smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@H](C[C@@H](OC(C)=O)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)OC(C)=O	ZINC000085596851	560063221	/nfs/dbraw/zinc/06/32/21/560063221.db2.gz	BRHVLGHXEJWAKD-RCZVLFRGSA-N	1	0	475.626	4.463	1	0	biogenic,in-vitro	JIAFRO
COc1cc(CCC(=O)[C@@H]2CC[C@@H]([C@H]3CC[C@H]4[C@H](C[NH2+][C@@H]5CC(=O)CC[C@@H]54)C3)C[C@H]2O)ccc1O	ZINC000085631294	560067967	/nfs/dbraw/zinc/06/79/67/560067967.db2.gz	FHDULQSBPPKQHM-DESDTBLVSA-N	1	0	483.649	4.053	1	0	biogenic,in-vitro	JIAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1	ZINC000000589075	562918057	/nfs/dbraw/zinc/91/80/57/562918057.db2.gz	MEIJADBULOETOV-QGZVFWFLSA-N	1	0	458.360	4.028	1	0	in-vivo	JIAFRO
C[N@H+](Cc1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCCn1ccnc1)C1CCCCC1	ZINC000003819924	562929233	/nfs/dbraw/zinc/92/92/33/562929233.db2.gz	KIRKAEODFOWBCH-UHFFFAOYSA-N	1	0	461.570	4.328	1	0		JIAFRO
CC[C@@H](c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000003819769	562929262	/nfs/dbraw/zinc/92/92/62/562929262.db2.gz	YKYLFOAUDQVKCU-QFIPXVFZSA-N	1	0	492.023	4.448	1	0		JIAFRO
COC(=O)/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[NH+]1CCCC1	ZINC000006010180	562936318	/nfs/dbraw/zinc/93/63/18/562936318.db2.gz	MGGNZLVJNLLKFH-FUCIWNSQSA-N	1	0	496.435	4.069	1	0		JIAFRO
O=C(Nc1ccc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1)[C@H]1C[NH+]2CCC1CC2	ZINC000006745739	562938424	/nfs/dbraw/zinc/93/84/24/562938424.db2.gz	QTXMZYJUSISXGH-VWLOTQADSA-N	1	0	461.587	4.435	1	0		JIAFRO
COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCC[N@@H+]1CCCC[C@@H]1C	ZINC000008017459	562938506	/nfs/dbraw/zinc/93/85/06/562938506.db2.gz	ABMJYLFGDCMIQT-NRFANRHFSA-N	1	0	480.657	4.165	1	0		JIAFRO
COc1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2OC)[C@@H]3O)c1	ZINC000011973506	562958069	/nfs/dbraw/zinc/95/80/69/562958069.db2.gz	FAUCZZYDOFESFI-SXOMAYOGSA-N	1	0	472.585	4.083	1	0		JIAFRO
NC(=[NH2+])c1cccc(Oc2ccccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1	ZINC000013442934	562963742	/nfs/dbraw/zinc/96/37/42/562963742.db2.gz	FUKVFZYOSCTXRM-UHFFFAOYSA-N	1	0	486.553	4.330	1	0		JIAFRO
O=c1ccc(-n2cnc3ccccc32)nn1CCCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000013475436	562966963	/nfs/dbraw/zinc/96/69/63/562966963.db2.gz	IABRLDFASHDXTK-UHFFFAOYSA-N	1	0	477.012	4.228	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCC(=O)N[C@H]2CCCc3cccc(OC)c32)CC1	ZINC000013586526	562976578	/nfs/dbraw/zinc/97/65/78/562976578.db2.gz	BUMLEIQSRWKWTF-QFIPXVFZSA-N	1	0	451.611	4.190	1	0		JIAFRO
C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(I)cc3)cc12	ZINC000013607572	562978954	/nfs/dbraw/zinc/97/89/54/562978954.db2.gz	AEMDBHPCLNORNP-QGZVFWFLSA-N	1	0	495.386	4.210	1	0		JIAFRO
Cc1cc(OCc2ccccc2)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1	ZINC000013735522	562985830	/nfs/dbraw/zinc/98/58/30/562985830.db2.gz	HHZRNSOFHQWYGW-LXFBAYGMSA-N	1	0	487.644	4.006	1	0		JIAFRO
COc1cccc2c1C[C@]1(CCCC[N@@H+]1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2	ZINC000013759917	562989379	/nfs/dbraw/zinc/98/93/79/562989379.db2.gz	OEQUHNCHYOZDKW-HHHXNRCGSA-N	1	0	454.611	4.344	1	0		JIAFRO
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1cccc(C)c1	ZINC000013777680	562991136	/nfs/dbraw/zinc/99/11/36/562991136.db2.gz	CXMYVFCHMOZRRY-LJAHQNNKSA-N	1	0	455.558	4.123	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)ccc4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013800199	562993756	/nfs/dbraw/zinc/99/37/56/562993756.db2.gz	PISLVZAGNHHXMO-FQYQUSJJSA-N	1	0	452.554	4.153	1	0		JIAFRO
COc1ccccc1CC(=O)N(C)C[C@@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1	ZINC000013835158	563001320	/nfs/dbraw/zinc/00/13/20/563001320.db2.gz	APNBVGOWKCRABK-VWLOTQADSA-N	1	0	493.648	4.116	1	0		JIAFRO
C[NH+](C)CCCOC(=O)/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1	ZINC000013861828	563002673	/nfs/dbraw/zinc/00/26/73/563002673.db2.gz	BBIKEXVBWCYZFP-MDZDMXLPSA-N	1	0	498.381	4.126	1	0		JIAFRO
CN1CC[NH+](CCCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1	ZINC000021289547	563016646	/nfs/dbraw/zinc/01/66/46/563016646.db2.gz	NMLMUNQQEDDASM-UHFFFAOYSA-N	1	0	489.451	4.132	1	0		JIAFRO
O[C@@H](COc1cccc2ncccc21)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000022934433	563018923	/nfs/dbraw/zinc/01/89/23/563018923.db2.gz	LISSSJUGZCLIKR-OAQYLSRUSA-N	1	0	451.570	4.362	1	0		JIAFRO
CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)C[C@@H]1COc2cccc(OC)c2C1	ZINC000026015477	563021786	/nfs/dbraw/zinc/02/17/86/563021786.db2.gz	PXTNZNWAFOHMBS-OAQYLSRUSA-N	1	0	456.627	4.448	1	0		JIAFRO
c1ccc(CC[NH2+]Cc2cccc(COc3nn4c(nnc4C4CC4)c4ccccc43)n2)cc1	ZINC000026501424	563029118	/nfs/dbraw/zinc/02/91/18/563029118.db2.gz	DNSRWZBFBUGUMA-UHFFFAOYSA-N	1	0	450.546	4.461	1	0		JIAFRO
COc1ccc(Oc2ccccc2)cc1C(=O)CCCC[NH+]1CCC2(CC1)NC(=O)NC2=O	ZINC000026580250	563031402	/nfs/dbraw/zinc/03/14/02/563031402.db2.gz	YIWWUAJBMCCROV-UHFFFAOYSA-N	1	0	451.523	4.355	1	0		JIAFRO
O=C1NCCN1CCC[NH+]1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1	ZINC000026667172	563033019	/nfs/dbraw/zinc/03/30/19/563033019.db2.gz	VAEVQHTXJSLDAA-VWNXMTODSA-N	1	0	456.993	4.089	1	0		JIAFRO
CCCn1c2ccccc2c2c1[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000028013818	563054962	/nfs/dbraw/zinc/05/49/62/563054962.db2.gz	BAAJOVWJVHHJDR-FQYQUSJJSA-N	1	0	456.586	4.456	1	0		JIAFRO
[NH3+][C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CS2)c1ccccc1	ZINC000028118711	563056792	/nfs/dbraw/zinc/05/67/92/563056792.db2.gz	IVIDZBGALXXDPN-VXKWHMMOSA-N	1	0	459.546	4.211	1	0		JIAFRO
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)C(=O)C1	ZINC000028870409	563084157	/nfs/dbraw/zinc/08/41/57/563084157.db2.gz	MKWUDYWAMXYKAO-UHFFFAOYSA-N	1	0	483.559	4.240	1	0		JIAFRO
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCC[NH+]3CCCCCC3)cc2)C(=O)C1	ZINC000028870281	563084161	/nfs/dbraw/zinc/08/41/61/563084161.db2.gz	RNIOUTCALHJWTF-UHFFFAOYSA-N	1	0	471.548	4.099	1	0		JIAFRO
CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000028895385	563085699	/nfs/dbraw/zinc/08/56/99/563085699.db2.gz	CUYJDHLGVFOIFR-MHZLTWQESA-N	1	0	491.657	4.116	1	0		JIAFRO
O=C1NC(=Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1	ZINC000028899288	563085920	/nfs/dbraw/zinc/08/59/20/563085920.db2.gz	JTZCFBVAMKVSBV-TYGBLEFESA-N	1	0	455.514	4.143	1	0		JIAFRO
CCc1cc(NC(=O)N[C@H](C)CC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1	ZINC000029129200	563096700	/nfs/dbraw/zinc/09/67/00/563096700.db2.gz	IQUQYZRIYXKKDB-KNQAVFIVSA-N	1	0	493.631	4.433	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@H]1c1cccc(C(F)(F)F)c1Cl	ZINC000029410095	563103212	/nfs/dbraw/zinc/10/32/12/563103212.db2.gz	YMFKIESLDFPEBQ-HNOLQLOCSA-N	1	0	476.879	4.125	1	0		JIAFRO
Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)c4ccc(C[NH3+])cc4)nc3Cl)ccc12	ZINC000034608070	563114073	/nfs/dbraw/zinc/11/40/73/563114073.db2.gz	QEAGMDVPYSGGAS-NRFANRHFSA-N	1	0	485.979	4.361	1	0		JIAFRO
O=C1NCCc2cc(F)c3c(c21)C[C@H]([N@H+](CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3	ZINC000034841911	563116864	/nfs/dbraw/zinc/11/68/64/563116864.db2.gz	SBPGNMNSCJJZOE-FQEVSTJZSA-N	1	0	465.544	4.380	1	0		JIAFRO
C[C@@H](C(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1	ZINC000034849862	563116893	/nfs/dbraw/zinc/11/68/93/563116893.db2.gz	DSMHXHKJIOOKIY-QHAWAJNXSA-N	1	0	452.618	4.215	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C(C)(C)C(F)F)c2)CC1	ZINC000034947294	563117687	/nfs/dbraw/zinc/11/76/87/563117687.db2.gz	SXBWNENFIQGMLK-FCHUYYIVSA-N	1	0	466.519	4.195	1	0		JIAFRO
C[NH+](C)CCNC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1	ZINC000035323280	563120075	/nfs/dbraw/zinc/12/00/75/563120075.db2.gz	SYDMGMUJOKSGPN-UHFFFAOYSA-N	1	0	491.632	4.169	1	0		JIAFRO
[NH2+]=C1N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12	ZINC000035998746	563121813	/nfs/dbraw/zinc/12/18/13/563121813.db2.gz	OPSMDCTXTURNQW-HSZRJFAPSA-N	1	0	469.442	4.462	1	0		JIAFRO
O=c1nc(NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1CC(F)(F)F	ZINC000036126655	563122533	/nfs/dbraw/zinc/12/25/33/563122533.db2.gz	AIVCREQIHBXHNV-UHFFFAOYSA-N	1	0	494.901	4.417	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCOc2ccc(CC(C)(C)C)cc21	ZINC000036412525	563129988	/nfs/dbraw/zinc/12/99/88/563129988.db2.gz	KMIKROBPWQWAAP-KMDXXIMOSA-N	1	0	460.565	4.075	1	0		JIAFRO
COc1ccc(CC[N@H+](C)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC	ZINC000038143413	563131645	/nfs/dbraw/zinc/13/16/45/563131645.db2.gz	SQDWWHCSJBNTLV-QYVZARNFSA-N	1	0	496.607	4.070	1	0		JIAFRO
CCN1CCS/C1=C/C=c1\s/c(=C/c2sc3c(ccc4ccccc34)[n+]2CC)n(CC)c1=O	ZINC000038146393	563131731	/nfs/dbraw/zinc/13/17/31/563131731.db2.gz	IFDDSYVGRYOOAU-JZTLMNBPSA-N	1	0	494.731	4.124	1	0		JIAFRO
CC[NH+]1CCN(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CC1	ZINC000040430181	563143570	/nfs/dbraw/zinc/14/35/70/563143570.db2.gz	TYUJFICSPZLWGO-UHFFFAOYSA-N	1	0	457.574	4.150	1	0		JIAFRO
C[C@H](Nc1c(-c2c(F)ccc(OCCC[NH+](C)C)c2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000040752794	563147621	/nfs/dbraw/zinc/14/76/21/563147621.db2.gz	GXPIFHVEFPCZPS-JTQLQIEISA-N	1	0	478.853	4.416	1	0		JIAFRO
Cn1c2cccc(N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)c2nc1C(F)(F)F	ZINC000040846139	563149292	/nfs/dbraw/zinc/14/92/92/563149292.db2.gz	BAGWMFYSLXDFTB-UHFFFAOYSA-N	1	0	476.528	4.332	1	0		JIAFRO
CCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)c1c[n+](CC)ccc1n2CC	ZINC000040875411	563152246	/nfs/dbraw/zinc/15/22/46/563152246.db2.gz	CEBIKPSRRIJTDM-UHFFFAOYSA-N	1	0	498.625	4.363	1	0		JIAFRO
O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCN(c4ccccc4)CC3)cc2o1	ZINC000040918200	563156057	/nfs/dbraw/zinc/15/60/57/563156057.db2.gz	WMIUFZFZPDMQDX-HSZRJFAPSA-N	1	0	456.542	4.022	1	0		JIAFRO
COc1cc2c(cc1OCC[NH+]1CCCC1)ncc(C(N)=O)c2Nc1ccc(F)c(Cl)c1	ZINC000040933471	563156820	/nfs/dbraw/zinc/15/68/20/563156820.db2.gz	SMBVPEJHNHXILB-UHFFFAOYSA-N	1	0	458.921	4.353	1	0		JIAFRO
O=C(N[C@@H](CO)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043065850	563165981	/nfs/dbraw/zinc/16/59/81/563165981.db2.gz	SABBBCPABFDZNM-DEOSSOPVSA-N	1	0	486.538	4.493	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4ccc5cc(C)[nH]c5c4)CC3)c2c1	ZINC000045167743	563173338	/nfs/dbraw/zinc/17/33/38/563173338.db2.gz	DTHXYJAXYQVMEO-GNMASIKHSA-N	1	0	484.600	4.361	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1	ZINC000045186768	563174166	/nfs/dbraw/zinc/17/41/66/563174166.db2.gz	UTJSLGBUVHIXFL-UHFFFAOYSA-N	1	0	450.546	4.150	1	0		JIAFRO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]CCNC(=O)c5ccnn5C)c4)cc3)nc21	ZINC000045189107	563175035	/nfs/dbraw/zinc/17/50/35/563175035.db2.gz	RMVHAITXANKGAU-UHFFFAOYSA-N	1	0	464.573	4.458	1	0		JIAFRO
Cc1cccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]CCNC(=O)c5ccnn5C)c4)c3)nc21	ZINC000045229797	563180939	/nfs/dbraw/zinc/18/09/39/563180939.db2.gz	BQXIEUIKENESCM-UHFFFAOYSA-N	1	0	464.573	4.458	1	0		JIAFRO
[NH2+]=C1N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(Br)c2)C2=NCCCN12	ZINC000045245995	563181859	/nfs/dbraw/zinc/18/18/59/563181859.db2.gz	RNTPFGORJAAXJQ-SFHVURJKSA-N	1	0	453.262	4.024	1	0		JIAFRO
Cc1ccc(Cn2nc(N3CC[NH2+]CC3)ccc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000045302085	563186026	/nfs/dbraw/zinc/18/60/26/563186026.db2.gz	NCRVICSRSJFNKB-UHFFFAOYSA-N	1	0	494.599	4.321	1	0		JIAFRO
