINC000225771639	521698255	/nfs/dbraw/zinc/69/82/55/521698255.db2.gz	DQVISVZOCKKQRM-IRXDYDNUSA-N	2	0	412.575	1.900	50	0		HDAARP
Cc1ccccc1S(=O)(=O)N(CCC[NH+]1CCCCC1)CC(=O)N1CC[NH2+]CC1	ZINC000045974721	525327565	/nfs/dbraw/zinc/32/75/65/525327565.db2.gz	NYDHDHYNXCEMNJ-UHFFFAOYSA-N	2	0	422.595	1.294	50	0		HDAARP
CCOC(=O)Cc1c(C)nc2ncnn2c1N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000022638112	557332193	/nfs/dbraw/zinc/33/21/93/557332193.db2.gz	CKODDEFBHNTRBV-UHFFFAOYSA-N	2	0	405.547	1.248	50	0		HDAARP
CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(C[C@H]2CCC[N@H+](C)C2)CC1	ZINC000022644127	557491077	/nfs/dbraw/zinc/49/10/77/557491077.db2.gz	HMPWOGVGDDCZIL-KRWDZBQOSA-N	2	0	415.542	1.002	50	0		HDAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCNC(=O)C1	ZINC000012048871	558313598	/nfs/dbraw/zinc/31/35/98/558313598.db2.gz	BMTCRXWSZOADEW-UHFFFAOYSA-N	2	0	412.578	1.754	50	0		HDAARP
COCC1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)CN3CC[NH+](C)CC3)c2)CC1	ZINC000022926242	558523221	/nfs/dbraw/zinc/52/32/21/558523221.db2.gz	HSTCEPYDGGAIEK-NRFANRHFSA-N	2	0	421.582	1.541	50	0		HDAARP
CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccc(O)cc2)C1	ZINC000023353400	558551046	/nfs/dbraw/zinc/55/10/46/558551046.db2.gz	ULKHKSNXZWXQPM-NHCUHLMSSA-N	2	0	402.583	1.850	50	0		HDAARP
C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1	ZINC000035422035	558791747	/nfs/dbraw/zinc/79/17/47/558791747.db2.gz	XHBBFESXQJUVGJ-SFHVURJKSA-N	2	0	404.530	1.964	50	0		HDAARP
C[NH+](C)[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1CCCO	ZINC000091636647	559072586	/nfs/dbraw/zinc/07/25/86/559072586.db2.gz	YLHHJADORGZJAI-YADHBBJMSA-N	2	0	402.583	1.599	50	0		HDAARP
CN(CCC(N)=O)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091713997	559073361	/nfs/dbraw/zinc/07/33/61/559073361.db2.gz	PZTBPAKTZKPNKB-FQEVSTJZSA-N	2	0	412.578	1.664	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000021926747	568761207	/nfs/dbraw/zinc/76/12/07/568761207.db2.gz	COKRUHBSLYDVTM-HNNXBMFYSA-N	2	0	402.568	1.966	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000021926741	568761236	/nfs/dbraw/zinc/76/12/36/568761236.db2.gz	COKRUHBSLYDVTM-OAHLLOKOSA-N	2	0	402.568	1.966	50	0		HDAARP
CCCC[N@@H+]1CCn2nc(CNC(=O)c3cn(C[C@@H]4CCC[NH2+]C4)nn3)cc2C1	ZINC000426369239	569072507	/nfs/dbraw/zinc/07/25/07/569072507.db2.gz	NQTILLBKYGBJEO-MRXNPFEDSA-N	2	0	400.531	1.020	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCN3CCCCC3=O)c2)CC1	ZINC000019744809	569429408	/nfs/dbraw/zinc/42/94/08/569429408.db2.gz	WYPISUMKDNEBMU-NRFANRHFSA-N	2	0	418.582	1.166	50	0		HDAARP
O[C@@H](COc1ccccc1C[NH2+]CCCN1CCOCC1)C[NH+]1CCSCC1	ZINC000012469902	1074174441	/nfs/dbraw/zinc/17/44/41/1074174441.db2.gz	VEZUTIPMOXXPSX-HXUWFJFHSA-N	2	0	409.596	1.287	50	0		HDAARP
Cc1nonc1OCC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012571368	1075590396	/nfs/dbraw/zinc/59/03/96/1075590396.db2.gz	AFUQFZQFJKSKGE-QGZVFWFLSA-N	2	0	408.524	1.335	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3cccnc3)c2)CC1	ZINC000012318731	558381369	/nfs/dbraw/zinc/38/13/69/558381369.db2.gz	ASLJZVXOYKQVGJ-NRFANRHFSA-N	2	0	413.518	1.996	50	0		HDAARP
COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012440266	558411505	/nfs/dbraw/zinc/41/15/05/558411505.db2.gz	APUWGMSPAQZAMR-NRFANRHFSA-N	2	0	415.534	1.793	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3CCOCC3)cc2)CC1	ZINC000014956839	558682681	/nfs/dbraw/zinc/68/26/81/558682681.db2.gz	CJAUIZPQWXTMEM-FQEVSTJZSA-N	2	0	406.523	1.580	50	0		HDAARP
Cc1ccc(C)c(C[NH+]2CCc3nnc(CCNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)c1	ZINC000014974069	558688673	/nfs/dbraw/zinc/68/86/73/558688673.db2.gz	CJYZVHICUZNKIG-FQEVSTJZSA-N	2	0	424.593	1.954	50	0		HDAARP
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC000071747160	558908633	/nfs/dbraw/zinc/90/86/33/558908633.db2.gz	WZZHHCUVNUVMNG-OAQYLSRUSA-N	2	0	420.598	1.423	50	0		HDAARP
CC(=O)NCC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012470481	1074176741	/nfs/dbraw/zinc/17/67/41/1074176741.db2.gz	SFUFKBRNLUWWNJ-UHFFFAOYSA-N	2	0	414.594	1.782	50	0		HDAARP
COc1ccc(C[NH2+]CCN2CCCCC2=O)cc1OC[C@H](O)C[NH+]1CCCC1	ZINC000012582298	1075801221	/nfs/dbraw/zinc/80/12/21/1075801221.db2.gz	IJTBQPZBVGBJMI-LJQANCHMSA-N	2	0	405.539	1.633	50	0		HDAARP
CC[NH+](CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH+](CC)CC)C3=O)cc2)C1=O	ZINC000000688210	557060070	/nfs/dbraw/zinc/06/00/70/557060070.db2.gz	DCSAANTUNCFNMM-ROUUACIJSA-N	2	0	414.506	1.634	50	0		HDAARP
COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011878884	558293362	/nfs/dbraw/zinc/29/33/62/558293362.db2.gz	LTIGOPURABHHAP-LJQANCHMSA-N	2	0	418.563	1.606	50	0		HDAARP
COc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011951635	558302983	/nfs/dbraw/zinc/30/29/83/558302983.db2.gz	LWHZROUNBNIXTM-GOSISDBHSA-N	2	0	423.579	1.181	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc[n+]([O-])cc1	ZINC000012073094	558318182	/nfs/dbraw/zinc/31/81/82/558318182.db2.gz	SLFOCQZQFDSCTM-OAQYLSRUSA-N	2	0	404.555	1.605	50	0		HDAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1	ZINC000012073009	558318241	/nfs/dbraw/zinc/31/82/41/558318241.db2.gz	YCGJXKHJNYVKTH-KRWDZBQOSA-N	2	0	404.530	1.693	50	0		HDAARP
CCOCCC[NH2+]Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000020910577	558421955	/nfs/dbraw/zinc/42/19/55/558421955.db2.gz	KZUXDRHEGVQDLZ-HXUWFJFHSA-N	2	0	409.571	1.589	50	0		HDAARP
C[NH+]1CCN(CCC[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000022972170	558528566	/nfs/dbraw/zinc/52/85/66/558528566.db2.gz	LSXVCRJOJJOTST-INIZCTEOSA-N	2	0	409.328	1.308	50	0		HDAARP
CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC000071747161	558908770	/nfs/dbraw/zinc/90/87/70/558908770.db2.gz	WZZHHCUVNUVMNG-NRFANRHFSA-N	2	0	420.598	1.423	50	0		HDAARP
CN(C)C(=O)C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000095501438	559082391	/nfs/dbraw/zinc/08/23/91/559082391.db2.gz	FYJFNSUGGABDNW-NRFANRHFSA-N	2	0	400.567	1.958	50	0		HDAARP