CCCNc1ccc2nccc(CCN3CCC([NH2+]Cc4ccc5c(c4)NC(=O)CS5)CC3)c2n1	ZINC000045334674	563189642	/nfs/dbraw/zinc/18/96/42/563189642.db2.gz	ROICBOHUJVGVEE-UHFFFAOYSA-N	1	0	490.677	4.293	1	0		JIAFRO
C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCc2ccccc2)c(NC2CCCC2)n1	ZINC000045368850	563193506	/nfs/dbraw/zinc/19/35/06/563193506.db2.gz	SCLSFPNHIFVIDL-HXUWFJFHSA-N	1	0	450.631	4.438	1	0		JIAFRO
O=C(Nc1cccc(-c2ccnc3cc(N4CC[NH2+]CC4)nn32)c1)c1cccc(C(F)(F)F)c1	ZINC000049072778	563201518	/nfs/dbraw/zinc/20/15/18/563201518.db2.gz	BYYUAHCUHJMTHJ-UHFFFAOYSA-N	1	0	466.467	4.077	1	0		JIAFRO
CN(C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049793500	563203977	/nfs/dbraw/zinc/20/39/77/563203977.db2.gz	ROKYRPTZROQHPQ-AREMUKBSSA-N	1	0	489.641	4.199	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Br)cc3)C2)n1C	ZINC000058538237	563206977	/nfs/dbraw/zinc/20/69/77/563206977.db2.gz	TXPWWEBUZHUGQI-IERDGZPVSA-N	1	0	474.428	4.297	1	0		JIAFRO
c1ccc(Oc2ncccc2COCC[N@@H+]2CCCN(C[C@H]3COc4ccccc4O3)CC2)cc1	ZINC000058547124	563207265	/nfs/dbraw/zinc/20/72/65/563207265.db2.gz	AFRRMVBYOMNLHN-VWLOTQADSA-N	1	0	475.589	4.238	1	0		JIAFRO
COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Br)cc2)CC[C@@H]([NH+](C)C)C1	ZINC000060325917	563209478	/nfs/dbraw/zinc/20/94/78/563209478.db2.gz	JDJZZFHUUVRNHZ-OAHLLOKOSA-N	1	0	463.397	4.068	1	0		JIAFRO
C[NH2+]CO[C@H](CCCO)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1	ZINC000085597460	560063108	/nfs/dbraw/zinc/06/31/08/560063108.db2.gz	JFEQRSFBTHKCOZ-XMMPIXPASA-N	1	0	467.562	4.153	1	0	biogenic,in-vitro	JIAFRO
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c43)CC2)cc1N1CC[NH+](C)CC1	ZINC000000587810	562918059	/nfs/dbraw/zinc/91/80/59/562918059.db2.gz	GFTOBRDTIUVBRH-UHFFFAOYSA-N	1	0	465.573	4.479	1	0		JIAFRO
CCOc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1	ZINC000003440194	562927106	/nfs/dbraw/zinc/92/71/06/562927106.db2.gz	UOKIJOWYTBNPIM-NRFANRHFSA-N	1	0	458.002	4.472	1	0		JIAFRO
CC[C@@H](O)[C@H]1C[C@@H](Cc2ccccc2)CC[N@@H+]1CCCNC(=O)Nc1cccc(C(C)=O)c1	ZINC000013443660	562963854	/nfs/dbraw/zinc/96/38/54/562963854.db2.gz	UEKNCACYTQCRSI-DNRSQYFGSA-N	1	0	451.611	4.495	1	0		JIAFRO
CCOC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C	ZINC000013533224	562972365	/nfs/dbraw/zinc/97/23/65/562972365.db2.gz	WIQOFQRWRAGRSV-DEOSSOPVSA-N	1	0	480.634	4.090	1	0		JIAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1	ZINC000013537947	562972864	/nfs/dbraw/zinc/97/28/64/562972864.db2.gz	JUCGBCAPXDBWDV-MRXNPFEDSA-N	1	0	458.360	4.028	1	0		JIAFRO
CC(C)(/C=C/I)[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21	ZINC000013604381	562978621	/nfs/dbraw/zinc/97/86/21/562978621.db2.gz	QIMLZCVAUNUVMI-VNDWYCCKSA-N	1	0	450.320	4.378	1	0		JIAFRO
COc1cc(OC)c([C@H](CC[NH+]2CCCC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12	ZINC000013661200	562982271	/nfs/dbraw/zinc/98/22/71/562982271.db2.gz	NDXYJOLKUBRFEL-GOSISDBHSA-N	1	0	483.561	4.454	3	0		JIAFRO
O=C1N(CCCC[NH+]2CCN(c3nsc4ccccc43)CC2)CSC12Cc1ccccc1C2	ZINC000013759395	562989264	/nfs/dbraw/zinc/98/92/64/562989264.db2.gz	KNKQFICBNCXQPO-UHFFFAOYSA-N	1	0	478.687	4.269	1	0		JIAFRO
COC(=O)C[C@H](CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C(N)=[NH2+])c1	ZINC000013776598	562990971	/nfs/dbraw/zinc/99/09/71/562990971.db2.gz	GKIMFPDOQSVZBN-FQEVSTJZSA-N	1	0	465.575	4.051	1	0		JIAFRO
CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CC[NH+](C(C)(C)C)CC1)c1cc(Cl)ccc1-2	ZINC000013796102	562993170	/nfs/dbraw/zinc/99/31/70/562993170.db2.gz	FVGHCTYXEODIFY-UHFFFAOYSA-N	1	0	474.005	4.337	1	0		JIAFRO
Cc1ccc(C[NH2+]CC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-n1cccn1	ZINC000013797318	562993300	/nfs/dbraw/zinc/99/33/00/562993300.db2.gz	VTOWCNHGZNRYSU-UHFFFAOYSA-N	1	0	459.928	4.102	1	0		JIAFRO
O=C(c1ccc(F)cc1)C1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1	ZINC000013819803	562997228	/nfs/dbraw/zinc/99/72/28/562997228.db2.gz	JFQVHBZRRZBJFS-HSZRJFAPSA-N	1	0	483.609	4.445	1	0		JIAFRO
C[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCC1	ZINC000013863710	563003552	/nfs/dbraw/zinc/00/35/52/563003552.db2.gz	NFYHRIITTGWAQV-UZLBHIALSA-N	1	0	470.441	4.468	1	0		JIAFRO
CCc1cc(NC(=O)NC[C@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@@H]2CC)cc(-c2nnnn2C)c1	ZINC000013976032	563004952	/nfs/dbraw/zinc/00/49/52/563004952.db2.gz	WLGFAARWTXZRGB-GMAHTHKFSA-N	1	0	493.631	4.291	1	0		JIAFRO
c1cc(Nc2ncnc3cc(OCC[NH+]4CCCC4)cc(OC4CCOCC4)c32)c2c(c1)OCCO2	ZINC000014949429	563006984	/nfs/dbraw/zinc/00/69/84/563006984.db2.gz	MNYUDSXBPUCGII-UHFFFAOYSA-N	1	0	492.576	4.177	1	0		JIAFRO
CN1c2ccccc2[C@H]2SC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)=C[C@H]2C1=O	ZINC000020105135	563015644	/nfs/dbraw/zinc/01/56/44/563015644.db2.gz	ZMZCTIPQOIUGBY-RCZVLFRGSA-N	1	0	461.631	4.022	1	0		JIAFRO
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000022448619	563017091	/nfs/dbraw/zinc/01/70/91/563017091.db2.gz	FLEXENSQDQMATB-AREMUKBSSA-N	1	0	458.602	4.060	1	0		JIAFRO
O[C@H](Cc1ccccc1)C[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000022925298	563017492	/nfs/dbraw/zinc/01/74/92/563017492.db2.gz	GJDQYWYMCFMZIM-HHHXNRCGSA-N	1	0	466.572	4.292	1	0		JIAFRO
O[C@@H](COc1ccnc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934059	563018640	/nfs/dbraw/zinc/01/86/40/563018640.db2.gz	AJMXTJYRMRUQNS-RUZDIDTESA-N	1	0	453.586	4.382	1	0		JIAFRO
C[NH+]1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(-c4ccccc4)cc3cn2)CC1	ZINC000022933815	563018660	/nfs/dbraw/zinc/01/86/60/563018660.db2.gz	YHWIDOWCIUQFLW-UHFFFAOYSA-N	1	0	475.641	4.266	1	0		JIAFRO
NC(=[NH2+])c1cccc(C(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)c1	ZINC000026392107	563027321	/nfs/dbraw/zinc/02/73/21/563027321.db2.gz	MDVRPUVKVLBCJM-UHFFFAOYSA-N	1	0	497.643	4.344	1	0		JIAFRO
O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccccc1	ZINC000027635447	563047815	/nfs/dbraw/zinc/04/78/15/563047815.db2.gz	HZVRWUILLPQCFM-UHFFFAOYSA-N	1	0	466.029	4.128	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CCOc4ccc(F)cc4)C=C[C@@]31CC[N@@H+](C)C2	ZINC000027646330	563048315	/nfs/dbraw/zinc/04/83/15/563048315.db2.gz	KMZQPYNHIDUCTA-YBXDKENTSA-N	1	0	453.510	4.009	1	0		JIAFRO
CC[N@H+](C)CCN1c2ccc(Cl)cc2S[C@H](c2ccc(OC)cc2)[C@@H](OC(C)=O)C1=O	ZINC000027734331	563050781	/nfs/dbraw/zinc/05/07/81/563050781.db2.gz	XRCCVNITYUHQDQ-FGZHOGPDSA-N	1	0	462.999	4.412	1	0		JIAFRO
[NH3+]CCCCCNC(=O)Cn1c(=O)c2cc(Br)ccc2nc1-c1ccc2ccccc2c1	ZINC000027891273	563052891	/nfs/dbraw/zinc/05/28/91/563052891.db2.gz	MRFLXHSGRLWBQR-UHFFFAOYSA-N	1	0	493.405	4.224	1	0		JIAFRO
CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C(N)=[NH2+]	ZINC000028089155	563055612	/nfs/dbraw/zinc/05/56/12/563055612.db2.gz	RTAQWGSGYVZCLM-UHFFFAOYSA-N	1	0	471.348	4.218	1	0		JIAFRO
CCOc1ccccc1N1CC[NH+](CCC[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1	ZINC000028712815	563077178	/nfs/dbraw/zinc/07/71/78/563077178.db2.gz	BUSRXNBLQQVZCO-NRFANRHFSA-N	1	0	453.583	4.198	1	0		JIAFRO
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H]2COC[C@H]2c2ccc(Cl)cc2)CC1	ZINC000029039389	563091224	/nfs/dbraw/zinc/09/12/24/563091224.db2.gz	YIOJCRRQROSNFU-FUDKSRODSA-N	1	0	459.993	4.214	1	0		JIAFRO
C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)[C@@H]2C(=O)NC(=O)[C@H]2c2cn(c3ccccc23)CCO1	ZINC000029061544	563093992	/nfs/dbraw/zinc/09/39/92/563093992.db2.gz	DRIXYLZMWNQAEJ-ATANMQQVSA-N	1	0	470.573	4.311	1	0		JIAFRO
Cc1ccc(O)c(Cn2c3cc([C@H](O)c4ccccc4)ccc3nc2NC2CC[NH+](C)CC2)n1	ZINC000029134403	563097884	/nfs/dbraw/zinc/09/78/84/563097884.db2.gz	HEVLJVLIRXCCAT-AREMUKBSSA-N	1	0	457.578	4.081	1	0		JIAFRO
COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2/C=C/c2cc(C)no2)cc1OC	ZINC000029231069	563099036	/nfs/dbraw/zinc/09/90/36/563099036.db2.gz	AYGMDMLHZRHNBE-GPBNEQGLSA-N	1	0	452.551	4.131	1	0		JIAFRO
CCCCOc1ccc(CC[N@H+](C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1	ZINC000029316871	563100076	/nfs/dbraw/zinc/10/00/76/563100076.db2.gz	ZNIZOBLYTCVXPW-UHFFFAOYSA-N	1	0	468.638	4.375	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(NC(=O)CN(C)C)c3)CC2)n1	ZINC000034271768	563112806	/nfs/dbraw/zinc/11/28/06/563112806.db2.gz	KFSJURQYNCYVKV-UHFFFAOYSA-N	1	0	460.622	4.377	1	0		JIAFRO
Cn1c2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc2c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000034950146	563117691	/nfs/dbraw/zinc/11/76/91/563117691.db2.gz	GSXPCDRGOLRUFM-UHFFFAOYSA-N	1	0	474.992	4.419	1	0		JIAFRO
Cc1onc2c1c(-c1cccs1)nn(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O	ZINC000035080190	563119052	/nfs/dbraw/zinc/11/90/52/563119052.db2.gz	BGTCESYXGIIHMP-UHFFFAOYSA-N	1	0	469.998	4.287	1	0		JIAFRO
CNc1nccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3Cl)C[NH+](C)C)s2)n1	ZINC000036144135	563122722	/nfs/dbraw/zinc/12/27/22/563122722.db2.gz	MEXFHCBCJNTBDV-HNNXBMFYSA-N	1	0	464.422	4.456	1	0		JIAFRO
C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(C[NH3+])cc1	ZINC000036330441	563126028	/nfs/dbraw/zinc/12/60/28/563126028.db2.gz	CWDMNHRPPUTQRX-NDEPHWFRSA-N	1	0	467.573	4.265	1	0		JIAFRO
CCc1[nH+]c(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000036349124	563126509	/nfs/dbraw/zinc/12/65/09/563126509.db2.gz	DBRMYPICDAFVBO-UHFFFAOYSA-N	1	0	453.612	4.372	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1	ZINC000036351592	563126980	/nfs/dbraw/zinc/12/69/80/563126980.db2.gz	INODKWNCWORUNS-PKTZIBPZSA-N	1	0	488.554	4.275	1	0		JIAFRO
C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCc3ccc(N)cc3C2)CC1	ZINC000036351910	563127163	/nfs/dbraw/zinc/12/71/63/563127163.db2.gz	AMCXJTXNFNTRKC-QFIPXVFZSA-N	1	0	474.024	4.090	1	0		JIAFRO
Cc1ccc(/C=C/C(=O)O[C@]23CCC(=O)[C@@H]4Oc5c6c(ccc5O)C[C@H]2[N@@H+](CC2CC2)CC[C@]643)cc1	ZINC000040409112	563140412	/nfs/dbraw/zinc/14/04/12/563140412.db2.gz	NMTMBZUBWPVSPH-SHEAVXILSA-N	1	0	485.580	4.098	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCCS4(=O)=O)c3)CC2)n1	ZINC000040424920	563142910	/nfs/dbraw/zinc/14/29/10/563142910.db2.gz	WQRVLZPCOXHNAI-UHFFFAOYSA-N	1	0	479.646	4.417	1	0		JIAFRO
OC[C@@]1(CCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H](O5)[C@@H]1O	ZINC000040620052	563146972	/nfs/dbraw/zinc/14/69/72/563146972.db2.gz	SKIDMCPEQHYTLO-OXHBQIKWSA-N	1	0	489.656	4.204	1	0		JIAFRO
C[NH+]1CCN(CCOc2ccc(-c3cnc4c(-c5ccnc6ccccc65)cnn4c3)cc2)CC1	ZINC000040892764	563153448	/nfs/dbraw/zinc/15/34/48/563153448.db2.gz	BFUOPMIITSRNOV-UHFFFAOYSA-N	1	0	464.573	4.238	1	0		JIAFRO
C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5cc(NCc6ccccc6)ccc5[nH]c4=O)nc3c2)CC1	ZINC000040955796	563160864	/nfs/dbraw/zinc/16/08/64/563160864.db2.gz	PWPWTOPEJWNZOA-UHFFFAOYSA-N	1	0	479.588	4.018	1	0		JIAFRO
O=C1CC[C@](c2ccc(F)cc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C(=O)N1	ZINC000040957721	563161159	/nfs/dbraw/zinc/16/11/59/563161159.db2.gz	BUEUGBNZNPHBIF-QHCPKHFHSA-N	1	0	459.359	4.175	1	0		JIAFRO
O=C1C[C@H](c2ccccc2C(F)(F)F)C(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000042888305	563163376	/nfs/dbraw/zinc/16/33/76/563163376.db2.gz	FIYHUIJHAVEJNN-HXUWFJFHSA-N	1	0	479.930	4.414	1	0		JIAFRO
O=C1NC(=S)NC1=Cc1cn(CCCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc12	ZINC000043060839	563165722	/nfs/dbraw/zinc/16/57/22/563165722.db2.gz	VNTAYOALAPMBDG-CLCOLTQESA-N	1	0	473.646	4.390	1	0		JIAFRO
C[NH+](C)CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000043122556	563167706	/nfs/dbraw/zinc/16/77/06/563167706.db2.gz	PWKVECBFGMGWLG-UHFFFAOYSA-N	1	0	497.477	4.386	1	0		JIAFRO
Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCNC(=O)c5ccnn5C)cc4)cc3)nc21	ZINC000045167392	563173227	/nfs/dbraw/zinc/17/32/27/563173227.db2.gz	XJNKQIRRAQRCRZ-UHFFFAOYSA-N	1	0	464.573	4.458	1	0		JIAFRO
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CC2	ZINC000045169183	563174076	/nfs/dbraw/zinc/17/40/76/563174076.db2.gz	ILYOGMDIUZRLHH-UHFFFAOYSA-N	1	0	460.500	4.434	1	0		JIAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2)nc(NCCOc2ccccc2)[nH+]1	ZINC000045196352	563177976	/nfs/dbraw/zinc/17/79/76/563177976.db2.gz	XEZZHYVOBKIFAP-DEOSSOPVSA-N	1	0	477.609	4.298	1	0		JIAFRO
CN1CCC([NH2+]CCS(=O)(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)c2)CC1	ZINC000045301733	563185891	/nfs/dbraw/zinc/18/58/91/563185891.db2.gz	PJUMMEJKRANYQY-UHFFFAOYSA-N	1	0	468.598	4.089	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(C[NH2+]Cc3ccccc3)c2)s1	ZINC000045303026	563187012	/nfs/dbraw/zinc/18/70/12/563187012.db2.gz	KKAMBHIQYSCJSW-UHFFFAOYSA-N	1	0	455.649	4.079	1	0		JIAFRO
Oc1ccc(CCCNc2nc(NCc3cccc4ccccc43)nc(N3CCC[NH2+]CC3)n2)cc1	ZINC000045335373	563190033	/nfs/dbraw/zinc/19/00/33/563190033.db2.gz	ZNVIRQKNNNAVBQ-UHFFFAOYSA-N	1	0	483.620	4.187	1	0		JIAFRO
O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(I)ccc21	ZINC000045495097	563195439	/nfs/dbraw/zinc/19/54/39/563195439.db2.gz	UHXGTSWGMUAMLW-MOSHPQCFSA-N	1	0	487.341	4.000	1	0		JIAFRO
O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COc2ccc3[nH]ccc3c2)CC1	ZINC000049036511	563198913	/nfs/dbraw/zinc/19/89/13/563198913.db2.gz	WCKHOZOGTGBXSD-QFIPXVFZSA-N	1	0	483.568	4.069	1	0		JIAFRO
OCc1cc([C@@H](O)C[NH2+]CCCCCCOCCOCc2cccc3ccccc32)ccc1O	ZINC000049053892	563200356	/nfs/dbraw/zinc/20/03/56/563200356.db2.gz	KYIUFFBJQKFBKO-NDEPHWFRSA-N	1	0	467.606	4.455	1	0		JIAFRO
CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1	ZINC000052988015	563204914	/nfs/dbraw/zinc/20/49/14/563204914.db2.gz	IMBDRGLQGCAYLF-UHFFFAOYSA-N	1	0	475.630	4.025	1	0		JIAFRO
C[N@@H+]1CCC[C@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)C1	ZINC000058533913	563206936	/nfs/dbraw/zinc/20/69/36/563206936.db2.gz	DTACAHMZFMCUJP-BCHFMIIMSA-N	1	0	451.014	4.184	1	0		JIAFRO
O=C(Cn1c(=O)c2cc(OCCC[NH+]3CCCCCC3)ccc2nc1-c1ccccc1)NCC1CC1	ZINC000058582947	563207872	/nfs/dbraw/zinc/20/78/72/563207872.db2.gz	YREYEYHEYWEJAE-UHFFFAOYSA-N	1	0	488.632	4.235	1	0		JIAFRO
CC[N@H+](C)CCN1c2ccc(Cl)cc2S[C@@H](c2ccc(OC)cc2)[C@@H](OC(C)=O)C1=O	ZINC000058635405	563208562	/nfs/dbraw/zinc/20/85/62/563208562.db2.gz	XRCCVNITYUHQDQ-YADHBBJMSA-N	1	0	462.999	4.412	1	0		JIAFRO
C[NH+](C)[C@@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000060325824	563209483	/nfs/dbraw/zinc/20/94/83/563209483.db2.gz	SZOUKQKLAZNOSX-OAHLLOKOSA-N	1	0	451.361	4.199	1	0		JIAFRO
COc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3c2CC[C@H]([NH+](C)C)C3)cc1	ZINC000060325708	563209488	/nfs/dbraw/zinc/20/94/88/563209488.db2.gz	TVWJLEDPDYVIAF-HNNXBMFYSA-N	1	0	463.397	4.068	1	0		JIAFRO
O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000061895484	563209696	/nfs/dbraw/zinc/20/96/96/563209696.db2.gz	JEEFPVKRNOKVQU-XMMPIXPASA-N	1	0	468.960	4.266	3	0		JIAFRO
CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(N5CC[NH+](C)CC5)cc4)cn23)c1	ZINC000061904987	563210228	/nfs/dbraw/zinc/21/02/28/563210228.db2.gz	AYRCUWMQATXMRB-UHFFFAOYSA-N	1	0	453.546	4.191	3	0		JIAFRO
C[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccc(OC(F)(F)F)cc1	ZINC000061905801	563210383	/nfs/dbraw/zinc/21/03/83/563210383.db2.gz	OKJNREWLJNNZTL-DEOSSOPVSA-N	1	0	461.528	4.330	3	0		JIAFRO
CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC)C[C@@H]([C@](C)(O)C2CC[NH2+]CC2)O3)O1	ZINC000085595035	291523047	/nfs/dbraw/zinc/52/30/47/291523047.db2.gz	WOJUEKLNFNYJME-BZNYHPBDSA-N	1	0	471.594	4.018	1	0	biogenic,in-vitro	JIAFRO
O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1	ZINC000020985644	195260388	/nfs/dbraw/zinc/26/03/88/195260388.db2.gz	LBEADOWNAFANPC-UHFFFAOYSA-N	1	0	461.631	4.430	1	0		JIAFRO
COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1OC	ZINC000001545763	562921060	/nfs/dbraw/zinc/92/10/60/562921060.db2.gz	BNUWTRKFLMMITA-FQEVSTJZSA-N	1	0	462.546	4.130	1	0		JIAFRO
CN(CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2cc[nH+]cc2)CC1	ZINC000001551968	562921233	/nfs/dbraw/zinc/92/12/33/562921233.db2.gz	LDDPDPYFONZHTF-UHFFFAOYSA-N	1	0	486.037	4.427	1	0		JIAFRO
Cn1c2ccccc2c2c1C(=O)N(CCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)CC2	ZINC000001623028	562921663	/nfs/dbraw/zinc/92/16/63/562921663.db2.gz	ZXDMGMNETBRKMC-UHFFFAOYSA-N	1	0	451.014	4.432	1	0		JIAFRO
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2C)n1	ZINC000011787291	562957651	/nfs/dbraw/zinc/95/76/51/562957651.db2.gz	WTCXMPNRPYBJOR-QFIPXVFZSA-N	1	0	482.588	4.041	1	0		JIAFRO
CC(=O)c1cccc(NC(=O)NCCC[N@@H+]2CC[C@H](Cc3ccccc3)C[C@@H]2C(C)(C)O)c1	ZINC000013443653	562963864	/nfs/dbraw/zinc/96/38/64/562963864.db2.gz	AXUHRCROLFVLAP-RCZVLFRGSA-N	1	0	451.611	4.495	1	0		JIAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1	ZINC000013537950	562972860	/nfs/dbraw/zinc/97/28/60/562972860.db2.gz	JUCGBCAPXDBWDV-INIZCTEOSA-N	1	0	458.360	4.028	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3ccc4c(c3)CCC4)C1)CC2	ZINC000013558962	562974570	/nfs/dbraw/zinc/97/45/70/562974570.db2.gz	NTSNRUBLUKAOBI-QHCPKHFHSA-N	1	0	464.606	4.124	1	0		JIAFRO
COc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2F)cc1	ZINC000013643367	562980451	/nfs/dbraw/zinc/98/04/51/562980451.db2.gz	SUDGKHGTKKJQCF-UHFFFAOYSA-N	1	0	463.553	4.497	1	0		JIAFRO
COc1cc(OC)c([C@@H](CC[NH+]2CCCC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12	ZINC000013661202	562982241	/nfs/dbraw/zinc/98/22/41/562982241.db2.gz	NDXYJOLKUBRFEL-SFHVURJKSA-N	1	0	483.561	4.454	3	0		JIAFRO
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc[n+](C)c2)[C@H]1O	ZINC000013673065	562982840	/nfs/dbraw/zinc/98/28/40/562982840.db2.gz	PYNFXSQFUMFYKX-JWQCQUIFSA-N	1	0	459.676	4.224	1	0		JIAFRO
COc1cc(C(=O)N(C)C)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000013740864	562986937	/nfs/dbraw/zinc/98/69/37/562986937.db2.gz	LCIPVHBFQNHEJP-UHFFFAOYSA-N	1	0	455.530	4.326	1	0		JIAFRO
Nc1cc(C(F)(F)F)ccc1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013747175	562988375	/nfs/dbraw/zinc/98/83/75/562988375.db2.gz	UXBKOBHMEXWBKP-UHFFFAOYSA-N	1	0	477.556	4.230	1	0		JIAFRO
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)C[NH3+])c3Cl)cccn2c1Br	ZINC000013778290	562991229	/nfs/dbraw/zinc/99/12/29/562991229.db2.gz	KZIDOGNTOFRIQH-UHFFFAOYSA-N	1	0	472.170	4.213	1	0		JIAFRO
C[NH+]1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4c(Cl)ccnc43)CC2)CC1	ZINC000013778948	562991249	/nfs/dbraw/zinc/99/12/49/562991249.db2.gz	KUDPIMFKJDNBBT-AREMUKBSSA-N	1	0	487.475	4.453	1	0		JIAFRO
CCc1cc([C@@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc(CC)c1O	ZINC000013799695	562993750	/nfs/dbraw/zinc/99/37/50/562993750.db2.gz	PAHAHHRAJCLZGL-SANMLTNESA-N	1	0	486.634	4.221	1	0		JIAFRO
CC[C@H](c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000013975191	563004907	/nfs/dbraw/zinc/00/49/07/563004907.db2.gz	YKYLFOAUDQVKCU-JOCHJYFZSA-N	1	0	492.023	4.448	1	0		JIAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@](CC)(c1cc(F)cc(F)c1)O2	ZINC000014966369	563009184	/nfs/dbraw/zinc/00/91/84/563009184.db2.gz	ICDYHYNUXPDZEQ-AREMUKBSSA-N	1	0	497.546	4.216	1	0		JIAFRO
O=C(NCC1CCCCC1)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CC[NH2+]CC1	ZINC000015924902	563011820	/nfs/dbraw/zinc/01/18/20/563011820.db2.gz	JWAWTMWKNWPVAO-HXUWFJFHSA-N	1	0	462.432	4.399	3	0		JIAFRO
COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC	ZINC000026019775	563021954	/nfs/dbraw/zinc/02/19/54/563021954.db2.gz	FDVHRNJEBIWFEM-HXUWFJFHSA-N	1	0	479.602	4.394	1	0		JIAFRO
C[NH+](C)CCCOc1cc(C(=O)Nc2ccc(-c3csnn3)cc2)n(Cc2ccccc2)n1	ZINC000026026903	563022131	/nfs/dbraw/zinc/02/21/31/563022131.db2.gz	PVJAHYIURVYXEW-UHFFFAOYSA-N	1	0	462.579	4.033	1	0		JIAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(I)cc2)C1C(=O)OCC	ZINC000026963060	563038187	/nfs/dbraw/zinc/03/81/87/563038187.db2.gz	MVKNKRHQRFFXNT-PQMNFKMDSA-N	1	0	455.292	4.493	1	0		JIAFRO
COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]C[C@@H](O)COc2ccc(O)cc2)cc1OC	ZINC000027559388	563046760	/nfs/dbraw/zinc/04/67/60/563046760.db2.gz	BNUWTRKFLMMITA-HXUWFJFHSA-N	1	0	462.546	4.130	1	0		JIAFRO
CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)N(C)C)C(C)C	ZINC000028132507	563057418	/nfs/dbraw/zinc/05/74/18/563057418.db2.gz	FQALZLYOTRJARA-AREMUKBSSA-N	1	0	480.653	4.081	1	0		JIAFRO
Cc1ccc(Cl)c(O[C@H](C(C)C)[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1	ZINC000028333189	563059713	/nfs/dbraw/zinc/05/97/13/563059713.db2.gz	BOWNRQWYUOTCCD-ISKFKSNPSA-N	1	0	458.002	4.393	1	0		JIAFRO
CCc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CCCc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1	ZINC000028333614	563059837	/nfs/dbraw/zinc/05/98/37/563059837.db2.gz	ZNHOHPSHSBMVBS-NRFANRHFSA-N	1	0	479.604	4.045	1	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC	ZINC000028368862	563062222	/nfs/dbraw/zinc/06/22/22/563062222.db2.gz	CYQHDGVGYUKXFU-UHFFFAOYSA-N	1	0	468.476	4.309	1	0		JIAFRO
Cc1nc(N)sc1S(=O)(=O)n1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21	ZINC000028526556	563067986	/nfs/dbraw/zinc/06/79/86/563067986.db2.gz	VKTXPTDFLCKRFX-SFHVURJKSA-N	1	0	452.605	4.215	1	0		JIAFRO
CC[NH+](CC)CCN1c2ccccc2N(CCc2ccc(OC)cc2)c2ncccc2S1(=O)=O	ZINC000028637915	563071991	/nfs/dbraw/zinc/07/19/91/563071991.db2.gz	UIDVMIWNZXASAZ-UHFFFAOYSA-N	1	0	480.634	4.322	1	0		JIAFRO
CN(CCC[NH+](C)C)c1cc(Oc2ccc(-n3ccnc3)cc2)nc(Cc2ccc3c(c2)OCO3)n1	ZINC000028709542	563075977	/nfs/dbraw/zinc/07/59/77/563075977.db2.gz	GQYFOXVFQHETME-UHFFFAOYSA-N	1	0	486.576	4.162	1	0		JIAFRO
CCOc1ccccc1N1CC[NH+](CCC[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)CC1	ZINC000028712814	563077212	/nfs/dbraw/zinc/07/72/12/563077212.db2.gz	BUSRXNBLQQVZCO-OAQYLSRUSA-N	1	0	453.583	4.198	1	0		JIAFRO
CC(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000028869438	563083952	/nfs/dbraw/zinc/08/39/52/563083952.db2.gz	XNOVFNOSXDKSSL-QFIPXVFZSA-N	1	0	452.451	4.348	1	0		JIAFRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O	ZINC000028884387	563084808	/nfs/dbraw/zinc/08/48/08/563084808.db2.gz	PWRRUNHUWZYATQ-KRWDZBQOSA-N	1	0	453.970	4.131	1	0		JIAFRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O	ZINC000028884431	563084900	/nfs/dbraw/zinc/08/49/00/563084900.db2.gz	VNUBHRBMRUDMKF-QGZVFWFLSA-N	1	0	453.970	4.131	1	0		JIAFRO
O=C(N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1cccnc1	ZINC000029038636	563090779	/nfs/dbraw/zinc/09/07/79/563090779.db2.gz	CXZDAMKDHUXFMW-VWLOTQADSA-N	1	0	483.641	4.473	1	0		JIAFRO
Cc1cc(C)n(-c2cc(NC(=O)COc3ccc(C)cc3C[NH+](C)C)nc(-c3ccc(C)o3)n2)n1	ZINC000029041694	563091711	/nfs/dbraw/zinc/09/17/11/563091711.db2.gz	JRSBOEXRHWTTLU-UHFFFAOYSA-N	1	0	474.565	4.235	1	0		JIAFRO
O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCC[C@@H](c2ccccc2)[C@H]1C[NH+]1CCCC1	ZINC000029044673	563092253	/nfs/dbraw/zinc/09/22/53/563092253.db2.gz	STALPJWOKWGXGL-RBBKRZOGSA-N	1	0	453.970	4.119	1	0		JIAFRO
C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)[C@H]2C(=O)NC(=O)[C@H]2c2cn(c3ccccc23)CCO1	ZINC000029061539	563093994	/nfs/dbraw/zinc/09/39/94/563093994.db2.gz	DRIXYLZMWNQAEJ-IMDCKVJKSA-N	1	0	470.573	4.311	1	0		JIAFRO
O=S(=O)(c1ccccc1Cl)N1CCC([NH+]2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1	ZINC000029125778	563094918	/nfs/dbraw/zinc/09/49/18/563094918.db2.gz	HHYAPBFNIKQQRE-UHFFFAOYSA-N	1	0	487.424	4.269	1	0		JIAFRO