O[C@@H](COc1ccccc1C[NH2+]CCN1CCC(O)CC1)C[NH+]1CCSCC1	ZINC000020999165	568453928	/nfs/dbraw/zinc/45/39/28/568453928.db2.gz	HMNJTSRVCNLZLB-HXUWFJFHSA-N	2	0	409.596	1.021	50	0		HDAARP
COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011878883	558293324	/nfs/dbraw/zinc/29/33/24/558293324.db2.gz	LTIGOPURABHHAP-IBGZPJMESA-N	2	0	418.563	1.606	50	0		HDAARP
CC(C)[NH+]1CCC(NC(=O)c2cn(C)nc2C(=O)NC2CC[NH+](C(C)C)CC2)CC1	ZINC000020617099	558393521	/nfs/dbraw/zinc/39/35/21/558393521.db2.gz	KCOCWFADFKNREJ-UHFFFAOYSA-N	2	0	418.586	1.625	50	0		HDAARP
COc1ccc(C[N@H+](C)CCN2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000020916255	558422685	/nfs/dbraw/zinc/42/26/85/558422685.db2.gz	CARHYAINAUSIRO-OAQYLSRUSA-N	2	0	421.582	1.685	50	0		HDAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1	ZINC000014747664	558669745	/nfs/dbraw/zinc/66/97/45/558669745.db2.gz	JRBDMUUCAUENRN-DHIUTWEWSA-N	2	0	416.610	1.567	50	0		HDAARP
COc1cc(C[NH2+]CC2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000014969962	558687132	/nfs/dbraw/zinc/68/71/32/558687132.db2.gz	XERFEVBJPFQPJE-IBGZPJMESA-N	2	0	410.580	2.000	50	0		HDAARP
CCOc1ccc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000035422015	558791462	/nfs/dbraw/zinc/79/14/62/558791462.db2.gz	DKSBVLIFYNSOFJ-UHFFFAOYSA-N	2	0	416.566	1.835	50	0		HDAARP
C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1	ZINC000035422034	558791800	/nfs/dbraw/zinc/79/18/00/558791800.db2.gz	XHBBFESXQJUVGJ-GOSISDBHSA-N	2	0	404.530	1.964	50	0		HDAARP
NC(=O)C1([NH+]2CCCCC2)CCN(c2ncnc3sc4c(c32)CC[NH2+]C4)CC1	ZINC000065430860	558977562	/nfs/dbraw/zinc/97/75/62/558977562.db2.gz	CMCIFXLTERORAN-UHFFFAOYSA-N	2	0	400.552	1.647	50	0		HDAARP
Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000045945167	525510388	/nfs/dbraw/zinc/51/03/88/525510388.db2.gz	UZOKJDKJFGGFQM-UHFFFAOYSA-N	2	0	422.595	1.294	50	0		HDAARP
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CC[NH+](CC)CC3)C2=O)cc1	ZINC000023358740	558551505	/nfs/dbraw/zinc/55/15/05/558551505.db2.gz	BFXDZCXFQCKRLC-FQEVSTJZSA-N	2	0	402.539	1.725	50	0		HDAARP
CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cccc(OCC[NH+](C)C)c3)CN2C1=O	ZINC000014747980	558669752	/nfs/dbraw/zinc/66/97/52/558669752.db2.gz	YZDNKFUOXWJVBY-SXLOBPIMSA-N	2	0	402.539	1.231	50	0		HDAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCn2cccn2)c1	ZINC000014951802	558681241	/nfs/dbraw/zinc/68/12/41/558681241.db2.gz	XCGCGXHUUSWROS-HXUWFJFHSA-N	2	0	418.538	1.268	50	0		HDAARP
COc1cc(C[NH2+]Cc2cnn(C)c2C)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015076450	558716661	/nfs/dbraw/zinc/71/66/61/558716661.db2.gz	WRNGPSPCQBMGGN-IBGZPJMESA-N	2	0	420.579	1.815	50	0		HDAARP
COc1ccc(C(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1OC	ZINC000033032744	558857048	/nfs/dbraw/zinc/85/70/48/558857048.db2.gz	KCDXPPYCTWRGMX-UHFFFAOYSA-N	2	0	418.538	1.064	50	0		HDAARP
C[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000082120270	559039148	/nfs/dbraw/zinc/03/91/48/559039148.db2.gz	MOCUYHLCXYCBSW-FQEVSTJZSA-N	2	0	400.567	1.610	50	0		HDAARP
CNC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091829577	559073724	/nfs/dbraw/zinc/07/37/24/559073724.db2.gz	KPLVAKFLOSURBN-FQEVSTJZSA-N	2	0	412.578	1.535	50	0		HDAARP
Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CC[NH+](C2CCOCC2)CC1	ZINC000095476756	568630368	/nfs/dbraw/zinc/63/03/68/568630368.db2.gz	INIQCJGGMWEQHZ-UHFFFAOYSA-N	2	0	404.555	1.373	50	0		HDAARP
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]CCN3CCOCC3)s2)CC1	ZINC000020942859	568652866	/nfs/dbraw/zinc/65/28/66/568652866.db2.gz	VAIVKMJCKDESSL-UHFFFAOYSA-N	2	0	419.599	1.283	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(NC(C)=O)cc1	ZINC000015864134	569016319	/nfs/dbraw/zinc/01/63/19/569016319.db2.gz	MXAVENLRLIPHRM-HXUWFJFHSA-N	2	0	415.538	1.003	50	0		HDAARP
C[NH+]1CCN(CCCNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1	ZINC000065255992	569208265	/nfs/dbraw/zinc/20/82/65/569208265.db2.gz	MMYPJOVZDIZOGZ-JOCHJYFZSA-N	2	0	422.577	1.600	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1ccc(C)n1	ZINC000011843719	558288558	/nfs/dbraw/zinc/28/85/58/558288558.db2.gz	CMXLTXROVAQZLY-NRFANRHFSA-N	2	0	405.587	1.863	50	0		HDAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCSc2c[nH]nn2)cc1OC	ZINC000012303069	558372559	/nfs/dbraw/zinc/37/25/59/558372559.db2.gz	BCELKKXLIHUEOT-INIZCTEOSA-N	2	0	409.556	1.777	50	0		HDAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC2CCOCC2)c1	ZINC000012386900	558395897	/nfs/dbraw/zinc/39/58/97/558395897.db2.gz	WNMGAKKXUYICDC-OAQYLSRUSA-N	2	0	422.566	1.750	50	0		HDAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1OC	ZINC000012701666	558447682	/nfs/dbraw/zinc/44/76/82/558447682.db2.gz	HFTLXCBDSGGUAF-LJQANCHMSA-N	2	0	407.555	1.879	50	0		HDAARP
COc1cc(C[NH2+]CCCn2cccn2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000014975321	558689031	/nfs/dbraw/zinc/68/90/31/558689031.db2.gz	XGKUEZDAKQOQAY-HXUWFJFHSA-N	2	0	418.538	1.268	50	0		HDAARP
C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](Cc4cccnc4N)CC3)OC2=O)C1	ZINC000072473820	558983536	/nfs/dbraw/zinc/98/35/36/558983536.db2.gz	VCIVRBLCYYQWFU-IBGZPJMESA-N	2	0	416.570	1.477	50	0		HDAARP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1	ZINC000225771699	568673382	/nfs/dbraw/zinc/67/33/82/568673382.db2.gz	DQVISVZOCKKQRM-IAGOWNOFSA-N	2	0	412.575	1.900	50	0		HDAARP
Cn1ccnc1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1	ZINC000299756019	568872692	/nfs/dbraw/zinc/87/26/92/568872692.db2.gz	AMGMXHICCYIJJT-FQEVSTJZSA-N	2	0	416.497	1.873	50	0		HDAARP
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)cc1C	ZINC000035401354	569035503	/nfs/dbraw/zinc/03/55/03/569035503.db2.gz	HMAZOCONEAORAC-UHFFFAOYSA-N	2	0	422.595	1.212	50	0		HDAARP
Cc1cccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)c1	ZINC000045945224	524793118	/nfs/dbraw/zinc/79/31/18/524793118.db2.gz	BZHYUPGUIBOZFH-UHFFFAOYSA-N	2	0	422.595	1.294	50	0		HDAARP