CC(C)CCN(CC[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)[C@H]1Cc2ccc(O)cc2CN1	ZINC000029134435	563097922	/nfs/dbraw/zinc/09/79/22/563097922.db2.gz	OYMZFOPIGNGALP-JWCTUAFDSA-N	1	0	493.692	4.287	1	0		JIAFRO
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[NH+](C)C	ZINC000029488270	563105671	/nfs/dbraw/zinc/10/56/71/563105671.db2.gz	CNLHFBORQNPYQY-DQEYMECFSA-N	1	0	467.654	4.184	1	0		JIAFRO
CCCC[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000034001043	563111666	/nfs/dbraw/zinc/11/16/66/563111666.db2.gz	NHYMWKHINJIWJL-IBGZPJMESA-N	1	0	489.465	4.449	1	0		JIAFRO
C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1)[NH+](C)C	ZINC000034561128	563113850	/nfs/dbraw/zinc/11/38/50/563113850.db2.gz	LAFMSVDAYLPWTK-ACJLOTCBSA-N	1	0	496.029	4.400	1	0		JIAFRO
CC(C)(O)C1CC[NH+](Cc2cc3nc(-c4cccc5n[nH]cc54)nc(N4CCOCC4)c3s2)CC1	ZINC000035873355	563121047	/nfs/dbraw/zinc/12/10/47/563121047.db2.gz	GNSTZGWRZZSODE-UHFFFAOYSA-N	1	0	492.649	4.054	1	0		JIAFRO
Cc1cccc(C(=O)Nc2ccc(C[N@@H+](C)C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)c1	ZINC000035922605	563121314	/nfs/dbraw/zinc/12/13/14/563121314.db2.gz	WFCDCXCREAEXPP-MHZLTWQESA-N	1	0	491.542	4.137	1	0		JIAFRO
CC[NH+](CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(Cl)cc3)CC1=O)C2	ZINC000036126704	563122535	/nfs/dbraw/zinc/12/25/35/563122535.db2.gz	GIRWMBVCAVUZRN-SANMLTNESA-N	1	0	454.058	4.426	1	0		JIAFRO
COC(=O)c1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1	ZINC000036176890	563123344	/nfs/dbraw/zinc/12/33/44/563123344.db2.gz	HUQYQFBIFGUUQQ-UHFFFAOYSA-N	1	0	458.566	4.348	1	0		JIAFRO
CC[C@H](c1nn2cc(Cl)cc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000036184700	563123685	/nfs/dbraw/zinc/12/36/85/563123685.db2.gz	HLMSMLBYLICYCM-HSZRJFAPSA-N	1	0	492.023	4.448	1	0		JIAFRO
C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(C[NH3+])cc1	ZINC000036330442	563126015	/nfs/dbraw/zinc/12/60/15/563126015.db2.gz	CWDMNHRPPUTQRX-MUUNZHRXSA-N	1	0	467.573	4.265	1	0		JIAFRO
CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000038217336	563133273	/nfs/dbraw/zinc/13/32/73/563133273.db2.gz	AOPWQMZXHFQASV-QPPBQGQZSA-N	1	0	467.576	4.318	1	0		JIAFRO
CCC[N@H+](C[C@H]1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040420352	563141268	/nfs/dbraw/zinc/14/12/68/563141268.db2.gz	UFSULTLEIKMZQU-DOTOQJQBSA-N	1	0	453.533	4.366	1	0		JIAFRO
CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([C@@H]2CCCC[N@@H+]2C)CC1	ZINC000040867195	563151290	/nfs/dbraw/zinc/15/12/90/563151290.db2.gz	YOXAXZMACJPJQC-FQEVSTJZSA-N	1	0	490.497	4.030	1	0		JIAFRO
COc1ccc(N(C(=O)c2ccccc2)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)c2ccccc2F)c(OC)c1	ZINC000040914047	563155139	/nfs/dbraw/zinc/15/51/39/563155139.db2.gz	MZAHUXATQGDNPE-AFMDSPMNSA-N	1	0	493.579	4.297	1	0		JIAFRO
CCC[N@H+](Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040915962	563155576	/nfs/dbraw/zinc/15/55/76/563155576.db2.gz	NUDQSMCLRFXLKF-OAQYLSRUSA-N	1	0	465.342	4.119	1	0		JIAFRO
CC(C)[N@H+](Cc1ccccc1Br)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040917852	563156025	/nfs/dbraw/zinc/15/60/25/563156025.db2.gz	VQEUFKAZJQQRPS-OAQYLSRUSA-N	1	0	465.342	4.117	1	0		JIAFRO
COc1ccc([C@@]2(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)cc1	ZINC000040953674	563160380	/nfs/dbraw/zinc/16/03/80/563160380.db2.gz	XSHGJOYDZAJONZ-XMMPIXPASA-N	1	0	471.395	4.044	1	0		JIAFRO
COc1cccc([C@@]2(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1	ZINC000040973795	563161595	/nfs/dbraw/zinc/16/15/95/563161595.db2.gz	XSYXVRSGXZPMBZ-DEOSSOPVSA-N	1	0	471.395	4.044	1	0		JIAFRO
[NH3+]C[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1	ZINC000040974547	563161747	/nfs/dbraw/zinc/16/17/47/563161747.db2.gz	MVWYIUZSZIETFZ-AWEZNQCLSA-N	1	0	473.371	4.493	1	0		JIAFRO
COc1ccc(NC(=S)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccccc3)cc2)cc1	ZINC000043021475	563165053	/nfs/dbraw/zinc/16/50/53/563165053.db2.gz	SZQQLUKPAYFHNU-QFIPXVFZSA-N	1	0	451.592	4.076	1	0		JIAFRO
Nc1[nH+]ccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc21	ZINC000043169699	563168028	/nfs/dbraw/zinc/16/80/28/563168028.db2.gz	AHEIEXXGHCSZMY-DEOSSOPVSA-N	1	0	467.529	4.391	1	0		JIAFRO
COc1cccc(NC(=O)c2cc(Br)cc(N3CCN(c4cc[nH+]cc4)CC3)c2)c1	ZINC000045188611	563174911	/nfs/dbraw/zinc/17/49/11/563174911.db2.gz	SMDDHZMVWJPHIM-UHFFFAOYSA-N	1	0	467.367	4.432	1	0		JIAFRO
C[NH+]1CCC(Oc2ccc(Nc3nccc(NC[C@@H](O)c4ccccc4)n3)cc2Cl)CC1	ZINC000045201461	563178209	/nfs/dbraw/zinc/17/82/09/563178209.db2.gz	KHBKDGYHBCZHFV-OAQYLSRUSA-N	1	0	453.974	4.492	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1F	ZINC000045201825	563178467	/nfs/dbraw/zinc/17/84/67/563178467.db2.gz	DLPXISZUTYHQCQ-UHFFFAOYSA-N	1	0	493.648	4.124	1	0		JIAFRO
CC(C)[C@H](NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCC[NH+]1CCCC1	ZINC000045202035	563178563	/nfs/dbraw/zinc/17/85/63/563178563.db2.gz	GBJCHCJZIRSBAE-QFIPXVFZSA-N	1	0	478.420	4.332	1	0		JIAFRO
O=C(CC[NH+]1CCCCC1)Nc1ccc(Nc2nccc(NC[C@H](O)c3ccccc3)n2)cc1	ZINC000045211183	563179639	/nfs/dbraw/zinc/17/96/39/563179639.db2.gz	VIONTDYDQRRZBY-QHCPKHFHSA-N	1	0	460.582	4.180	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]CCOc4cccc(C(F)(F)F)c4)CC3)c2c1	ZINC000045231396	563181471	/nfs/dbraw/zinc/18/14/71/563181471.db2.gz	MFVJARKJEBVSFF-VWLOTQADSA-N	1	0	489.538	4.429	1	0		JIAFRO
Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(COCCF)n3)[nH+]2)oc1C	ZINC000045244991	563181583	/nfs/dbraw/zinc/18/15/83/563181583.db2.gz	FMAPVZVODOZYFJ-UHFFFAOYSA-N	1	0	487.601	4.309	1	0		JIAFRO
[NH2+]=C1N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NOCCN12	ZINC000045253856	563182248	/nfs/dbraw/zinc/18/22/48/563182248.db2.gz	SCODXNNXABJQIY-JOCHJYFZSA-N	1	0	471.414	4.004	1	0		JIAFRO
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CC[NH+](C)CC1	ZINC000045254363	563182364	/nfs/dbraw/zinc/18/23/64/563182364.db2.gz	KWXBBKJZUSKVAU-UHFFFAOYSA-N	1	0	468.989	4.011	1	0		JIAFRO
CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1	ZINC000045289433	563184649	/nfs/dbraw/zinc/18/46/49/563184649.db2.gz	APNWWOWCBHLGTF-GLSIXWEXSA-N	1	0	493.692	4.246	1	0		JIAFRO
O=C(NCCc1ccccc1)c1cnc(NCCC[NH+]2CCCC2)nc1NCC1CCCCC1	ZINC000045322533	563188548	/nfs/dbraw/zinc/18/85/48/563188548.db2.gz	ILPLPOHPPIMQKE-UHFFFAOYSA-N	1	0	464.658	4.339	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2ccc(O)c3ncccc23)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000045368742	563193413	/nfs/dbraw/zinc/19/34/13/563193413.db2.gz	PYPHZFKZPWVUSJ-HSZRJFAPSA-N	1	0	460.622	4.038	1	0		JIAFRO
C[N@@H+]1CCC[C@@H]1CCNc1ncc(C(=O)NCCc2ccccc2)c(NCC2CCCCC2)n1	ZINC000045371304	563193759	/nfs/dbraw/zinc/19/37/59/563193759.db2.gz	LNEBMXPUQKRAKB-HSZRJFAPSA-N	1	0	464.658	4.338	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2ccc(O)c3ncccc23)CC1)[C@H]1CCc2c(O)cccc2C1	ZINC000045374694	563194113	/nfs/dbraw/zinc/19/41/13/563194113.db2.gz	WUJBQGWQEZSHSL-QFIPXVFZSA-N	1	0	460.622	4.038	1	0		JIAFRO
Cn1c(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccnnc1	ZINC000049045863	563199366	/nfs/dbraw/zinc/19/93/66/563199366.db2.gz	OTKZOEOQKWTXMD-GHTZIAJQSA-N	1	0	460.529	4.047	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314	ZINC000058482271	563206557	/nfs/dbraw/zinc/20/65/57/563206557.db2.gz	URWDYRQKPWUVAP-UHSDMLCYSA-N	1	0	489.656	4.117	1	0		JIAFRO
C[NH+](C)C12C[C@H](OC(=O)CN3CCC(O)CC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000058538609	563207090	/nfs/dbraw/zinc/20/70/90/563207090.db2.gz	PZDNXCCXVDVOLA-CIVVDIMJSA-N	1	0	462.634	4.037	1	0		JIAFRO
[NH3+]CCCNC(=O)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1	ZINC000058590469	563208035	/nfs/dbraw/zinc/20/80/35/563208035.db2.gz	APLPSXMHNNLHAF-UHFFFAOYSA-N	1	0	469.376	4.394	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(N3CCC([NH+]4CCCC4)CC3)cn2cc1-c1cccc(Cl)c1	ZINC000058592192	563208213	/nfs/dbraw/zinc/20/82/13/563208213.db2.gz	YJZJDEYNSGXRJK-UHFFFAOYSA-N	1	0	496.055	4.011	1	0		JIAFRO
C[NH2+]COc1ccc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OC)c2)cc1OC1CCCC1	ZINC000085626729	560069119	/nfs/dbraw/zinc/06/91/19/560069119.db2.gz	CSYWAQTWVAGVMX-JOCHJYFZSA-N	1	0	471.594	4.163	1	0	biogenic,in-vitro	JIAFRO
O=C1CC[C@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5	ZINC000001554405	560182169	/nfs/dbraw/zinc/18/21/69/560182169.db2.gz	KOXWKZKLXNZQAO-KHUDPXOFSA-N	1	0	459.586	4.183	1	0	in-vitro	JIAFRO
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1	ZINC000001622986	562921670	/nfs/dbraw/zinc/92/16/70/562921670.db2.gz	YPDZCOXYCXOQOH-GDLZYMKVSA-N	1	0	465.601	4.249	1	0		JIAFRO
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[NH2+][C@H]2c1ccccc1	ZINC000003952188	562930743	/nfs/dbraw/zinc/93/07/43/562930743.db2.gz	MIDMGQDYUATQRC-QGCDCVKKSA-N	1	0	459.472	4.057	1	0		JIAFRO
O=C(NCCCC[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)C(F)(F)F	ZINC000005834380	562935287	/nfs/dbraw/zinc/93/52/87/562935287.db2.gz	QEMWHBAKPACNCO-UHFFFAOYSA-N	1	0	477.449	4.169	1	0		JIAFRO
CC[NH+](CC)CCCCn1c(-c2ccccc2)nc2c1nc(C)nc2N(CCOC)CCOC	ZINC000008017489	562938489	/nfs/dbraw/zinc/93/84/89/562938489.db2.gz	OHBVEAHDIDNZKC-UHFFFAOYSA-N	1	0	468.646	4.023	1	0		JIAFRO
CCc1noc(C)c1C(=O)N1CCOc2ccc(C[N@@H+]3CCC[C@@H](C(=O)c4cccnc4)C3)cc2C1	ZINC000012048605	562958888	/nfs/dbraw/zinc/95/88/88/562958888.db2.gz	AXFAPXKDTKSIAV-JOCHJYFZSA-N	1	0	488.588	4.070	1	0		JIAFRO
C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1cccc(C(N)=[NH2+])c1	ZINC000013442382	562963581	/nfs/dbraw/zinc/96/35/81/562963581.db2.gz	YMECJEKTWCOEOU-FYJGNVAPSA-N	1	0	486.956	4.278	1	0		JIAFRO
COc1ccc(C(=O)N(C)C)cc1Oc1nc(Oc2cccc(C(N)=[NH2+])c2)c(F)c(C)c1F	ZINC000013474041	562966644	/nfs/dbraw/zinc/96/66/44/562966644.db2.gz	ZLIFBEQOPADLNO-UHFFFAOYSA-N	1	0	456.449	4.247	1	0		JIAFRO
Cn1cnc(-c2ccc3c(c2)c(C2CC[NH+](CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1	ZINC000013493018	562970175	/nfs/dbraw/zinc/97/01/75/562970175.db2.gz	KNLXBMUXNMBWBW-UHFFFAOYSA-N	1	0	488.567	4.197	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C(C)C)[NH+](C)C)c2=O)c1F	ZINC000013609613	562979114	/nfs/dbraw/zinc/97/91/14/562979114.db2.gz	IUUXBYBDVNIRQO-OAQYLSRUSA-N	1	0	489.538	4.046	1	0		JIAFRO
C[NH+]1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)CC1	ZINC000013778945	562991225	/nfs/dbraw/zinc/99/12/25/562991225.db2.gz	DKRDFSPYRXMVKM-AREMUKBSSA-N	1	0	451.014	4.184	1	0		JIAFRO
CC[C@H](c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000013975189	563004837	/nfs/dbraw/zinc/00/48/37/563004837.db2.gz	ZIYJFJXAZHKQHG-HSZRJFAPSA-N	1	0	492.023	4.448	1	0		JIAFRO
C[NH+](C)CCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NCC(F)(F)F)c(F)c1	ZINC000013981130	563005205	/nfs/dbraw/zinc/00/52/05/563005205.db2.gz	UYUJACMPNPNLMY-UHFFFAOYSA-N	1	0	464.826	4.028	1	0		JIAFRO
c1cc2c(c(Nc3ncnc4cc(OCC[NH+]5CCCC5)cc(OC5CCOCC5)c43)c1)OCO2	ZINC000014949421	563007004	/nfs/dbraw/zinc/00/70/04/563007004.db2.gz	LNJYPLCGMKINCO-UHFFFAOYSA-N	1	0	478.549	4.135	1	0		JIAFRO
CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21	ZINC000014951038	563007237	/nfs/dbraw/zinc/00/72/37/563007237.db2.gz	NPKXHOKPLZTAIT-LSWJPFSZSA-N	1	0	476.646	4.323	1	0		JIAFRO
O[C@H](COc1ccnc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022442314	563016826	/nfs/dbraw/zinc/01/68/26/563016826.db2.gz	AJMXTJYRMRUQNS-VWLOTQADSA-N	1	0	453.586	4.382	1	0		JIAFRO
O[C@H](CNc1ccccc1)CN1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000022926431	563017659	/nfs/dbraw/zinc/01/76/59/563017659.db2.gz	WRCWEDYPROLWQX-AREMUKBSSA-N	1	0	451.561	4.187	1	0		JIAFRO
C[N@H+](CCO)C1CN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)C1	ZINC000022927791	563018024	/nfs/dbraw/zinc/01/80/24/563018024.db2.gz	WMRNTSMKBVMUTC-AREMUKBSSA-N	1	0	490.475	4.052	1	0		JIAFRO
O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000022937399	563019032	/nfs/dbraw/zinc/01/90/32/563019032.db2.gz	YMWBVQMSDARHQG-DHIUTWEWSA-N	1	0	476.402	4.106	1	0		JIAFRO
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(C[NH2+]CCN2CCCCC2)c1	ZINC000023360435	563020045	/nfs/dbraw/zinc/02/00/45/563020045.db2.gz	LBAOHMJIZKSWTK-UHFFFAOYSA-N	1	0	498.027	4.134	1	0		JIAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1OC	ZINC000026011394	563021689	/nfs/dbraw/zinc/02/16/89/563021689.db2.gz	HJJSQZRYWGXDPY-MRXNPFEDSA-N	1	0	480.392	4.234	1	0		JIAFRO
O=C1NCCN1CCC[NH+]1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1	ZINC000026667163	563033024	/nfs/dbraw/zinc/03/30/24/563033024.db2.gz	VAEVQHTXJSLDAA-ISKFKSNPSA-N	1	0	456.993	4.089	1	0		JIAFRO
COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(C)cc1	ZINC000027521835	563045042	/nfs/dbraw/zinc/04/50/42/563045042.db2.gz	WARQBRAPFLKGEM-RVQAHCINSA-N	1	0	455.558	4.123	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4([NH2+]CCF)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000028006734	563054617	/nfs/dbraw/zinc/05/46/17/563054617.db2.gz	HJNCNAIGIZQYNY-FQYQUSJJSA-N	1	0	473.592	4.442	1	0		JIAFRO
O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)C1CC1	ZINC000028100749	563056069	/nfs/dbraw/zinc/05/60/69/563056069.db2.gz	UCWPAESBQKWZMV-JTHBVZDNSA-N	1	0	480.572	4.344	1	0		JIAFRO
O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2sccc21	ZINC000028360993	563061680	/nfs/dbraw/zinc/06/16/80/563061680.db2.gz	FAXXQBXBTVYOEW-UHFFFAOYSA-N	1	0	472.206	4.101	1	0		JIAFRO
Cc1cc(Cl)ccc1-c1ccc(C(=O)N(C)[C@H]2CCN(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)C2)s1	ZINC000028461230	563064597	/nfs/dbraw/zinc/06/45/97/563064597.db2.gz	XWEHIMBNPZBRQG-MOPGFXCFSA-N	1	0	475.058	4.279	1	0		JIAFRO
CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccccc3C(F)(F)F)s2)C1)[C@@H]1CC[N@H+](C)C1	ZINC000028462906	563064743	/nfs/dbraw/zinc/06/47/43/563064743.db2.gz	MFRUFOHSOXJFRJ-SJORKVTESA-N	1	0	494.583	4.336	1	0		JIAFRO
COc1cccc(-c2cn(Cc3c(F)cccc3Cl)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F	ZINC000028476965	563066079	/nfs/dbraw/zinc/06/60/79/563066079.db2.gz	VOLAJFMZWKUZQP-QFIPXVFZSA-N	1	0	497.929	4.366	1	0		JIAFRO
C[N@@H+]1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(I)cc2)c2ccccc12	ZINC000028527099	563068107	/nfs/dbraw/zinc/06/81/07/563068107.db2.gz	OKUUVDKNWDYXIC-KRWDZBQOSA-N	1	0	480.371	4.120	1	0		JIAFRO
CC(C)(C)c1nc(N2CC[NH+](CCCCn3ccc(C4CCC4)nc3=O)CC2)cc(C(F)(F)F)n1	ZINC000028568973	563070219	/nfs/dbraw/zinc/07/02/19/563070219.db2.gz	DSCGNFRKDRFCKO-UHFFFAOYSA-N	1	0	492.590	4.220	1	0		JIAFRO
CCCCCCc1[nH+]c(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000028572191	563071253	/nfs/dbraw/zinc/07/12/53/563071253.db2.gz	HTXPMDYAPLGEGF-UHFFFAOYSA-N	1	0	453.612	4.446	1	0		JIAFRO
CC[NH+](CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3cccc(Cl)c3)CC1=O)C2	ZINC000028649135	563073649	/nfs/dbraw/zinc/07/36/49/563073649.db2.gz	AFQWTQIBSNHRRF-SANMLTNESA-N	1	0	454.058	4.426	1	0		JIAFRO
CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(Cc2cccc(Cl)c2)CC1	ZINC000028714189	563077494	/nfs/dbraw/zinc/07/74/94/563077494.db2.gz	QDWLUINGAXKZIV-UHFFFAOYSA-N	1	0	485.053	4.203	1	0		JIAFRO
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)C(=O)C1	ZINC000028870388	563084148	/nfs/dbraw/zinc/08/41/48/563084148.db2.gz	CXPADAXNOAROAJ-UHFFFAOYSA-N	1	0	465.569	4.101	1	0		JIAFRO
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000028876290	563084485	/nfs/dbraw/zinc/08/44/85/563084485.db2.gz	OBKXULMELCPTCP-SLMMIHQXSA-N	1	0	461.528	4.090	1	0		JIAFRO
[NH3+][C@@H](CC(=O)N1CCc2nc(C(F)(F)F)n(Cc3ccc(F)cc3)c2C1)Cc1cc(F)ccc1F	ZINC000028956710	563088327	/nfs/dbraw/zinc/08/83/27/563088327.db2.gz	PJMGMEOPUAQDQC-GOSISDBHSA-N	1	0	496.455	4.212	1	0		JIAFRO
O=C(N[C@@H](C(=O)N1CCC(C[NH+]2CCCCC2)CC1)c1ccccc1)c1ccc2cc[nH]c2c1	ZINC000028957263	563088436	/nfs/dbraw/zinc/08/84/36/563088436.db2.gz	PHOAARYMDOIQBY-AREMUKBSSA-N	1	0	458.606	4.364	1	0		JIAFRO
O=C(N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1cccnc1	ZINC000029038634	563090842	/nfs/dbraw/zinc/09/08/42/563090842.db2.gz	CXZDAMKDHUXFMW-RUZDIDTESA-N	1	0	483.641	4.473	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@H+]2CCc3cc4nc(C5CC5)oc4cc3CC2)n1C	ZINC000029127422	563095676	/nfs/dbraw/zinc/09/56/76/563095676.db2.gz	XHDPHPBWQCZQAX-UHFFFAOYSA-N	1	0	464.595	4.380	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@@H+]2CCc3nc4cc(C(F)(F)F)ccn4c3CC2)n1C	ZINC000029127318	563095710	/nfs/dbraw/zinc/09/57/10/563095710.db2.gz	KCFSZIDRLPEDRQ-UHFFFAOYSA-N	1	0	491.543	4.028	1	0		JIAFRO
COc1cc(F)c2ccc(NC3CC[NH+](CC4=C[C@H]5CCC[C@@H](C4)N5C(C)=O)CC3)nc2c1	ZINC000029129315	563096690	/nfs/dbraw/zinc/09/66/90/563096690.db2.gz	YVUGHJSCFKMRDF-RTWAWAEBSA-N	1	0	452.574	4.359	1	0		JIAFRO
Cc1cc(NC(=O)N[C@H](C)CC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1	ZINC000029129202	563096715	/nfs/dbraw/zinc/09/67/15/563096715.db2.gz	SPDRJYHRLHGQBR-CTNGQTDRSA-N	1	0	479.604	4.179	1	0		JIAFRO
C[C@H](C[C@@H](C)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1	ZINC000029129925	563096861	/nfs/dbraw/zinc/09/68/61/563096861.db2.gz	YTNCTGOARJJRAX-SBHAEUEKSA-N	1	0	479.604	4.260	1	0		JIAFRO
C[NH+](C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1	ZINC000034804153	563116414	/nfs/dbraw/zinc/11/64/14/563116414.db2.gz	ROWNFEBZZBSCLU-MRXNPFEDSA-N	1	0	453.452	4.294	1	0		JIAFRO
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](C[N@H+]1CC[C@H](O)C1)O2	ZINC000038149713	563132190	/nfs/dbraw/zinc/13/21/90/563132190.db2.gz	LZNGOWRILRYSPJ-OALUTQOASA-N	1	0	495.004	4.007	1	0		JIAFRO
CCn1c(=O)/c(=C/C=C2\Sc3ccc4ccccc4c3N2C)s/c1=C/c1scc(C)[n+]1CC	ZINC000038152043	563132378	/nfs/dbraw/zinc/13/23/78/563132378.db2.gz	INNGADYPULZUDU-JZTLMNBPSA-N	1	0	492.715	4.453	1	0		JIAFRO
CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)[nH+]c3C3CCCCC3)cc2)cc1	ZINC000038156542	563132702	/nfs/dbraw/zinc/13/27/02/563132702.db2.gz	WZXZLPJHIZMBJW-UHFFFAOYSA-N	1	0	451.596	4.371	1	0		JIAFRO
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=[NH+]CCN5)CC4)cc2)CC3)cc1	ZINC000040390770	563137768	/nfs/dbraw/zinc/13/77/68/563137768.db2.gz	SWYMPALKMZOHLN-UHFFFAOYSA-N	1	0	495.505	4.136	1	0		JIAFRO
Cc1cccc(C(=O)N2CCC([NH+]3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)CC2)c1	ZINC000040407834	563140374	/nfs/dbraw/zinc/14/03/74/563140374.db2.gz	ZSFAOJRFJGSUDK-UHFFFAOYSA-N	1	0	452.986	4.233	1	0		JIAFRO
[NH3+]C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1	ZINC000040429080	563143263	/nfs/dbraw/zinc/14/32/63/563143263.db2.gz	KEBMSGAJMPWLNS-AWEZNQCLSA-N	1	0	473.371	4.493	1	0		JIAFRO
COc1cc(-n2nnc3ccc(Oc4ccccc4)cc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000040567861	563146104	/nfs/dbraw/zinc/14/61/04/563146104.db2.gz	LAMKTMOVTMMZSL-UHFFFAOYSA-N	1	0	458.518	4.056	1	0		JIAFRO
COc1cc(-n2cnc3cc(-c4ccc(N)cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000040575363	563146379	/nfs/dbraw/zinc/14/63/79/563146379.db2.gz	HJPAQFKIYPGCPZ-UHFFFAOYSA-N	1	0	462.575	4.180	1	0		JIAFRO
C[NH2+]C1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1	ZINC000040866469	563151113	/nfs/dbraw/zinc/15/11/13/563151113.db2.gz	ASNFXLPQFSSBOK-UHFFFAOYSA-N	1	0	456.468	4.311	1	0		JIAFRO
O=C(Cc1ccccn1)Nc1ccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]c4ccccc4c32)cc1	ZINC000040875815	563152298	/nfs/dbraw/zinc/15/22/98/563152298.db2.gz	AGRJTCRVGVQVTB-DEOSSOPVSA-N	1	0	494.595	4.469	1	0		JIAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCOCC2)c2ccccc2)CC1	ZINC000040913545	563154902	/nfs/dbraw/zinc/15/49/02/563154902.db2.gz	XZMVBLCUSFQVNY-CPJSRVTESA-N	1	0	467.658	4.410	1	0		JIAFRO
COc1ccc(N(C(=O)c2ccccc2)[C@H](C(=O)N[C@H](C)C[NH+](C)C)c2ccccc2F)c(OC)c1	ZINC000040914052	563155128	/nfs/dbraw/zinc/15/51/28/563155128.db2.gz	MZAHUXATQGDNPE-BCHFMIIMSA-N	1	0	493.579	4.297	1	0		JIAFRO
CCC[N@H+](Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040915964	563155527	/nfs/dbraw/zinc/15/55/27/563155527.db2.gz	NUDQSMCLRFXLKF-NRFANRHFSA-N	1	0	465.342	4.119	1	0		JIAFRO
C[NH+](C)CCCOc1ccccc1CN1CC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1	ZINC000040934703	563157578	/nfs/dbraw/zinc/15/75/78/563157578.db2.gz	FRMOJTWWQMBDBU-IBGZPJMESA-N	1	0	450.410	4.328	1	0		JIAFRO
COc1cccc2c1O[C@@H](c1ccc(OC3CC[NH+](C4CCC4)CC3)cc1)[C@@H](C)S2(=O)=O	ZINC000043018530	563164773	/nfs/dbraw/zinc/16/47/73/563164773.db2.gz	NCWCOECPJGISBA-MZNJEOGPSA-N	1	0	457.592	4.387	1	0		JIAFRO
CCC[NH2+]Cc1ccc(-c2ccc(CN(CCOC)C(=O)c3nn(-c4ccccc4)nc3C)cc2)nc1	ZINC000045192010	563176027	/nfs/dbraw/zinc/17/60/27/563176027.db2.gz	UBNCDHKHJBBUIB-UHFFFAOYSA-N	1	0	498.631	4.426	1	0		JIAFRO
C[NH+]1CCC(Oc2ccc(Nc3nccc(NC[C@H](O)c4ccccc4)n3)cc2Cl)CC1	ZINC000045201460	563178142	/nfs/dbraw/zinc/17/81/42/563178142.db2.gz	KHBKDGYHBCZHFV-NRFANRHFSA-N	1	0	453.974	4.492	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2c1	ZINC000045230067	563181046	/nfs/dbraw/zinc/18/10/46/563181046.db2.gz	ZIAFPPWSTNBKDA-QHCPKHFHSA-N	1	0	474.388	4.478	1	0		JIAFRO
Cc1cccc(NC(=O)Nc2ccc(I)c(OCC[NH+](C)C)c2)c1C	ZINC000045317786	563187602	/nfs/dbraw/zinc/18/76/02/563187602.db2.gz	QJSBMXSHKMNLTK-UHFFFAOYSA-N	1	0	453.324	4.492	1	0		JIAFRO
COCc1cc(NC(=O)OC[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)n(C)n1	ZINC000045369179	563193588	/nfs/dbraw/zinc/19/35/88/563193588.db2.gz	ZKQPJCFASKEYAL-IBGZPJMESA-N	1	0	479.562	4.434	1	0		JIAFRO
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1	ZINC000049013729	563197093	/nfs/dbraw/zinc/19/70/93/563197093.db2.gz	YFRSUTAFXANULP-MHZLTWQESA-N	1	0	454.574	4.244	1	0		JIAFRO
CNC(=O)Cn1c2ccccc2n(C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c1=O	ZINC000049110807	563202251	/nfs/dbraw/zinc/20/22/51/563202251.db2.gz	NLYVZLTWGVINDD-UHFFFAOYSA-N	1	0	454.574	4.053	1	0		JIAFRO
COc1cc2c(cc1N1C[C@H](C)[NH2+]C(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2	ZINC000052637056	563204868	/nfs/dbraw/zinc/20/48/68/563204868.db2.gz	KLDVNFOSTFVUQM-KRWDZBQOSA-N	1	0	498.674	4.147	1	0		JIAFRO
O[C@@H]1C[C@H]2CCCN(C/C=C/I)[C@@H]2C[C@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000053156943	563205059	/nfs/dbraw/zinc/20/50/59/563205059.db2.gz	CBDLIWLUTNCDTQ-WMCIRHBQSA-N	1	0	480.434	4.419	1	0		JIAFRO
CN1CC[NH+](C2(CN(Cc3cc4ccccc4n(C)c3=O)C(=O)C3CCCCC3)CCCCC2)CC1	ZINC000058506257	563206733	/nfs/dbraw/zinc/20/67/33/563206733.db2.gz	PJVMTTZJMVQBDL-UHFFFAOYSA-N	1	0	492.708	4.398	1	0		JIAFRO
O=C(c1ccc(-c2ccc3c(c2)CCN(CC[NH+]2CCCC2)C3=O)cc1Cl)N1CCCC1	ZINC000059112839	563208841	/nfs/dbraw/zinc/20/88/41/563208841.db2.gz	TYGMGAZPXWLANI-UHFFFAOYSA-N	1	0	451.998	4.337	1	0		JIAFRO
COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](c3ccccn3)c3ccccc3OC)CC2)cc1	ZINC000061905621	563210370	/nfs/dbraw/zinc/21/03/70/563210370.db2.gz	GPQAVRQDWHJGHB-HHHXNRCGSA-N	1	0	475.589	4.095	3	0		JIAFRO
Cc1ccc([C@H]2[NH2+][C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1	ZINC000061921222	563210986	/nfs/dbraw/zinc/21/09/86/563210986.db2.gz	CUASZZDBCCUFLL-ACXCVDCASA-N	1	0	499.655	4.382	3	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc([18F])nc3)cc2)CC1	ZINC000100066153	581096081	/nfs/dbraw/zinc/09/60/81/581096081.db2.gz	XWRCSVSWZWMHPY-GLOFJIOZSA-N	1	0	461.572	4.229	1	0		JIAFRO
Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000008597084	526794282	/nfs/dbraw/zinc/79/42/82/526794282.db2.gz	HBWPRNBWNBWLJA-UHFFFAOYSA-N	1	0	465.573	4.303	1	0		JIAFRO