Cc1ccccc1S(=O)(=O)N(CC[N@H+]1CCCC[C@@H]1C)CC(=O)N1CC[NH2+]CC1	ZINC000045974768	525328670	/nfs/dbraw/zinc/32/86/70/525328670.db2.gz	IQJPNGHQNPHHIF-IBGZPJMESA-N	2	0	422.595	1.292	50	0		HDAARP
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)c(C)c1	ZINC000045944077	525510752	/nfs/dbraw/zinc/51/07/52/525510752.db2.gz	YDUBHQHROSQZOM-UHFFFAOYSA-N	2	0	422.595	1.212	50	0		HDAARP
Cn1cnnc1SCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000012718902	558456188	/nfs/dbraw/zinc/45/61/88/558456188.db2.gz	IBHSJXBHXBXFDY-SFHVURJKSA-N	2	0	405.568	1.923	50	0		HDAARP
COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)ccc1OC1CC[NH+](C)CC1	ZINC000014968217	558686526	/nfs/dbraw/zinc/68/65/26/558686526.db2.gz	QUWDGQCQKOHJHK-SFHVURJKSA-N	2	0	405.539	1.745	50	0		HDAARP
Cn1nnnc1SCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000015074970	558715640	/nfs/dbraw/zinc/71/56/40/558715640.db2.gz	KMJFDDSNMIYJNA-KRWDZBQOSA-N	2	0	406.556	1.318	50	0		HDAARP
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1	ZINC000095444230	568611341	/nfs/dbraw/zinc/61/13/41/568611341.db2.gz	IQUDRKIGFYKIAA-UHFFFAOYSA-N	2	0	404.559	1.859	50	0		HDAARP
Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[NH+]1CCCC1	ZINC000085875187	569009454	/nfs/dbraw/zinc/00/94/54/569009454.db2.gz	DFVUKPFFMHXSSI-SJORKVTESA-N	2	0	410.518	1.468	50	0	biogenic	HDAARP
C[NH+]1CCN(CCCNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1	ZINC000065256325	569208363	/nfs/dbraw/zinc/20/83/63/569208363.db2.gz	FMKDLYIBJBHECE-QFIPXVFZSA-N	2	0	422.577	1.600	50	0		HDAARP
C[N@H+](CCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000020406388	558360204	/nfs/dbraw/zinc/36/02/04/558360204.db2.gz	VWOLCJHMZQKSQC-HXUWFJFHSA-N	2	0	409.596	1.239	50	0		HDAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCOC(C)C)c1	ZINC000012459556	558418764	/nfs/dbraw/zinc/41/87/64/558418764.db2.gz	QHWULONEBMNOIV-FQEVSTJZSA-N	2	0	410.555	1.796	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1nonc1C	ZINC000015074594	558715266	/nfs/dbraw/zinc/71/52/66/558715266.db2.gz	CHUIGBLOJYFQGV-LJQANCHMSA-N	2	0	407.559	1.592	50	0		HDAARP
O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1	ZINC000035422006	558791477	/nfs/dbraw/zinc/79/14/77/558791477.db2.gz	HANCRCPAIDGWSD-UHFFFAOYSA-N	2	0	404.530	1.966	50	0		HDAARP
CNc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc(C)[nH+]1	ZINC000071639508	558906062	/nfs/dbraw/zinc/90/60/62/558906062.db2.gz	XOKYTBSGDAVLGP-KRWDZBQOSA-N	2	0	402.543	1.366	50	0		HDAARP
CC(C)([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000082098543	559037830	/nfs/dbraw/zinc/03/78/30/559037830.db2.gz	AJLIWWZEWDIVFB-IBGZPJMESA-N	2	0	400.567	1.786	50	0		HDAARP
CC(C)([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000082098544	559037953	/nfs/dbraw/zinc/03/79/53/559037953.db2.gz	AJLIWWZEWDIVFB-LJQANCHMSA-N	2	0	400.567	1.786	50	0		HDAARP
O=C(C[NH+]1CCCC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000082106829	559038288	/nfs/dbraw/zinc/03/82/88/559038288.db2.gz	QNBJOTGOTLUNHV-LJQANCHMSA-N	2	0	413.566	1.497	50	0		HDAARP
CCOc1ccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000015864154	569016456	/nfs/dbraw/zinc/01/64/56/569016456.db2.gz	PUYFPYYCHVWXDF-LJQANCHMSA-N	2	0	416.566	1.834	50	0		HDAARP
COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000243957144	569055087	/nfs/dbraw/zinc/05/50/87/569055087.db2.gz	CGMZEBYHGDFWTD-GUDVDZBRSA-N	2	0	410.580	1.877	50	0		HDAARP
CCCC[N@@H+]1CCn2nc(CNC(=O)c3cn(C[C@H]4CCC[NH2+]C4)nn3)cc2C1	ZINC000426369234	569072510	/nfs/dbraw/zinc/07/25/10/569072510.db2.gz	NQTILLBKYGBJEO-INIZCTEOSA-N	2	0	400.531	1.020	50	0		HDAARP
Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	ZINC000012314029	558377540	/nfs/dbraw/zinc/37/75/40/558377540.db2.gz	DCAQWVJGDXHGNS-HXUWFJFHSA-N	2	0	414.594	1.905	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1nonc1C	ZINC000015074595	558715260	/nfs/dbraw/zinc/71/52/60/558715260.db2.gz	CHUIGBLOJYFQGV-IBGZPJMESA-N	2	0	407.559	1.592	50	0		HDAARP
COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)cc1	ZINC000035422048	558791684	/nfs/dbraw/zinc/79/16/84/558791684.db2.gz	AIGSOMFPTKTKBQ-LJQANCHMSA-N	2	0	416.566	1.834	50	0		HDAARP
COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)cc1	ZINC000035422065	558791756	/nfs/dbraw/zinc/79/17/56/558791756.db2.gz	TXPUIIDSJAISLT-UHFFFAOYSA-N	2	0	402.539	1.445	50	0		HDAARP
COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012703963	568917422	/nfs/dbraw/zinc/91/74/22/568917422.db2.gz	VAVXZHQCLVEELY-OAQYLSRUSA-N	2	0	419.566	1.975	50	0		HDAARP
CCOCC[NH+]1CCN(c2cc(N3CC[N@@H+](CCOCC)[C@H](C)C3)ncn2)C[C@H]1C	ZINC000252510851	569291690	/nfs/dbraw/zinc/29/16/90/569291690.db2.gz	CGPBELXXEAEBJR-WOJBJXKFSA-N	2	0	420.602	1.571	50	0		HDAARP
COc1ccc(C[NH2+]CCN2CCCCC2=O)cc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000012582292	1075801235	/nfs/dbraw/zinc/80/12/35/1075801235.db2.gz	IJTBQPZBVGBJMI-IBGZPJMESA-N	2	0	405.539	1.633	50	0		HDAARP
CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H]2CCC[N@H+]2CC)cc1	ZINC000045974521	524010682	/nfs/dbraw/zinc/01/06/82/524010682.db2.gz	LGXJDEXGQGKAGD-LJQANCHMSA-N	2	0	422.595	1.156	50	0		HDAARP
CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1	ZINC000022644123	557491136	/nfs/dbraw/zinc/49/11/36/557491136.db2.gz	HMPWOGVGDDCZIL-QGZVFWFLSA-N	2	0	415.542	1.002	50	0		HDAARP
CC(C)[NH+]1CCC(NC(=O)c2cc(C(=O)NC3CC[NH+](C(C)C)CC3)n(C)n2)CC1	ZINC000020617749	558393879	/nfs/dbraw/zinc/39/38/79/558393879.db2.gz	CXWLNQVASXJFEZ-UHFFFAOYSA-N	2	0	418.586	1.625	50	0		HDAARP
C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC000012581087	558432724	/nfs/dbraw/zinc/43/27/24/558432724.db2.gz	SUOLMFLLBNKZKC-NRFANRHFSA-N	2	0	420.598	1.423	50	0		HDAARP