C[NH2+]CCC(=O)O/C=C1\CC[C@H]2[C@@H](C(=O)C[C@@H]3C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]23C)[C@H]1C	ZINC000085491537	560075177	/nfs/dbraw/zinc/07/51/77/560075177.db2.gz	IKKLVQWYZKTIQO-VTWSJQETSA-N	1	0	491.669	4.173	1	0	biogenic,in-vitro	JIAFRO
O=C(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1nsc2ccccc21	ZINC000001555090	562921457	/nfs/dbraw/zinc/92/14/57/562921457.db2.gz	BVKLJQKPEWBBEW-UHFFFAOYSA-N	1	0	451.621	4.238	1	0		JIAFRO
CC(C)COC(=O)CNC(=O)[C@H](Cc1ccccc1)C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1	ZINC000003782355	562927809	/nfs/dbraw/zinc/92/78/09/562927809.db2.gz	MQZOZIODQPLFRF-AAEPNQCFSA-N	1	0	480.649	4.166	1	0		JIAFRO
COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1	ZINC000003948854	562930674	/nfs/dbraw/zinc/93/06/74/562930674.db2.gz	SRUSMBPQXNKIIG-HSZRJFAPSA-N	1	0	457.534	4.278	1	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O	ZINC000008597202	562944657	/nfs/dbraw/zinc/94/46/57/562944657.db2.gz	FZZFCTTYZHUWGH-UMSFTDKQSA-N	1	0	475.614	4.085	1	0		JIAFRO
Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(-c5ccccc5)cc4)CC3)O2)n(C)n1	ZINC000011996009	562958326	/nfs/dbraw/zinc/95/83/26/562958326.db2.gz	QRYAIDHPOPAKIS-RUZDIDTESA-N	1	0	458.606	4.339	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4ncc(NCc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013487525	562967869	/nfs/dbraw/zinc/96/78/69/562967869.db2.gz	SEGZUCCHONUCHO-QVDUQQMDSA-N	1	0	481.596	4.098	1	0		JIAFRO
CCCOc1cc(Cc2c(N)nc(N)[nH+]c2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1	ZINC000013532938	562972370	/nfs/dbraw/zinc/97/23/70/562972370.db2.gz	AASOHLRCOMFYBT-UHFFFAOYSA-N	1	0	482.581	4.188	1	0		JIAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cc(C(F)(F)F)ccc3F)n2)cc1	ZINC000013538031	562972839	/nfs/dbraw/zinc/97/28/39/562972839.db2.gz	QYNHHEWCMHMCIH-INIZCTEOSA-N	1	0	465.451	4.423	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[NH2+]C3CCCC3)c2=O)c1	ZINC000013553296	562973294	/nfs/dbraw/zinc/97/32/94/562973294.db2.gz	FZFSCDONZGYLTG-KRWDZBQOSA-N	1	0	483.559	4.414	1	0		JIAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1cc(-c2ccc(Br)cc2)cnc1[C@@H]3O5	ZINC000013559697	562975008	/nfs/dbraw/zinc/97/50/08/562975008.db2.gz	VFSKBAPCGVOKRI-IFKAHUTRSA-N	1	0	491.385	4.136	1	0		JIAFRO
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(C)cc1	ZINC000013777681	562991145	/nfs/dbraw/zinc/99/11/45/562991145.db2.gz	WARQBRAPFLKGEM-QQXGHWHYSA-N	1	0	455.558	4.123	1	0		JIAFRO
Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(c2ccccc2)c2ccccc2)c1C	ZINC000013779043	562991304	/nfs/dbraw/zinc/99/13/04/562991304.db2.gz	HSMFYEJVQNFBSX-AHKZPQOWSA-N	1	0	455.602	4.070	1	0		JIAFRO
COc1ccc(NC(=O)N2CC[C@@H](c3c[nH]c4ccc(F)cc43)C2)cc1N1CC[NH+](C)CC1	ZINC000013806216	562995151	/nfs/dbraw/zinc/99/51/51/562995151.db2.gz	BMVCAMBJKNURKZ-QGZVFWFLSA-N	1	0	451.546	4.089	1	0		JIAFRO
C[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCC1	ZINC000013863712	563003562	/nfs/dbraw/zinc/00/35/62/563003562.db2.gz	NFYHRIITTGWAQV-JXFKEZNVSA-N	1	0	470.441	4.468	1	0		JIAFRO
C[C@H](C[NH+]1CCN(CC(F)(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000022931035	563018446	/nfs/dbraw/zinc/01/84/46/563018446.db2.gz	GRSJCQNPOIIGRR-HXUWFJFHSA-N	1	0	464.564	4.348	1	0		JIAFRO
CN1CC[NH+](CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(N)nc3n2)CC1	ZINC000023357748	563020108	/nfs/dbraw/zinc/02/01/08/563020108.db2.gz	UKNJCSLSBCLQMO-UHFFFAOYSA-N	1	0	460.413	4.020	1	0		JIAFRO
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH2+]CCOc1ccc(C=C3SC(=O)NC3=O)cc1)O2	ZINC000025966185	563020554	/nfs/dbraw/zinc/02/05/54/563020554.db2.gz	REZLHJHWHCIPJL-AWNSBBFMSA-N	1	0	482.602	4.394	1	0		JIAFRO
COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cc3nc(-c4cccs4)c[nH]3)cc2)cc1OC	ZINC000026015365	563021767	/nfs/dbraw/zinc/02/17/67/563021767.db2.gz	YLHWGLFMHQLDMX-NRFANRHFSA-N	1	0	493.629	4.318	1	0		JIAFRO
COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Cc3nc(-c4cccs4)c[nH]3)cc2)cc1OC	ZINC000026015358	563021780	/nfs/dbraw/zinc/02/17/80/563021780.db2.gz	YLHWGLFMHQLDMX-OAQYLSRUSA-N	1	0	493.629	4.318	1	0		JIAFRO
COc1ccc(C(=O)Nc2ccccc2NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000026176417	563023541	/nfs/dbraw/zinc/02/35/41/563023541.db2.gz	WCTNXYFGWOEMDP-UHFFFAOYSA-N	1	0	459.550	4.381	1	0		JIAFRO
C[NH+]1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1	ZINC000026571905	563029997	/nfs/dbraw/zinc/02/99/97/563029997.db2.gz	RLDKSMWNRZTDIS-VWLOTQADSA-N	1	0	471.070	4.306	1	0		JIAFRO
CCc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC	ZINC000026830486	563036230	/nfs/dbraw/zinc/03/62/30/563036230.db2.gz	OWEBPOZOUHRVAW-RPLLCQBOSA-N	1	0	482.646	4.496	1	0		JIAFRO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccccc1)c1ccc(I)cc1)[N@@H+]2C	ZINC000027203598	563041558	/nfs/dbraw/zinc/04/15/58/563041558.db2.gz	YNLQRXLPKBOEEW-WIYBCGNWSA-N	1	0	491.369	4.422	1	0		JIAFRO
CC[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)C1=O	ZINC000027206172	563041681	/nfs/dbraw/zinc/04/16/81/563041681.db2.gz	MNZKKAABVMTCFU-DHIUTWEWSA-N	1	0	462.590	4.478	1	0		JIAFRO
O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)C1CCCCC1	ZINC000027644017	563048197	/nfs/dbraw/zinc/04/81/97/563048197.db2.gz	XOQQNLADSWFUQE-UHFFFAOYSA-N	1	0	472.077	4.394	1	0		JIAFRO
COc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1	ZINC000027646888	563048399	/nfs/dbraw/zinc/04/83/99/563048399.db2.gz	FQIGDOFUIUFYKS-GVOFKGSHSA-N	1	0	484.644	4.407	1	0		JIAFRO
[NH3+]CCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O	ZINC000027881533	563052733	/nfs/dbraw/zinc/05/27/33/563052733.db2.gz	DKSCZFUABBXMJO-UHFFFAOYSA-N	1	0	468.601	4.094	1	0		JIAFRO
O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)C1CC1	ZINC000028087014	563055517	/nfs/dbraw/zinc/05/55/17/563055517.db2.gz	OYPWCLNPRFBHLF-FYYLOGMGSA-N	1	0	480.572	4.344	1	0		JIAFRO
O=C1c2ccccc2C(=O)N1CCCn1c2cc(Cl)c(Cl)cc2nc1C1CC[NH2+]CC1	ZINC000028228273	563058164	/nfs/dbraw/zinc/05/81/64/563058164.db2.gz	DMJDVVMOXNNEKU-UHFFFAOYSA-N	1	0	457.361	4.496	1	0		JIAFRO
[NH2+]=C(c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)c(F)c1)N1CCCC1	ZINC000028231466	563058276	/nfs/dbraw/zinc/05/82/76/563058276.db2.gz	CWEIGYKXFPMECB-UHFFFAOYSA-N	1	0	463.904	4.281	1	0		JIAFRO
CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CC[N@H+](C)C4)C3)s2)cc1	ZINC000028458884	563064419	/nfs/dbraw/zinc/06/44/19/563064419.db2.gz	DTPHNKGJCJVBSM-YADHBBJMSA-N	1	0	468.667	4.441	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)C1	ZINC000028462609	563064749	/nfs/dbraw/zinc/06/47/49/563064749.db2.gz	XNCXMOJZOJYPBA-RTBURBONSA-N	1	0	494.583	4.336	1	0		JIAFRO
CC(C)(C)c1nc(N2CC[NH+](CCCCN3C(=O)COc4ccccc43)CC2)cc(C(F)(F)F)n1	ZINC000028568153	563070068	/nfs/dbraw/zinc/07/00/68/563070068.db2.gz	FPIUKAAHOYRXRK-UHFFFAOYSA-N	1	0	491.558	4.121	1	0		JIAFRO
Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(C(F)(F)F)n2C)CC3)no1	ZINC000028712479	563077041	/nfs/dbraw/zinc/07/70/41/563077041.db2.gz	UOCMXNLGBQWJPG-UHFFFAOYSA-N	1	0	451.518	4.380	1	0		JIAFRO
Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(C4CCOCC4)n2C)CC3)no1	ZINC000028712494	563077057	/nfs/dbraw/zinc/07/70/57/563077057.db2.gz	TVMNFBNOOMKBOO-UHFFFAOYSA-N	1	0	467.639	4.256	1	0		JIAFRO
COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(c5nccs5)CC4)ccc32)cc1	ZINC000028818145	563080043	/nfs/dbraw/zinc/08/00/43/563080043.db2.gz	WURDXGJSSCNLKT-AREMUKBSSA-N	1	0	478.662	4.320	1	0		JIAFRO
FC(F)(F)c1ccccc1O[C@H](c1cccc(I)c1)[C@H]1C[NH2+]CCO1	ZINC000028881217	563084737	/nfs/dbraw/zinc/08/47/37/563084737.db2.gz	SQWQWSORIRRKHB-IAGOWNOFSA-N	1	0	463.237	4.419	1	0		JIAFRO
C[NH+]1CCC(C2CCN(C(=O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)c3ccccc3)CC2)CC1	ZINC000028957248	563088459	/nfs/dbraw/zinc/08/84/59/563088459.db2.gz	IYZXLUOQXHFASQ-AREMUKBSSA-N	1	0	458.606	4.219	1	0		JIAFRO
CCc1nc(-c2ccc(CC[NH2+]C[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1	ZINC000028958928	563088659	/nfs/dbraw/zinc/08/86/59/563088659.db2.gz	SKITYPZQTWAIGC-NRFANRHFSA-N	1	0	480.055	4.263	1	0		JIAFRO
O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCC[C@H](c2ccccc2)[C@H]1C[NH+]1CCCC1	ZINC000029044676	563092276	/nfs/dbraw/zinc/09/22/76/563092276.db2.gz	STALPJWOKWGXGL-IFMALSPDSA-N	1	0	453.970	4.119	1	0		JIAFRO
C[C@@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@H](C)[NH2+]1	ZINC000029124735	563094508	/nfs/dbraw/zinc/09/45/08/563094508.db2.gz	YHAWWGXBDFCGFT-GASCZTMLSA-N	1	0	463.028	4.451	1	0		JIAFRO
CCc1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1	ZINC000029129203	563096659	/nfs/dbraw/zinc/09/66/59/563096659.db2.gz	CLXQASNQVOBRFA-NRFANRHFSA-N	1	0	479.604	4.045	1	0		JIAFRO
O=C(NCCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000029132737	563097453	/nfs/dbraw/zinc/09/74/53/563097453.db2.gz	KMWQLGXLIWYWKL-UHFFFAOYSA-N	1	0	472.010	4.085	1	0		JIAFRO
c1ccc(Cn2c(NC3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)nc3cccnc32)cc1	ZINC000029568352	563107554	/nfs/dbraw/zinc/10/75/54/563107554.db2.gz	YXCDBSUEWQVLRU-QFIPXVFZSA-N	1	0	455.562	4.196	1	0		JIAFRO
CC1(C)CC(=O)N(CCCC[NH+]2CCN(c3nccc4sc(Br)cc43)CC2)C(=O)C1	ZINC000034186869	563112407	/nfs/dbraw/zinc/11/24/07/563112407.db2.gz	ZJYWNDXQKAEZJP-UHFFFAOYSA-N	1	0	493.471	4.136	1	0		JIAFRO
C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CC[NH2+]1	ZINC000034884618	563117294	/nfs/dbraw/zinc/11/72/94/563117294.db2.gz	TXWLNVBMNWSDCA-NRFANRHFSA-N	1	0	487.623	4.398	1	0		JIAFRO
CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)n1	ZINC000036089333	563121996	/nfs/dbraw/zinc/12/19/96/563121996.db2.gz	GTLZGWIJAYPBBN-UHFFFAOYSA-N	1	0	491.602	4.444	1	0		JIAFRO
CNc1nccc(-c2ccc(C(=O)N[C@H](CC[NH3+])Cc3ccc(Cl)cc3Cl)s2)n1	ZINC000036144129	563122734	/nfs/dbraw/zinc/12/27/34/563122734.db2.gz	HSTXBCBDIYGWDE-CQSZACIVSA-N	1	0	450.395	4.244	1	0		JIAFRO
CC[C@@H](c1nn2cccc2c(=O)n1Cc1ccccc1)N(CC1CC[NH2+]CC1)C(=O)c1ccc(C)cc1	ZINC000036184711	563123670	/nfs/dbraw/zinc/12/36/70/563123670.db2.gz	UHJMXECQFLCYRW-SANMLTNESA-N	1	0	497.643	4.446	1	0		JIAFRO
CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](C)C1	ZINC000036351490	563126881	/nfs/dbraw/zinc/12/68/81/563126881.db2.gz	GMHSPIYMTPCTQP-PKTZIBPZSA-N	1	0	488.554	4.275	1	0		JIAFRO
Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)C[NH2+]CCO)c(C)c2)c2c1CC(C)(C)CC2	ZINC000036478068	563130398	/nfs/dbraw/zinc/13/03/98/563130398.db2.gz	BJXYKQSYVBGLCS-OAQYLSRUSA-N	1	0	473.679	4.325	1	0		JIAFRO
COc1ccc2ncc(Cl)c(CCN3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1	ZINC000038751825	563135353	/nfs/dbraw/zinc/13/53/53/563135353.db2.gz	YHBUEENPMAAIGP-UHFFFAOYSA-N	1	0	498.052	4.133	1	0		JIAFRO
CC[C@H](c1nc2snc(C)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000038749518	563135369	/nfs/dbraw/zinc/13/53/69/563135369.db2.gz	NTQOGRLUBILFEL-JOCHJYFZSA-N	1	0	489.645	4.460	1	0		JIAFRO
CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cn1	ZINC000040403921	563139819	/nfs/dbraw/zinc/13/98/19/563139819.db2.gz	YHGLLYUUPOBKQI-UHFFFAOYSA-N	1	0	457.321	4.175	1	0		JIAFRO
CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(Cl)cc2Cl)CC1	ZINC000040859975	563149874	/nfs/dbraw/zinc/14/98/74/563149874.db2.gz	KXLCDKFSKSDYSO-GGAORHGYSA-N	1	0	464.437	4.292	1	0		JIAFRO
C[NH+](C)C12C[C@@H](OC(=O)CN3CCC(O)CC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000040917541	563155881	/nfs/dbraw/zinc/15/58/81/563155881.db2.gz	PZDNXCCXVDVOLA-IEVNGSTESA-N	1	0	462.634	4.037	1	0		JIAFRO