C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1	ZINC000014531826	558656373	/nfs/dbraw/zinc/65/63/73/558656373.db2.gz	NBSUWWFCHMSBPN-FGZHOGPDSA-N	2	0	402.583	1.177	50	0		HDAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2	ZINC000014752577	558671032	/nfs/dbraw/zinc/67/10/32/558671032.db2.gz	APCJVEHVTCCUNQ-UHFFFAOYSA-N	2	0	404.559	1.627	50	0		HDAARP
COc1cc(C[NH2+]CCc2cn[nH]c2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015071877	558713260	/nfs/dbraw/zinc/71/32/60/558713260.db2.gz	XVPWSMMHYUFCDM-GOSISDBHSA-N	2	0	406.552	1.539	50	0		HDAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1OC	ZINC000023374200	559173550	/nfs/dbraw/zinc/17/35/50/559173550.db2.gz	QQDKQTASQVNIAA-FQEVSTJZSA-N	3	0	408.587	1.114	50	0		HDAARP
COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000015074832	568749443	/nfs/dbraw/zinc/74/94/43/568749443.db2.gz	GPDWLJTYVBFMGX-FQEVSTJZSA-N	2	0	407.555	1.927	50	0		HDAARP
C[NH+]1CCN(CCCNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1	ZINC000065256326	569208447	/nfs/dbraw/zinc/20/84/47/569208447.db2.gz	FMKDLYIBJBHECE-JOCHJYFZSA-N	2	0	422.577	1.600	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1	ZINC000045966774	521632756	/nfs/dbraw/zinc/63/27/56/521632756.db2.gz	ZANWKHRSJVFNMG-QGZVFWFLSA-N	2	0	408.493	1.713	50	0		HDAARP
CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]2CCC[N@H+]2CC)cc1	ZINC000045974519	524010470	/nfs/dbraw/zinc/01/04/70/524010470.db2.gz	LGXJDEXGQGKAGD-IBGZPJMESA-N	2	0	422.595	1.156	50	0		HDAARP
O[C@@H](C[NH2+]Cc1ccco1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccco2)cc1	ZINC000004200643	557528399	/nfs/dbraw/zinc/52/83/99/557528399.db2.gz	DEKFRJPLJRRDIF-ROUUACIJSA-N	2	0	416.474	1.932	50	0		HDAARP
COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012440268	558411512	/nfs/dbraw/zinc/41/15/12/558411512.db2.gz	APUWGMSPAQZAMR-OAQYLSRUSA-N	2	0	415.534	1.793	50	0		HDAARP
Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C	ZINC000014743216	558667810	/nfs/dbraw/zinc/66/78/10/558667810.db2.gz	ISWISNXAGQZASE-UHFFFAOYSA-N	2	0	418.586	1.935	50	0		HDAARP
COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000014960155	558683628	/nfs/dbraw/zinc/68/36/28/558683628.db2.gz	IBKLHRFDDRNLBG-SFHVURJKSA-N	2	0	406.552	1.507	50	0		HDAARP
COc1cc(C[NH2+]CCCn2cccn2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015068749	558711141	/nfs/dbraw/zinc/71/11/41/558711141.db2.gz	IVVMGUDHSZOIQE-IBGZPJMESA-N	2	0	420.579	1.860	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3cccnc3)cc2)CC1	ZINC000015076655	558716951	/nfs/dbraw/zinc/71/69/51/558716951.db2.gz	SBUQZSIYSHYMBP-OAQYLSRUSA-N	2	0	413.518	1.996	50	0		HDAARP
COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000019228293	558852912	/nfs/dbraw/zinc/85/29/12/558852912.db2.gz	CCQCMIDVKBOXHB-FQEVSTJZSA-N	2	0	403.567	1.961	50	0		HDAARP
COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000015074833	568749495	/nfs/dbraw/zinc/74/94/95/568749495.db2.gz	GPDWLJTYVBFMGX-HXUWFJFHSA-N	2	0	407.555	1.927	50	0		HDAARP
CCOc1ccc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000015864153	569016420	/nfs/dbraw/zinc/01/64/20/569016420.db2.gz	PUYFPYYCHVWXDF-IBGZPJMESA-N	2	0	416.566	1.834	50	0		HDAARP
COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000243957143	569055096	/nfs/dbraw/zinc/05/50/96/569055096.db2.gz	CGMZEBYHGDFWTD-FHWLQOOXSA-N	2	0	410.580	1.877	50	0		HDAARP
C[NH+]1CCN(CCNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)CC1	ZINC000065255861	569208023	/nfs/dbraw/zinc/20/80/23/569208023.db2.gz	JWJSYHFKNAYQAF-OAQYLSRUSA-N	2	0	408.550	1.210	50	0		HDAARP
O[C@H](COc1ccccc1C[NH2+]CCCN1CCOCC1)C[NH+]1CCSCC1	ZINC000012469906	1074174500	/nfs/dbraw/zinc/17/45/00/1074174500.db2.gz	VEZUTIPMOXXPSX-FQEVSTJZSA-N	2	0	409.596	1.287	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1	ZINC000045966758	521652950	/nfs/dbraw/zinc/65/29/50/521652950.db2.gz	JMLZVHOWFGWLTD-IBGZPJMESA-N	2	0	402.539	1.444	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C	ZINC000045974506	521653269	/nfs/dbraw/zinc/65/32/69/521653269.db2.gz	NUUVWUZQODAZTF-IBGZPJMESA-N	2	0	422.595	1.210	50	0		HDAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1OC	ZINC000012701672	558447719	/nfs/dbraw/zinc/44/77/19/558447719.db2.gz	HFTLXCBDSGGUAF-IBGZPJMESA-N	2	0	407.555	1.879	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc[n+]([O-])c1	ZINC000015072153	558713536	/nfs/dbraw/zinc/71/35/36/558713536.db2.gz	WMKAWLQDYDUZND-OAQYLSRUSA-N	2	0	404.555	1.605	50	0		HDAARP
COc1ccc(C[NH+]2CCC(OC)CC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000019226149	558852784	/nfs/dbraw/zinc/85/27/84/558852784.db2.gz	DCZKHBJIEBLRJJ-LJQANCHMSA-N	2	0	407.555	1.293	50	0		HDAARP
CNc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc(C)[nH+]1	ZINC000071639510	558906173	/nfs/dbraw/zinc/90/61/73/558906173.db2.gz	XOKYTBSGDAVLGP-QGZVFWFLSA-N	2	0	402.543	1.366	50	0		HDAARP
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CC[NH+](CC)CC3)C2=O)cc1	ZINC000100124011	559157304	/nfs/dbraw/zinc/15/73/04/559157304.db2.gz	SBTAXOZHZVWWOS-LJQANCHMSA-N	2	0	416.522	1.112	50	0		HDAARP
[NH3+]Cc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1	ZINC000299779235	568874956	/nfs/dbraw/zinc/87/49/56/568874956.db2.gz	KGNJVYXZZGHAMS-OAQYLSRUSA-N	2	0	414.550	1.225	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CC3(C)COC3)cc2)CC1	ZINC000011839426	558285991	/nfs/dbraw/zinc/28/59/91/558285991.db2.gz	IEWQTKPQBQXFDL-LJQANCHMSA-N	2	0	406.523	1.437	50	0		HDAARP
C[N@H+](CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000020406386	558360222	/nfs/dbraw/zinc/36/02/22/558360222.db2.gz	VWOLCJHMZQKSQC-FQEVSTJZSA-N	2	0	409.596	1.239	50	0		HDAARP
C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC000012581079	558432543	/nfs/dbraw/zinc/43/25/43/558432543.db2.gz	SUOLMFLLBNKZKC-OAQYLSRUSA-N	2	0	420.598	1.423	50	0		HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3cscn3)c2)CC1	ZINC000023374364	558553974	/nfs/dbraw/zinc/55/39/74/558553974.db2.gz	NYTIOTNPDSUMIR-HXUWFJFHSA-N	2	0	404.580	1.853	50	0		HDAARP
CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)cc1	ZINC000035422055	558791869	/nfs/dbraw/zinc/79/18/69/558791869.db2.gz	XTYIFPNBDYCYRB-UHFFFAOYSA-N	2	0	416.566	1.835	50	0		HDAARP
CC[N@H+](C)CC(=O)N1CCC([NH+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000082138572	559040635	/nfs/dbraw/zinc/04/06/35/559040635.db2.gz	MDRIIUBUGKPUCZ-SFHVURJKSA-N	2	0	401.555	1.353	50	0		HDAARP
O=C(N[C@@H]1CCNC1=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000082167060	559042190	/nfs/dbraw/zinc/04/21/90/559042190.db2.gz	AWQRSAZZSUJWBG-JOCHJYFZSA-N	2	0	412.578	1.800	50	0		HDAARP
C[NH+](C)CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000095527487	559086347	/nfs/dbraw/zinc/08/63/47/559086347.db2.gz	KJXSJVWMRNOHCU-NRFANRHFSA-N	2	0	400.567	1.958	50	0		HDAARP
CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H]([NH+](CC)CC)C3=O)cc2)C1=O	ZINC000101596751	559147386	/nfs/dbraw/zinc/14/73/86/559147386.db2.gz	DCSAANTUNCFNMM-QZTJIDSGSA-N	2	0	414.506	1.634	50	0		HDAARP
CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(C)c1	ZINC000045944183	520643603	/nfs/dbraw/zinc/64/36/03/520643603.db2.gz	SHOAHVMCUUCZAB-UHFFFAOYSA-N	2	0	424.611	1.458	50	0		HDAARP
CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](CC)CC)cc1	ZINC000045944190	524010818	/nfs/dbraw/zinc/01/08/18/524010818.db2.gz	URDRGOSQEQINDX-UHFFFAOYSA-N	2	0	424.611	1.403	50	0		HDAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CC2(O)CCCCC2)c1	ZINC000015066574	558709652	/nfs/dbraw/zinc/70/96/52/558709652.db2.gz	GUMOXUSRAUAGED-HXUWFJFHSA-N	2	0	422.566	1.676	50	0		HDAARP
O=C(C[NH+]1CCCC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000082106830	559038367	/nfs/dbraw/zinc/03/83/67/559038367.db2.gz	QNBJOTGOTLUNHV-IBGZPJMESA-N	2	0	413.566	1.497	50	0		HDAARP
CC(C)[N@H+](C)CC(=O)N1CCC([NH+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000082136953	559040248	/nfs/dbraw/zinc/04/02/48/559040248.db2.gz	NTTSFIPXKPZZBP-IBGZPJMESA-N	2	0	415.582	1.741	50	0		HDAARP
COc1ccc(C[NH2+]CCN2CCCC2=O)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012387079	568679928	/nfs/dbraw/zinc/67/99/28/568679928.db2.gz	UVAPOAWMXSRINA-LJQANCHMSA-N	2	0	405.539	1.633	50	0		HDAARP
CC[NH+]1CCN(c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)CC1	ZINC000021930057	568761629	/nfs/dbraw/zinc/76/16/29/568761629.db2.gz	ODUWPVFEBIBKLA-UHFFFAOYSA-N	2	0	420.565	1.827	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1	ZINC000015864141	569016314	/nfs/dbraw/zinc/01/63/14/569016314.db2.gz	QSCLQECXDRSLLH-FQEVSTJZSA-N	2	0	415.538	1.003	50	0		HDAARP
Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)c1	ZINC000035401499	569035360	/nfs/dbraw/zinc/03/53/60/569035360.db2.gz	KOBCLOZHJVKBAB-UHFFFAOYSA-N	2	0	422.595	1.294	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1	ZINC000045966811	521633071	/nfs/dbraw/zinc/63/30/71/521633071.db2.gz	OWBWOUXLBDTOJZ-LJQANCHMSA-N	2	0	402.539	1.444	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1	ZINC000045966776	521653733	/nfs/dbraw/zinc/65/37/33/521653733.db2.gz	ZANWKHRSJVFNMG-KRWDZBQOSA-N	2	0	408.493	1.713	50	0		HDAARP
COc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011951628	558303071	/nfs/dbraw/zinc/30/30/71/558303071.db2.gz	LWHZROUNBNIXTM-SFHVURJKSA-N	2	0	423.579	1.181	50	0		HDAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)Cn1cncn1	ZINC000012594213	558436799	/nfs/dbraw/zinc/43/67/99/558436799.db2.gz	ZVLACJDVNMWSNW-SFHVURJKSA-N	2	0	402.518	1.720	50	0		HDAARP
CCn1cc(C[NH2+]Cc2cccc(OC[C@@H](O)CN3CC[NH+](CC)CC3)c2)cn1	ZINC000022852426	558517289	/nfs/dbraw/zinc/51/72/89/558517289.db2.gz	NEURCJMYKUUHSS-NRFANRHFSA-N	2	0	401.555	1.570	50	0		HDAARP
C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](CCc2ccccc2)C1	ZINC000023352267	558550797	/nfs/dbraw/zinc/55/07/97/558550797.db2.gz	RPUZWQSJHMSHQN-DHIUTWEWSA-N	3	0	415.626	1.092	50	0		HDAARP
Cc1cc(C)cc(C[NH+]2CCc3nnc(CCNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)c1	ZINC000014881351	558676128	/nfs/dbraw/zinc/67/61/28/558676128.db2.gz	NSABDKKJEOAORU-NRFANRHFSA-N	2	0	424.593	1.954	50	0		HDAARP
COc1cc(C[NH2+]CC2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000014969968	558687096	/nfs/dbraw/zinc/68/70/96/558687096.db2.gz	XERFEVBJPFQPJE-LJQANCHMSA-N	2	0	410.580	2.000	50	0		HDAARP
CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC	ZINC000015069828	558711788	/nfs/dbraw/zinc/71/17/88/558711788.db2.gz	MSJKVNYYBULSIF-LJQANCHMSA-N	2	0	407.555	1.879	50	0		HDAARP
CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC	ZINC000015069830	558711845	/nfs/dbraw/zinc/71/18/45/558711845.db2.gz	MSJKVNYYBULSIF-IBGZPJMESA-N	2	0	407.555	1.879	50	0		HDAARP
Cc1c(C(=O)NCC[NH+]2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048304	558885186	/nfs/dbraw/zinc/88/51/86/558885186.db2.gz	OFDPKYHVCCVOBX-UHFFFAOYSA-N	2	0	402.568	1.967	50	0		HDAARP
O=C(C[NH+]1CCCC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1	ZINC000082161048	559041708	/nfs/dbraw/zinc/04/17/08/559041708.db2.gz	MPXISAKNMDWBAO-HXUWFJFHSA-N	2	0	413.566	1.497	50	0		HDAARP
CN(C)C(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091951080	559074833	/nfs/dbraw/zinc/07/48/33/559074833.db2.gz	PYJAXSHSLSFCGO-FQEVSTJZSA-N	2	0	412.578	1.535	50	0		HDAARP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cnc(N(C)C)nc1)C2	ZINC000095365222	559080057	/nfs/dbraw/zinc/08/00/57/559080057.db2.gz	CBILMBUCAXRVPU-SJBKTWHCSA-N	2	0	403.571	1.882	50	0		HDAARP
COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012703960	568917505	/nfs/dbraw/zinc/91/75/05/568917505.db2.gz	VAVXZHQCLVEELY-NRFANRHFSA-N	2	0	419.566	1.975	50	0		HDAARP
C[C@H](C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1	ZINC000253417675	569367218	/nfs/dbraw/zinc/36/72/18/569367218.db2.gz	DGRPRAHMKSLUCM-IAGOWNOFSA-N	2	0	412.600	1.577	50	0		HDAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC2CCOCC2)c1	ZINC000012386899	558395855	/nfs/dbraw/zinc/39/58/55/558395855.db2.gz	WNMGAKKXUYICDC-NRFANRHFSA-N	2	0	422.566	1.750	50	0		HDAARP