C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]CCO)cc1Cl	ZINC000043066825	563166070	/nfs/dbraw/zinc/16/60/70/563166070.db2.gz	PPPSOHXHWPYJTF-CQSZACIVSA-N	1	0	470.982	4.037	1	0		JIAFRO
C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]CCCO)cc1Cl	ZINC000043066554	563166074	/nfs/dbraw/zinc/16/60/74/563166074.db2.gz	NNKVMZWWDDPOFU-OAHLLOKOSA-N	1	0	485.009	4.427	1	0		JIAFRO
Nc1[nH+]ccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc21	ZINC000043169701	563168022	/nfs/dbraw/zinc/16/80/22/563168022.db2.gz	AHEIEXXGHCSZMY-XMMPIXPASA-N	1	0	467.529	4.391	1	0		JIAFRO
COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)c(C)c1	ZINC000045201694	563178275	/nfs/dbraw/zinc/17/82/75/563178275.db2.gz	MOFXRIYSMVALNZ-UHFFFAOYSA-N	1	0	493.673	4.333	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCCCC1	ZINC000045286908	563184141	/nfs/dbraw/zinc/18/41/41/563184141.db2.gz	QXNFPOMRKODYSK-IZZNHLLZSA-N	1	0	482.575	4.008	1	0	in-vitro	JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4cccc(-c5cc(C)no5)c4)CC3)c2c1	ZINC000045302605	563186475	/nfs/dbraw/zinc/18/64/75/563186475.db2.gz	UEOJUYQHFVVLLO-SANMLTNESA-N	1	0	486.572	4.135	1	0		JIAFRO
COc1ccc2nccc(NC(=O)OC3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1	ZINC000045303107	563187031	/nfs/dbraw/zinc/18/70/31/563187031.db2.gz	RXQMRVZXNNTYDD-UHFFFAOYSA-N	1	0	493.589	4.332	1	0		JIAFRO
C[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)CCCC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1	ZINC000045321237	563188160	/nfs/dbraw/zinc/18/81/60/563188160.db2.gz	KZPLVUDQYHXKFQ-FXAWDEMLSA-N	1	0	462.619	4.405	1	0		JIAFRO
CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CC[NH2+]CC5)c4)cnn3c2N)cc1	ZINC000049035549	563198743	/nfs/dbraw/zinc/19/87/43/563198743.db2.gz	PDQSBODXIIIHSM-UHFFFAOYSA-N	1	0	485.592	4.260	1	0		JIAFRO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cs1)C1CCCCC1	ZINC000049068337	563200940	/nfs/dbraw/zinc/20/09/40/563200940.db2.gz	MMDIHBJNYISZAS-HSQYWUDLSA-N	1	0	454.640	4.147	1	0		JIAFRO
CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c(C)o2)cc1	ZINC000004101464	523858731	/nfs/dbraw/zinc/85/87/31/523858731.db2.gz	BYKUNCNAAUUATE-UHFFFAOYSA-N	1	0	473.621	4.168	3	0		JIAFRO
C[NH2+][C@H]1[C@H](C)O[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)C[C@@H]1OC	ZINC000095099518	560062341	/nfs/dbraw/zinc/06/23/41/560062341.db2.gz	VPLNNEMLBWLRFQ-KOXZSUMHSA-N	1	0	491.713	4.472	1	0	biogenic,in-vitro	JIAFRO
COc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2)cc1N1CC[NH+](C)CC1	ZINC000000835624	562919199	/nfs/dbraw/zinc/91/91/99/562919199.db2.gz	DGLGRPPFBPHHJR-UHFFFAOYSA-N	1	0	486.616	4.377	1	0		JIAFRO
COc1cc2oc(=O)c(C)c(C)c2cc1OCCC[NH+]1CCN(c2ccccc2OC)CC1	ZINC000001540003	562920730	/nfs/dbraw/zinc/92/07/30/562920730.db2.gz	FQELZLMTAPJJOL-UHFFFAOYSA-N	1	0	452.551	4.018	1	0	in-man	JIAFRO
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cccc(Br)c3)cc3c2cccc3O)c1	ZINC000003831880	562929532	/nfs/dbraw/zinc/92/95/32/562929532.db2.gz	WYVSCRWJUBTFKJ-UHFFFAOYSA-N	1	0	477.362	4.372	1	0		JIAFRO
CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cccn1-c1ccccn1)CC2	ZINC000011783731	562957603	/nfs/dbraw/zinc/95/76/03/562957603.db2.gz	RSVXQCTWELJESU-SXOMAYOGSA-N	1	0	482.584	4.499	1	0		JIAFRO
CC(C)c1cc(C(=O)N2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)[nH]n1	ZINC000011912080	562957870	/nfs/dbraw/zinc/95/78/70/562957870.db2.gz	MWBJGVHVKXDAGS-UHFFFAOYSA-N	1	0	475.593	4.006	1	0		JIAFRO
CC[C@@]1(C2CC[NH+](Cc3cccc(Cl)c3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O	ZINC000012020896	562958421	/nfs/dbraw/zinc/95/84/21/562958421.db2.gz	UIJFRSSIKKOWIC-RLWLMLJZSA-N	1	0	483.996	4.093	1	0		JIAFRO
CC[C@@]1(C2CC[NH+](Cc3ccccc3Cl)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O	ZINC000012028452	562958617	/nfs/dbraw/zinc/95/86/17/562958617.db2.gz	MRVZDMKDSISAJS-FNZWTVRRSA-N	1	0	483.996	4.093	1	0		JIAFRO
Cc1ccccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+]	ZINC000013489952	562969078	/nfs/dbraw/zinc/96/90/78/562969078.db2.gz	UXJLFDVGMYBSCE-ONYUMWGVSA-N	1	0	472.633	4.178	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1	ZINC000013526221	562971560	/nfs/dbraw/zinc/97/15/60/562971560.db2.gz	VUDZLQDQARJUEH-UHFFFAOYSA-N	1	0	469.585	4.239	1	0		JIAFRO
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1	ZINC000013529013	562971978	/nfs/dbraw/zinc/97/19/78/562971978.db2.gz	YQLGIKXRTZJNLK-RUZDIDTESA-N	1	0	459.586	4.225	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[NH2+]CC(C)C)c2=O)c1	ZINC000013553299	562973229	/nfs/dbraw/zinc/97/32/29/562973229.db2.gz	CGNXZWZVWKPVAS-QGZVFWFLSA-N	1	0	471.548	4.127	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013559709	562975060	/nfs/dbraw/zinc/97/50/60/562975060.db2.gz	HGXDYBCPHNQUIY-FQYQUSJJSA-N	1	0	452.554	4.153	1	0		JIAFRO
COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc54)[C@@H](C)C3)cc21	ZINC000013587198	562976907	/nfs/dbraw/zinc/97/69/07/562976907.db2.gz	MAOCCUAKRQNENS-BZSNNMDCSA-N	1	0	493.629	4.498	1	0		JIAFRO
NC(=[NH2+])CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F	ZINC000013740065	562986681	/nfs/dbraw/zinc/98/66/81/562986681.db2.gz	YIHPBANAYPNMTP-UHFFFAOYSA-N	1	0	490.433	4.479	1	0		JIAFRO
O=C1[C@@H](CC(F)(F)F)SCN1CCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013759389	562989239	/nfs/dbraw/zinc/98/92/39/562989239.db2.gz	UCUYUQLHQLTCSM-QGZVFWFLSA-N	1	0	458.575	4.052	1	0		JIAFRO
Nc1c2ccccc2sc1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013760428	562989406	/nfs/dbraw/zinc/98/94/06/562989406.db2.gz	XZSJDMCGNCINRX-UHFFFAOYSA-N	1	0	465.648	4.425	1	0		JIAFRO
COC[C@H](NC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000013802542	562994540	/nfs/dbraw/zinc/99/45/40/562994540.db2.gz	ORVWUZVNKPDYHT-MHZLTWQESA-N	1	0	458.610	4.123	1	0		JIAFRO
CC(=O)Nc1nc2c(cccc2Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)s1	ZINC000014974174	563009994	/nfs/dbraw/zinc/00/99/94/563009994.db2.gz	FNDZZTHNIWOHSS-UHFFFAOYSA-N	1	0	460.563	4.159	1	0		JIAFRO
COCC[NH+]=C1N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1	ZINC000015937395	563012352	/nfs/dbraw/zinc/01/23/52/563012352.db2.gz	VWURODAJFFFZOZ-NRFANRHFSA-N	1	0	472.383	4.045	3	0		JIAFRO
C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccnc4)C[C@H]23)CC1	ZINC000022935424	563018959	/nfs/dbraw/zinc/01/89/59/563018959.db2.gz	WDOIVPSCZBXMFR-YMVVMYQSSA-N	1	0	486.035	4.466	1	0		JIAFRO
COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CC[NH+]4CCCCC4)CC3)sc1CCO2	ZINC000026490219	563028522	/nfs/dbraw/zinc/02/85/22/563028522.db2.gz	CHOKKSOSDHTSJY-UHFFFAOYSA-N	1	0	484.666	4.280	1	0		JIAFRO
CC[NH+](CC)CCCn1nc2n(c1=O)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2	ZINC000027327872	563043038	/nfs/dbraw/zinc/04/30/38/563043038.db2.gz	XQEJIKHIAPCVJP-UHFFFAOYSA-N	1	0	458.393	4.424	1	0		JIAFRO
CCOC(=O)CN(Cc1ccccc1)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000027521492	563045031	/nfs/dbraw/zinc/04/50/31/563045031.db2.gz	PBZZRDPUNAOUCX-LVZFUZTISA-N	1	0	499.567	4.185	1	0		JIAFRO
NC1=[NH+]CCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000028014765	563054997	/nfs/dbraw/zinc/05/49/97/563054997.db2.gz	PQVFCLMXCUWYFV-UHFFFAOYSA-N	1	0	483.359	4.233	1	0		JIAFRO
C[N@H+](CCO)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000028089196	563055614	/nfs/dbraw/zinc/05/56/14/563055614.db2.gz	IZXOLASPDBAOGH-UHFFFAOYSA-N	1	0	473.360	4.317	1	0		JIAFRO
CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C1=[NH+]CCN1	ZINC000028092508	563055696	/nfs/dbraw/zinc/05/56/96/563055696.db2.gz	LKRLIBXSIGYTGP-UHFFFAOYSA-N	1	0	497.386	4.284	1	0		JIAFRO
CC(C)[NH2+]CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C	ZINC000028132421	563057420	/nfs/dbraw/zinc/05/74/20/563057420.db2.gz	UICMGYPFRIZNED-XMMPIXPASA-N	1	0	467.610	4.214	1	0		JIAFRO
CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1coc2ccc(C(N)=[NH2+])cc21	ZINC000028136136	563057585	/nfs/dbraw/zinc/05/75/85/563057585.db2.gz	ALQRDVOSAXNUHX-UNWVZKJWSA-N	1	0	461.562	4.281	1	0		JIAFRO
CC(C)C[C@@H]([NH3+])C(=O)NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000028456715	563064169	/nfs/dbraw/zinc/06/41/69/563064169.db2.gz	UUYQRFUJCWIBQP-RUZDIDTESA-N	1	0	471.592	4.358	1	0		JIAFRO
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)CC2)c1	ZINC000028470255	563065339	/nfs/dbraw/zinc/06/53/39/563065339.db2.gz	PUFGODVTZHZYIQ-UHFFFAOYSA-N	1	0	473.598	4.357	1	0		JIAFRO
O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2ccccc2)C1	ZINC000028523719	563066944	/nfs/dbraw/zinc/06/69/44/563066944.db2.gz	NSCGBJOIKWLWMZ-ZWEKWIFMSA-N	1	0	487.648	4.268	1	0		JIAFRO
O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ncccc1[C@H](O)c1ccccc1	ZINC000028569077	563070292	/nfs/dbraw/zinc/07/02/92/563070292.db2.gz	SBEZGUMRMQPPQV-HHHXNRCGSA-N	1	0	455.602	4.263	1	0		JIAFRO
CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)NCc3ccccc3)CC2)cc(C(F)(F)F)n1	ZINC000028571925	563071117	/nfs/dbraw/zinc/07/11/17/563071117.db2.gz	WPLABUPGUVWYRA-UHFFFAOYSA-N	1	0	492.590	4.195	1	0		JIAFRO
C[C@H](NC(=O)Nc1ccc2c(Cl)c(OCCSC(N)=[NH2+])oc(=O)c2c1)c1ccccc1	ZINC000028757992	563077964	/nfs/dbraw/zinc/07/79/64/563077964.db2.gz	BIQOZGUOXPUBER-LBPRGKRZSA-N	1	0	460.943	4.335	1	0		JIAFRO
Cc1c(C[NH2+]C[C@@H](O)c2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O	ZINC000028822493	563081182	/nfs/dbraw/zinc/08/11/82/563081182.db2.gz	ICXWYBQVSJDEDL-OAQYLSRUSA-N	1	0	496.032	4.315	1	0		JIAFRO
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OC3CC[NH+](C4CCC4)CC3)cc2)C(=O)C1	ZINC000028870360	563084149	/nfs/dbraw/zinc/08/41/49/563084149.db2.gz	WILIBJHNOGVKBM-UHFFFAOYSA-N	1	0	467.997	4.225	1	0		JIAFRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1cccc(Cl)c1)C2=O	ZINC000028884406	563084804	/nfs/dbraw/zinc/08/48/04/563084804.db2.gz	JNUDETUORAXZRT-QGZVFWFLSA-N	1	0	453.970	4.131	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCN(Cc3ccc4c(c3)N(CC(C)C)C(=O)CO4)CC2)n1	ZINC000028954166	563088109	/nfs/dbraw/zinc/08/81/09/563088109.db2.gz	FBMSAIJAXIAMBH-UHFFFAOYSA-N	1	0	488.632	4.121	1	0		JIAFRO
CC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])C(C)C)CC1	ZINC000029041034	563091563	/nfs/dbraw/zinc/09/15/63/563091563.db2.gz	GTBDPLQUZHAUNN-DURWQBQJSA-N	1	0	497.083	4.357	1	0		JIAFRO
O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1	ZINC000029044670	563092254	/nfs/dbraw/zinc/09/22/54/563092254.db2.gz	STALPJWOKWGXGL-IRLDBZIGSA-N	1	0	453.970	4.119	1	0		JIAFRO
Cc1ccc2cc(S(=O)(=O)CCC(=O)N(C)C3CCN(c4cc[nH+]c(C)c4)CC3)ccc2c1	ZINC000029132850	563097452	/nfs/dbraw/zinc/09/74/52/563097452.db2.gz	MAKIUNGQKOQJQS-UHFFFAOYSA-N	1	0	465.619	4.143	1	0		JIAFRO
Cc1ccc(C(C(=O)NCCC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1	ZINC000029389968	563101641	/nfs/dbraw/zinc/10/16/41/563101641.db2.gz	HUIYDWXIISSZPP-UHFFFAOYSA-N	1	0	483.656	4.461	1	0		JIAFRO
C[N@H+](C[C@@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCC1	ZINC000029406426	563102918	/nfs/dbraw/zinc/10/29/18/563102918.db2.gz	ODSKHBXLHLMOTH-NRFANRHFSA-N	1	0	461.610	4.431	1	0		JIAFRO
CC(C)([NH3+])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC2(CCc3ccccc32)CC1	ZINC000029464383	563103908	/nfs/dbraw/zinc/10/39/08/563103908.db2.gz	LCOALDMVFQRDQJ-AREMUKBSSA-N	1	0	469.629	4.111	1	0		JIAFRO
CCOC(=O)C1=C(COCCC[NH+](C)C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000029463848	563103935	/nfs/dbraw/zinc/10/39/35/563103935.db2.gz	XWQDOIKQJOXMTM-SSRRSSPNSA-N	1	0	450.963	4.100	1	0		JIAFRO