CCn1cc(C[NH2+]Cc2cccc(OC[C@H](O)CN3CC[NH+](CC)CC3)c2)cn1	ZINC000022852424	558517116	/nfs/dbraw/zinc/51/71/16/558517116.db2.gz	NEURCJMYKUUHSS-OAQYLSRUSA-N	2	0	401.555	1.570	50	0		HDAARP
C[NH+]1CCN(C[C@@H](O)COc2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)CC1	ZINC000095521979	559085403	/nfs/dbraw/zinc/08/54/03/559085403.db2.gz	VPEQCTFMMPIUPR-JOCHJYFZSA-N	2	0	402.583	1.344	50	0		HDAARP
COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011661788	559127042	/nfs/dbraw/zinc/12/70/42/559127042.db2.gz	YTXPIWVANMBZFR-FQEVSTJZSA-N	3	0	423.623	1.915	50	0		HDAARP
Cn1ccnc1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1	ZINC000299756021	568872591	/nfs/dbraw/zinc/87/25/91/568872591.db2.gz	AMGMXHICCYIJJT-HXUWFJFHSA-N	2	0	416.497	1.873	50	0		HDAARP
CNc1cc(C)[nH+]c(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1	ZINC000299763153	568873413	/nfs/dbraw/zinc/87/34/13/568873413.db2.gz	PGTIHBPSRSCLAD-SFHVURJKSA-N	2	0	402.543	1.588	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc[n+]([O-])cc1	ZINC000012073096	558318282	/nfs/dbraw/zinc/31/82/82/558318282.db2.gz	SLFOCQZQFDSCTM-NRFANRHFSA-N	2	0	404.555	1.605	50	0		HDAARP
CCOC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2OC[C@@H](O)C[NH+](C)C)CC1	ZINC000012195228	558349004	/nfs/dbraw/zinc/34/90/04/558349004.db2.gz	JMFCUISMMAIVRN-SFHVURJKSA-N	2	0	409.527	1.707	50	0		HDAARP
CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCN2CCC(O)CC2)ccc1OC	ZINC000020452699	558366834	/nfs/dbraw/zinc/36/68/34/558366834.db2.gz	NHJQOZOXBQJRPL-HXUWFJFHSA-N	2	0	409.571	1.323	50	0		HDAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2(C(N)=O)CC2)C1	ZINC000012299344	558369258	/nfs/dbraw/zinc/36/92/58/558369258.db2.gz	KCTYRIQXLCPHIC-GOSISDBHSA-N	2	0	416.566	1.563	50	0		HDAARP
COc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)ccc1OC1CC[NH+](C)CC1	ZINC000012439226	558410911	/nfs/dbraw/zinc/41/09/11/558410911.db2.gz	XLFKKGHMTCMRBW-SFHVURJKSA-N	2	0	405.539	1.745	50	0		HDAARP
CC[NH+]1CCN(Cc2ccc(OC[C@@H](O)CN3CC[NH+](CC)CC3)c(OC)c2)CC1	ZINC000020995304	558426595	/nfs/dbraw/zinc/42/65/95/558426595.db2.gz	NYWIWSCXULIQGV-NRFANRHFSA-N	2	0	420.598	1.210	50	0		HDAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)Cn1cncn1	ZINC000012594209	558436817	/nfs/dbraw/zinc/43/68/17/558436817.db2.gz	ZVLACJDVNMWSNW-GOSISDBHSA-N	2	0	402.518	1.720	50	0		HDAARP
COCC[N@H+](C)CCN1CC2(CCN(C(=O)C[NH+]3CCCCCC3)CC2)OC1=O	ZINC000077380038	559002979	/nfs/dbraw/zinc/00/29/79/559002979.db2.gz	UCOHDKAUFUAKRC-UHFFFAOYSA-N	2	0	410.559	1.254	50	0		HDAARP
O=C(C[NH+]1CCCC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1	ZINC000082161050	559041746	/nfs/dbraw/zinc/04/17/46/559041746.db2.gz	MPXISAKNMDWBAO-FQEVSTJZSA-N	2	0	413.566	1.497	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCC4(CCO4)CC3)c2)CC1	ZINC000095519616	559084896	/nfs/dbraw/zinc/08/48/96/559084896.db2.gz	WVVFJVRGIBQPPI-NRFANRHFSA-N	2	0	403.567	1.819	50	0		HDAARP
CC[N@H+](CCC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1)CC(C)C	ZINC000095459574	568619741	/nfs/dbraw/zinc/61/97/41/568619741.db2.gz	XADNMTLBTPAFNN-UHFFFAOYSA-N	2	0	418.586	1.514	50	0		HDAARP
CCOCC[NH+]1CCN(c2cc(N3CC[N@@H+](CCOCC)[C@@H](C)C3)ncn2)C[C@H]1C	ZINC000095974087	568672002	/nfs/dbraw/zinc/67/20/02/568672002.db2.gz	CGPBELXXEAEBJR-BGYRXZFFSA-N	2	0	420.602	1.571	50	0		HDAARP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1	ZINC000225771663	568672958	/nfs/dbraw/zinc/67/29/58/568672958.db2.gz	DQVISVZOCKKQRM-SJORKVTESA-N	2	0	412.575	1.900	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1	ZINC000045966756	521633592	/nfs/dbraw/zinc/63/35/92/521633592.db2.gz	JMLZVHOWFGWLTD-LJQANCHMSA-N	2	0	402.539	1.444	50	0		HDAARP
COCC1CC[NH+](Cc2ccc(OC)cc2OC[C@@H](O)CN2CC[NH+](C)CC2)CC1	ZINC000020537162	522935425	/nfs/dbraw/zinc/93/54/25/522935425.db2.gz	ALZMQQHPVFEAIT-NRFANRHFSA-N	2	0	421.582	1.541	50	0		HDAARP
COc1ccc(C[NH+](CCO)CCO)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012297608	558367592	/nfs/dbraw/zinc/36/75/92/558367592.db2.gz	IWEAHIKPGUDYLC-OAQYLSRUSA-N	2	0	418.534	1.354	50	0		HDAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2(C(N)=O)CC2)C1	ZINC000012299345	558369149	/nfs/dbraw/zinc/36/91/49/558369149.db2.gz	KCTYRIQXLCPHIC-SFHVURJKSA-N	2	0	416.566	1.563	50	0		HDAARP
CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000022581945	558499928	/nfs/dbraw/zinc/49/99/28/558499928.db2.gz	XCWLXRFMZJNTNF-QGZVFWFLSA-N	2	0	423.355	1.698	50	0		HDAARP
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@H+](Cc3ccc(O)cc3)C2)CC1	ZINC000023352402	558550814	/nfs/dbraw/zinc/55/08/14/558550814.db2.gz	KDCODICYOSUSBW-NHCUHLMSSA-N	2	0	400.567	1.700	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3cccnc3)cc2)CC1	ZINC000015076657	558716838	/nfs/dbraw/zinc/71/68/38/558716838.db2.gz	SBUQZSIYSHYMBP-NRFANRHFSA-N	2	0	413.518	1.996	50	0		HDAARP
CC(C)[NH+]1CCN(CCCN2CC3(CC[NH+](C4CC[NH2+]CC4)CC3)OC2=O)CC1	ZINC000072474304	558983749	/nfs/dbraw/zinc/98/37/49/558983749.db2.gz	FVVABAISGRWQFB-UHFFFAOYSA-N	3	0	407.603	1.441	50	0		HDAARP
C[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000082120271	559039233	/nfs/dbraw/zinc/03/92/33/559039233.db2.gz	MOCUYHLCXYCBSW-HXUWFJFHSA-N	2	0	400.567	1.610	50	0		HDAARP
C[NH+](C)CCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000082137183	559040227	/nfs/dbraw/zinc/04/02/27/559040227.db2.gz	VXFRNEUCWAOEPM-SFHVURJKSA-N	2	0	401.555	1.353	50	0		HDAARP
CCCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CC[NH+](CC)CC4)n3n2)CC1	ZINC000065311657	569221037	/nfs/dbraw/zinc/22/10/37/569221037.db2.gz	MYRJYFMAVLKBLN-UHFFFAOYSA-N	2	0	400.575	1.492	50	0		HDAARP
O=C(CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1	ZINC000045945186	526473923	/nfs/dbraw/zinc/47/39/23/526473923.db2.gz	MRMRMNCIDNATFJ-UHFFFAOYSA-N	2	0	414.597	1.047	50	0		HDAARP
CC[N@H+](CCn1cccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000011813800	558278161	/nfs/dbraw/zinc/27/81/61/558278161.db2.gz	CRGQTWBWYHQYAU-NRFANRHFSA-N	2	0	402.539	1.602	50	0		HDAARP
CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2	ZINC000020166177	558342806	/nfs/dbraw/zinc/34/28/06/558342806.db2.gz	UIXQXBINUCKKCD-GOSISDBHSA-N	2	0	417.598	1.823	50	0		HDAARP
COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000019228296	558852964	/nfs/dbraw/zinc/85/29/64/558852964.db2.gz	CCQCMIDVKBOXHB-HXUWFJFHSA-N	2	0	403.567	1.961	50	0		HDAARP
CNc1nc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc(C)[nH+]1	ZINC000299779893	568875026	/nfs/dbraw/zinc/87/50/26/568875026.db2.gz	SASKVWKPFAHYIV-GOSISDBHSA-N	2	0	402.543	1.588	50	0		HDAARP
Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC[NH+]1CCCCC1	ZINC000035401494	569035368	/nfs/dbraw/zinc/03/53/68/569035368.db2.gz	XUHBRBXCYLCTLA-UHFFFAOYSA-N	2	0	422.595	1.294	50	0		HDAARP
CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CC[NH+](CC)CC3)C2=O)cc1	ZINC000019848632	569431091	/nfs/dbraw/zinc/43/10/91/569431091.db2.gz	SBTAXOZHZVWWOS-IBGZPJMESA-N	2	0	416.522	1.112	50	0		HDAARP
O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1	ZINC000035422056	571316856	/nfs/dbraw/zinc/31/68/56/571316856.db2.gz	UPNOQMVCFUQRKX-UHFFFAOYSA-N	2	0	408.493	1.715	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3CCN(C)CC3)cc2)CC1	ZINC000012430170	1073941663	/nfs/dbraw/zinc/94/16/63/1073941663.db2.gz	GYMXGTHXGPBSFD-NRFANRHFSA-N	2	0	419.566	1.495	50	0		HDAARP
Cc1nonc1OCC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012571362	1075590371	/nfs/dbraw/zinc/59/03/71/1075590371.db2.gz	AFUQFZQFJKSKGE-KRWDZBQOSA-N	2	0	408.524	1.335	50	0		HDAARP
Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)c1	ZINC000045944075	524186712	/nfs/dbraw/zinc/18/67/12/524186712.db2.gz	UKEXEWPFOJKIIN-UHFFFAOYSA-N	2	0	422.595	1.212	50	0		HDAARP
CCOC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2OC[C@H](O)C[NH+](C)C)CC1	ZINC000012195233	558349093	/nfs/dbraw/zinc/34/90/93/558349093.db2.gz	JMFCUISMMAIVRN-GOSISDBHSA-N	2	0	409.527	1.707	50	0		HDAARP
Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	ZINC000012314028	558377505	/nfs/dbraw/zinc/37/75/05/558377505.db2.gz	DCAQWVJGDXHGNS-FQEVSTJZSA-N	2	0	414.594	1.905	50	0		HDAARP
COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012447346	558414800	/nfs/dbraw/zinc/41/48/00/558414800.db2.gz	FYEGWLCIVIPVAK-IBGZPJMESA-N	2	0	420.579	1.860	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCCn1cncn1	ZINC000012457506	558417750	/nfs/dbraw/zinc/41/77/50/558417750.db2.gz	QIEHICOYSLJOML-NRFANRHFSA-N	2	0	420.602	1.730	50	0		HDAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCn3cccn3)c2)CC1	ZINC000022913460	558520546	/nfs/dbraw/zinc/52/05/46/558520546.db2.gz	MFYWIXZOYAFCQP-OAQYLSRUSA-N	2	0	401.555	1.440	50	0		HDAARP
COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000014960159	558683659	/nfs/dbraw/zinc/68/36/59/558683659.db2.gz	IBKLHRFDDRNLBG-GOSISDBHSA-N	2	0	406.552	1.507	50	0		HDAARP
c1ccc(C[NH2+]Cc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2)nc1	ZINC000019361903	558876621	/nfs/dbraw/zinc/87/66/21/558876621.db2.gz	CWJJHESJXJQCJA-UHFFFAOYSA-N	3	0	410.610	1.736	50	0	in-vitro	HDAARP
CC[NH+]1CCN(CCC[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000101814152	560802350	/nfs/dbraw/zinc/80/23/50/560802350.db2.gz	XCWLXRFMZJNTNF-KRWDZBQOSA-N	2	0	423.355	1.698	50	0		HDAARP
O=C(CN(CCC[NH+]1CCCCC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1	ZINC000015864281	569016451	/nfs/dbraw/zinc/01/64/51/569016451.db2.gz	QZFKNQXEQSJPOM-UHFFFAOYSA-N	2	0	414.597	1.047	50	0		HDAARP
COCC1CC[NH+](Cc2ccc(OC)cc2OC[C@H](O)CN2CC[NH+](C)CC2)CC1	ZINC000020537164	522935760	/nfs/dbraw/zinc/93/57/60/522935760.db2.gz	ALZMQQHPVFEAIT-OAQYLSRUSA-N	2	0	421.582	1.541	50	0		HDAARP
O[C@H](C[NH2+]Cc1ccco1)COc1ccc(OC[C@H](O)C[NH2+]Cc2ccco2)cc1	ZINC000004200642	557528425	/nfs/dbraw/zinc/52/84/25/557528425.db2.gz	DEKFRJPLJRRDIF-QZTJIDSGSA-N	2	0	416.474	1.932	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CC3(C)COC3)cc2)CC1	ZINC000011839428	558285985	/nfs/dbraw/zinc/28/59/85/558285985.db2.gz	IEWQTKPQBQXFDL-IBGZPJMESA-N	2	0	406.523	1.437	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CC(C)(C)OC)c2)CC1	ZINC000012580802	558432367	/nfs/dbraw/zinc/43/23/67/558432367.db2.gz	XLMBKKUTZSPHOD-IBGZPJMESA-N	2	0	408.539	1.826	50	0		HDAARP
CCOC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CC)CC1	ZINC000014541619	558660198	/nfs/dbraw/zinc/66/01/98/558660198.db2.gz	OYXNXDMODARDLH-UHFFFAOYSA-N	2	0	423.558	1.288	50	0		HDAARP
COc1cc(C[NH2+]CCCn2cccn2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000014975318	558689070	/nfs/dbraw/zinc/68/90/70/558689070.db2.gz	XGKUEZDAKQOQAY-FQEVSTJZSA-N	2	0	418.538	1.268	50	0		HDAARP
COc1ccc(C[NH2+]CCCN2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCC1	ZINC000023367223	559173086	/nfs/dbraw/zinc/17/30/86/559173086.db2.gz	CQHSVXJXWIMGCV-HXUWFJFHSA-N	2	0	407.555	1.343	50	0		HDAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)CC1	ZINC000020235640	568595327	/nfs/dbraw/zinc/59/53/27/568595327.db2.gz	CPNYUVQSLHIHDT-QFIPXVFZSA-N	3	0	404.599	1.495	50	0		HDAARP
COc1ccc(C[NH2+]CCN2CCCC2=O)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012387078	568680046	/nfs/dbraw/zinc/68/00/46/568680046.db2.gz	UVAPOAWMXSRINA-IBGZPJMESA-N	2	0	405.539	1.633	50	0		HDAARP
Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2N1CC[NH+](C)CC1	ZINC000021929775	568761590	/nfs/dbraw/zinc/76/15/90/568761590.db2.gz	BGSMHPCCOSDEAL-UHFFFAOYSA-N	2	0	406.538	1.437	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000015862689	569015972	/nfs/dbraw/zinc/01/59/72/569015972.db2.gz	MXPOOYKTZNKVKM-IBGZPJMESA-N	2	0	422.595	1.292	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1	ZINC000015864140	569016330	/nfs/dbraw/zinc/01/63/30/569016330.db2.gz	QSCLQECXDRSLLH-HXUWFJFHSA-N	2	0	415.538	1.003	50	0		HDAARP
C[NH+]1CCN(CCNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1	ZINC000065256360	569208377	/nfs/dbraw/zinc/20/83/77/569208377.db2.gz	WCSDFYPXZWGBNT-OAQYLSRUSA-N	2	0	408.550	1.210	50	0		HDAARP
CC[NH+]1CCN(c2cc(C)nc3nc(CN4CC[NH+](CC(C)C)CC4)nn32)CC1	ZINC000065311658	569221044	/nfs/dbraw/zinc/22/10/44/569221044.db2.gz	ZEPKTYXIBKKUFC-UHFFFAOYSA-N	2	0	400.575	1.348	50	0		HDAARP
O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1	ZINC000045966905	526474716	/nfs/dbraw/zinc/47/47/16/526474716.db2.gz	QQSUIXOBGYCLDY-UHFFFAOYSA-N	2	0	404.530	1.966	50	0		HDAARP
CCn1cc(C[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCSCC3)c(OC)c2)cn1	ZINC000011813446	558277964	/nfs/dbraw/zinc/27/79/64/558277964.db2.gz	RHIFZISYZWLNNB-LJQANCHMSA-N	2	0	420.579	1.990	50	0		HDAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCOC(C)C)c1	ZINC000012459557	558418778	/nfs/dbraw/zinc/41/87/78/558418778.db2.gz	QHWULONEBMNOIV-HXUWFJFHSA-N	2	0	410.555	1.796	50	0		HDAARP
COc1ccc(C[NH+]2CCC(CCO)CC2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000023375370	558554843	/nfs/dbraw/zinc/55/48/43/558554843.db2.gz	NEMIYFIDGWWJDF-NRFANRHFSA-N	2	0	421.582	1.277	50	0		HDAARP
COc1cc(C[NH2+]CCc2cn[nH]c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015071875	558713194	/nfs/dbraw/zinc/71/31/94/558713194.db2.gz	XVPWSMMHYUFCDM-SFHVURJKSA-N	2	0	406.552	1.539	50	0		HDAARP
CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(NC(C)=O)cc1	ZINC000035421561	558791097	/nfs/dbraw/zinc/79/10/97/558791097.db2.gz	LJNKEUACAJURGA-UHFFFAOYSA-N	2	0	417.554	1.251	50	0		HDAARP
CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C	ZINC000045944176	520643931	/nfs/dbraw/zinc/64/39/31/520643931.db2.gz	PBNKDVKAMQJYEF-UHFFFAOYSA-N	2	0	424.611	1.458	50	0		HDAARP
CCc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000045974735	524010564	/nfs/dbraw/zinc/01/05/64/524010564.db2.gz	VLFRFGQBZUHXMI-UHFFFAOYSA-N	2	0	422.595	1.157	50	0		HDAARP
C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1	ZINC000045966913	524106368	/nfs/dbraw/zinc/10/63/68/524106368.db2.gz	PTEQJJBOAFDMDM-GOSISDBHSA-N	2	0	404.530	1.964	50	0		HDAARP
Cc1cc(C)cc(C[NH+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[N@@H+](C)C4)n3CC2)c1	ZINC000014881350	558676156	/nfs/dbraw/zinc/67/61/56/558676156.db2.gz	NSABDKKJEOAORU-OAQYLSRUSA-N	2	0	424.593	1.954	50	0		HDAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc[n+]([O-])c1	ZINC000015072155	558713459	/nfs/dbraw/zinc/71/34/59/558713459.db2.gz	WMKAWLQDYDUZND-NRFANRHFSA-N	2	0	404.555	1.605	50	0		HDAARP
COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3cccc4nonc43)CC2)OC1=O	ZINC000072429472	558979204	/nfs/dbraw/zinc/97/92/04/558979204.db2.gz	ATQYSHOWKBVKKE-UHFFFAOYSA-N	2	0	403.483	1.588	50	0		HDAARP
CNC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091829575	559073703	/nfs/dbraw/zinc/07/37/03/559073703.db2.gz	KPLVAKFLOSURBN-HXUWFJFHSA-N	2	0	412.578	1.535	50	0		HDAARP
COc1ccc(C[NH2+]CCCN2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000023367219	559173146	/nfs/dbraw/zinc/17/31/46/559173146.db2.gz	CQHSVXJXWIMGCV-FQEVSTJZSA-N	2	0	407.555	1.343	50	0		HDAARP
CC[NH+]1CCN(c2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)CC1	ZINC000021930140	568761600	/nfs/dbraw/zinc/76/16/00/568761600.db2.gz	XIUUVANQXABQRY-UHFFFAOYSA-N	2	0	412.586	1.960	50	0		HDAARP
CNc1cc(C)[nH+]c(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1	ZINC000299763149	568873356	/nfs/dbraw/zinc/87/33/56/568873356.db2.gz	PGTIHBPSRSCLAD-GOSISDBHSA-N	2	0	402.543	1.588	50	0		HDAARP
CNc1nc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc(C)[nH+]1	ZINC000299779901	568874904	/nfs/dbraw/zinc/87/49/04/568874904.db2.gz	SASKVWKPFAHYIV-SFHVURJKSA-N	2	0	402.543	1.588	50	0		HDAARP
C[NH+]1CCN(CCCNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1	ZINC000065255991	569207989	/nfs/dbraw/zinc/20/79/89/569207989.db2.gz	MMYPJOVZDIZOGZ-QFIPXVFZSA-N	2	0	422.577	1.600	50	0		HDAARP
C[C@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1	ZINC000253417684	569367280	/nfs/dbraw/zinc/36/72/80/569367280.db2.gz	DGRPRAHMKSLUCM-SJORKVTESA-N	2	0	412.600	1.577	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C	ZINC000045974500	521633281	/nfs/dbraw/zinc/63/32/81/521633281.db2.gz	DZHSXBUURHGDIE-LJQANCHMSA-N	2	0	422.595	1.210	50	0		HDAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1ccc(C)n1	ZINC000011843718	558288540	/nfs/dbraw/zinc/28/85/40/558288540.db2.gz	CMXLTXROVAQZLY-OAQYLSRUSA-N	2	0	405.587	1.863	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCSCC3)c2)CC1	ZINC000012304004	558373285	/nfs/dbraw/zinc/37/32/85/558373285.db2.gz	DVRQWYZQGATDCQ-LJQANCHMSA-N	2	0	408.564	1.860	50	0		HDAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCSCC3)c2)CC1	ZINC000012304005	558373400	/nfs/dbraw/zinc/37/34/00/558373400.db2.gz	DVRQWYZQGATDCQ-IBGZPJMESA-N	2	0	408.564	1.860	50	0		HDAARP
COc1ccc(C[N@H+](C)CCN2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000020916247	558422615	/nfs/dbraw/zinc/42/26/15/558422615.db2.gz	CARHYAINAUSIRO-NRFANRHFSA-N	2	0	421.582	1.685	50	0		HDAARP
COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)ccc1OC1CC[NH+](C)CC1	ZINC000014968213	558686560	/nfs/dbraw/zinc/68/65/60/558686560.db2.gz	QUWDGQCQKOHJHK-GOSISDBHSA-N	2	0	405.539	1.745	50	0		HDAARP
O=C(N[C@H]1CCNC1=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000082167066	559042132	/nfs/dbraw/zinc/04/21/32/559042132.db2.gz	AWQRSAZZSUJWBG-QFIPXVFZSA-N	2	0	412.578	1.800	50	0		HDAARP
CN(CCC(N)=O)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091713996	559073422	/nfs/dbraw/zinc/07/34/22/559073422.db2.gz	PZTBPAKTZKPNKB-HXUWFJFHSA-N	2	0	412.578	1.664	50	0		HDAARP
CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](C)C)cc1	ZINC000015862664	569015996	/nfs/dbraw/zinc/01/59/96/569015996.db2.gz	DSPSHNSQSYDUCY-UHFFFAOYSA-N	2	0	410.584	1.184	50	0		HDAARP
C[C@@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1	ZINC000253417678	569367275	/nfs/dbraw/zinc/36/72/75/569367275.db2.gz	DGRPRAHMKSLUCM-IRXDYDNUSA-N	2	0	412.600	1.577	50	0		HDAARP