CCC[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000034312228	563113126	/nfs/dbraw/zinc/11/31/26/563113126.db2.gz	GTHAOZQJYKITBT-SFHVURJKSA-N	1	0	475.438	4.059	1	0		JIAFRO
CC(=O)N(CC[NH+](C)C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	ZINC000034804112	563116381	/nfs/dbraw/zinc/11/63/81/563116381.db2.gz	IXGSVNLBEGVRRF-FQEVSTJZSA-N	1	0	489.460	4.492	1	0		JIAFRO
O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)C1CC1	ZINC000036338416	563126353	/nfs/dbraw/zinc/12/63/53/563126353.db2.gz	UCWPAESBQKWZMV-GGAORHGYSA-N	1	0	480.572	4.344	1	0		JIAFRO
CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CC[NH2+][C@@H](C)C4)c3)c2)c1	ZINC000036412237	563129994	/nfs/dbraw/zinc/12/99/94/563129994.db2.gz	WEFKYTFPJRTGKU-IBGZPJMESA-N	1	0	459.565	4.419	1	0		JIAFRO
Cn1c(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncnc1	ZINC000036426647	563130112	/nfs/dbraw/zinc/13/01/12/563130112.db2.gz	ZUBZEOWJXKKPSY-GHTZIAJQSA-N	1	0	460.529	4.047	1	0		JIAFRO
C[NH+](C)C[C@H]1COc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1	ZINC000038149707	563132228	/nfs/dbraw/zinc/13/22/28/563132228.db2.gz	WWPGTYXGCMWETG-KRWDZBQOSA-N	1	0	453.951	4.469	1	0		JIAFRO
CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]Cc2ccc(CO)o2)nc(-c2ccncc2)n1	ZINC000039960785	563136907	/nfs/dbraw/zinc/13/69/07/563136907.db2.gz	HJRMWQCCUBHPAX-FBLLAGFSSA-N	1	0	475.637	4.495	1	0		JIAFRO
COc1cccc2c(CCC[N@H+](C3CCC3)[C@@H]3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c21	ZINC000040413935	563141130	/nfs/dbraw/zinc/14/11/30/563141130.db2.gz	RSLKSFZREXEPHC-SFHVURJKSA-N	1	0	451.542	4.205	1	0	in-vitro	JIAFRO
c1ccc(Oc2ncccc2-c2noc(CN3CCC[N@@H+](C[C@@H]4COc5ccccc5O4)CC3)n2)cc1	ZINC000040424119	563142642	/nfs/dbraw/zinc/14/26/42/563142642.db2.gz	YWALOGYVALOLTL-JOCHJYFZSA-N	1	0	499.571	4.272	1	0		JIAFRO
O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)cc2o1	ZINC000040918201	563156065	/nfs/dbraw/zinc/15/60/65/563156065.db2.gz	WMIUFZFZPDMQDX-QHCPKHFHSA-N	1	0	456.542	4.022	1	0		JIAFRO
CC(C)[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000040953446	563160242	/nfs/dbraw/zinc/16/02/42/563160242.db2.gz	WOHKJBQMRNLVHV-SFHVURJKSA-N	1	0	475.438	4.058	1	0		JIAFRO
O=S(=O)(Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1	ZINC000040956052	563160798	/nfs/dbraw/zinc/16/07/98/563160798.db2.gz	CGABCYQENPATFM-IBGZPJMESA-N	1	0	495.428	4.366	1	0		JIAFRO
O=C(C=C1CCN(C(=O)c2ccc(O)cc2)CC1)N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1	ZINC000043016219	563164610	/nfs/dbraw/zinc/16/46/10/563164610.db2.gz	AHNCPMUENNAKMN-AREMUKBSSA-N	1	0	487.575	4.238	1	0		JIAFRO
COc1cccc2c1O[C@H](c1ccc(OC3CC[NH+](C4CCC4)CC3)cc1)[C@@H](C)S2(=O)=O	ZINC000043018537	563164846	/nfs/dbraw/zinc/16/48/46/563164846.db2.gz	NCWCOECPJGISBA-OSPHWJPCSA-N	1	0	457.592	4.387	1	0		JIAFRO
O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cn2cnc(N3CCC[NH2+]CC3)cc2=O)c1	ZINC000045186796	563174179	/nfs/dbraw/zinc/17/41/79/563174179.db2.gz	VLTOSJSAYRHCJW-UHFFFAOYSA-N	1	0	494.599	4.402	1	0		JIAFRO
Cc1ccc2c(c1)NC[C@@]21CC[N@@H+](C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@@H]1C	ZINC000045193029	563176555	/nfs/dbraw/zinc/17/65/55/563176555.db2.gz	OXQMPLZLCYQPAL-YQIFXUADSA-N	1	0	455.046	4.326	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]CCOc4ccccc4C(F)(F)F)CC3)c2c1	ZINC000045201416	563178165	/nfs/dbraw/zinc/17/81/65/563178165.db2.gz	JHDGISUUXHEDDB-DEOSSOPVSA-N	1	0	489.538	4.429	1	0		JIAFRO
[NH2+]=C1N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NOCCN12	ZINC000045253858	563182232	/nfs/dbraw/zinc/18/22/32/563182232.db2.gz	SCODXNNXABJQIY-QFIPXVFZSA-N	1	0	471.414	4.004	1	0		JIAFRO
CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ncc[nH]3)CC2)cc1	ZINC000045259650	563183053	/nfs/dbraw/zinc/18/30/53/563183053.db2.gz	ZGQRBMJYBGTTBC-UHFFFAOYSA-N	1	0	461.610	4.443	1	0		JIAFRO
Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(OCCF)n3)[nH+]2)oc1C	ZINC000045261172	563183265	/nfs/dbraw/zinc/18/32/65/563183265.db2.gz	SERFARPYHPYNFP-UHFFFAOYSA-N	1	0	473.574	4.171	1	0		JIAFRO
COc1ccc(CN2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC	ZINC000045287723	563184292	/nfs/dbraw/zinc/18/42/92/563184292.db2.gz	XVYISGJLURJDNX-HXUWFJFHSA-N	1	0	485.584	4.383	1	0	in-vivo	JIAFRO
C[NH+](C)CCCNC(=O)Nc1ccc2c(c1)nccc2-c1c(-c2ccccn2)nn2c1CCC2	ZINC000045317718	563187614	/nfs/dbraw/zinc/18/76/14/563187614.db2.gz	LWYOVSWPKRKGAX-UHFFFAOYSA-N	1	0	455.566	4.180	1	0		JIAFRO
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCC([NH+]2CCCC2)CC1	ZINC000045338175	563190691	/nfs/dbraw/zinc/19/06/91/563190691.db2.gz	CZOIIHSTWAZOKV-UHFFFAOYSA-N	1	0	491.394	4.365	1	0		JIAFRO
CCN(CC)C(=O)c1ccc([C@]2(c3cccc(C(N)=O)c3)CCC[N@H+](Cc3nccs3)C2)cc1	ZINC000045354116	563192095	/nfs/dbraw/zinc/19/20/95/563192095.db2.gz	KUMWGYXMHZMCTE-MHZLTWQESA-N	1	0	476.646	4.306	1	0		JIAFRO
C[NH+]1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(/C=C/c5ccccc5)cc43)cc2)CC1	ZINC000045498382	563196215	/nfs/dbraw/zinc/19/62/15/563196215.db2.gz	RNISWZFWAGIIIB-IUWPMNEZSA-N	1	0	464.569	4.332	1	0		JIAFRO
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2cncn2C)CC3)cc1	ZINC000049032080	563197913	/nfs/dbraw/zinc/19/79/13/563197913.db2.gz	NEHBJWYHHPCAAH-UHFFFAOYSA-N	1	0	452.624	4.164	1	0		JIAFRO
CN(C(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049045676	563199340	/nfs/dbraw/zinc/19/93/40/563199340.db2.gz	QILUHNVMMLIWMO-AREMUKBSSA-N	1	0	489.641	4.199	1	0		JIAFRO
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]C[C@@H]1c1cccc(OC(F)(F)F)c1	ZINC000049045718	563199363	/nfs/dbraw/zinc/19/93/63/563199363.db2.gz	CTRQZHLDFMECBD-HZPDHXFCSA-N	1	0	451.832	4.022	1	0		JIAFRO
COc1cc(OC)c([C@@H]2CC[N@H+](C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(Br)cc2)n[nH]1	ZINC000058541328	563207121	/nfs/dbraw/zinc/20/71/21/563207121.db2.gz	GVKFWTGEEUSASP-QAPCUYQASA-N	1	0	488.382	4.009	1	0		JIAFRO
Cc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1	ZINC000061921224	563211000	/nfs/dbraw/zinc/21/10/00/563211000.db2.gz	BEAMZMLOZOHNFH-ACXCVDCASA-N	1	0	493.607	4.002	3	0		JIAFRO
CC(C)n1nc(C(=O)NC2CC[NH+](CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c2ccccc21	ZINC000003940822	562930310	/nfs/dbraw/zinc/93/03/10/562930310.db2.gz	MPHUSVKCAAHIFS-UHFFFAOYSA-N	1	0	491.680	4.144	1	0		JIAFRO
CCc1cc(NC(=O)NC[C@H]2C[N@H+](CCc3ccc(F)cc3)CCC2(C)C)cc(-c2nnnn2C)c1	ZINC000003948537	562930539	/nfs/dbraw/zinc/93/05/39/562930539.db2.gz	JLDWJHQDXOHRRF-QFIPXVFZSA-N	1	0	493.631	4.291	1	0		JIAFRO
C[N@@H+]1CCC[C@@H]1CCNC(=O)OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000006199158	562937172	/nfs/dbraw/zinc/93/71/72/562937172.db2.gz	LCGHSPJRPTUKNI-NHCUHLMSSA-N	1	0	492.041	4.061	1	0		JIAFRO
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2C)n1	ZINC000011787290	562957660	/nfs/dbraw/zinc/95/76/60/562957660.db2.gz	WTCXMPNRPYBJOR-JOCHJYFZSA-N	1	0	482.588	4.041	1	0		JIAFRO
CC[C@]1(C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000011978601	562958161	/nfs/dbraw/zinc/95/81/61/562958161.db2.gz	SAKLYEPWNNRDSV-MUUNZHRXSA-N	1	0	488.588	4.318	1	0		JIAFRO
O=C(Nc1cccc(N2CCC([NH2+]Cc3cnn(-c4cccc(F)c4)c3)CC2)c1)c1ccncc1	ZINC000012023022	562958396	/nfs/dbraw/zinc/95/83/96/562958396.db2.gz	SBGVKTTYVVUMEJ-UHFFFAOYSA-N	1	0	470.552	4.417	1	0		JIAFRO
CC[C@]1(C2CC[NH+](Cc3cccc(Cl)c3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O	ZINC000012020902	562958467	/nfs/dbraw/zinc/95/84/67/562958467.db2.gz	UIJFRSSIKKOWIC-QFQXNSOFSA-N	1	0	483.996	4.093	1	0		JIAFRO
COc1c(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)cccc1C(=O)N(C)C	ZINC000013474031	562966598	/nfs/dbraw/zinc/96/65/98/562966598.db2.gz	XGYLPTNMXIDISC-UHFFFAOYSA-N	1	0	456.449	4.247	1	0		JIAFRO
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F	ZINC000013489412	562968653	/nfs/dbraw/zinc/96/86/53/562968653.db2.gz	DMOHNDKXEKUKGV-SNVBAGLBSA-N	1	0	475.393	4.007	1	0		JIAFRO
COc1cc2[nH+]c3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1ccccc1C(F)(F)F)C3	ZINC000013528640	562971878	/nfs/dbraw/zinc/97/18/78/562971878.db2.gz	QIOOWTWBRUIBKP-ZDUSSCGKSA-N	1	0	459.468	4.388	1	0		JIAFRO
COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C(C)C)N2CCNC(=O)CCC2CCCCC2)cc1	ZINC000013545653	562973148	/nfs/dbraw/zinc/97/31/48/562973148.db2.gz	AGKZDBWAALRZAJ-UKILVPOCSA-N	1	0	454.659	4.095	3	0		JIAFRO
COc1ccc2c(c1)[C@@H](NC(=O)CCCC[NH+]1CCN(c3ccccc3OC)CC1)CCC2	ZINC000013586520	562976649	/nfs/dbraw/zinc/97/66/49/562976649.db2.gz	RJYZMXKTUIJLHV-DEOSSOPVSA-N	1	0	451.611	4.190	1	0		JIAFRO
Cc1nc2cnccc2n1CC1CCN(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1	ZINC000013745801	562988025	/nfs/dbraw/zinc/98/80/25/562988025.db2.gz	MKELHWVGEYRTIQ-UHFFFAOYSA-N	1	0	453.590	4.358	1	0		JIAFRO
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(C[NH2+]Cc2cccc(-n3cccn3)n2)CC1	ZINC000013797264	562993348	/nfs/dbraw/zinc/99/33/48/562993348.db2.gz	RIGJMEXZMQNBKZ-UHFFFAOYSA-N	1	0	462.356	4.308	1	0		JIAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4c5nccc(Cl)c5sc4c3=O)C[C@@H]21	ZINC000013807907	562995499	/nfs/dbraw/zinc/99/54/99/562995499.db2.gz	FAVICDMVFZAKMY-XJKSGUPXSA-N	1	0	482.993	4.036	1	0		JIAFRO
C[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1	ZINC000013819424	562997222	/nfs/dbraw/zinc/99/72/22/562997222.db2.gz	ZTXWLTCCHFRZOL-ZSQFBXSQSA-N	1	0	450.623	4.025	1	0		JIAFRO
O=C(c1ccccc1)N1CC[C@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1	ZINC000022930538	563018263	/nfs/dbraw/zinc/01/82/63/563018263.db2.gz	RMEQQVAFUFTJKY-SANMLTNESA-N	1	0	488.459	4.184	1	0		JIAFRO
C[C@@H](C[NH+]1CCN(C[C@@H](F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000022931017	563018441	/nfs/dbraw/zinc/01/84/41/563018441.db2.gz	VQZDZTOKSITKJO-CVDCTZTESA-N	1	0	464.564	4.190	1	0		JIAFRO
O[C@H](COc1ccc2ncccc2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934067	563018696	/nfs/dbraw/zinc/01/86/96/563018696.db2.gz	QNPZGLZBGURXDW-SANMLTNESA-N	1	0	453.586	4.382	1	0		JIAFRO
COc1ccc(CC(=O)NC[C@H](c2ccccc2OC)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022940881	563019757	/nfs/dbraw/zinc/01/97/57/563019757.db2.gz	IPHLJEAOWLQDBF-AREMUKBSSA-N	1	0	465.638	4.054	1	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC	ZINC000026008768	563021715	/nfs/dbraw/zinc/02/17/15/563021715.db2.gz	PTQFXEBQLSKNCZ-OAHLLOKOSA-N	1	0	482.408	4.480	1	0		JIAFRO
C[NH+]1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1	ZINC000026571902	563030074	/nfs/dbraw/zinc/03/00/74/563030074.db2.gz	RLDKSMWNRZTDIS-RUZDIDTESA-N	1	0	471.070	4.306	1	0		JIAFRO
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCC[NH2+][C@H]2c1ccccc1	ZINC000026650977	563032086	/nfs/dbraw/zinc/03/20/86/563032086.db2.gz	MIDMGQDYUATQRC-BUVFEPMLSA-N	1	0	459.472	4.057	1	0		JIAFRO
CC(=O)Nc1ccc(COc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2F)cc1	ZINC000026721014	563033868	/nfs/dbraw/zinc/03/38/68/563033868.db2.gz	ABUNJKGQVMIKAO-UHFFFAOYSA-N	1	0	476.552	4.405	1	0		JIAFRO
COc1cc(O[C@@H](C)C2CC[NH2+]CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1	ZINC000026832364	563036386	/nfs/dbraw/zinc/03/63/86/563036386.db2.gz	KQIHKLDDJJWHFE-IBGZPJMESA-N	1	0	493.604	4.224	1	0		JIAFRO
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(OCc2cccc(Cl)c2)cc1	ZINC000027200596	563041366	/nfs/dbraw/zinc/04/13/66/563041366.db2.gz	KENDJHYSMXFIPZ-INIZCTEOSA-N	1	0	479.968	4.202	1	0		JIAFRO
Cc1cc(-c2c(=O)[nH]c3ccc(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CC[NH2+]2)cc(C)c1C	ZINC000027320325	563042811	/nfs/dbraw/zinc/04/28/11/563042811.db2.gz	ORQDFXXLMSCLDY-NRFANRHFSA-N	1	0	483.572	4.293	1	0		JIAFRO
CCCCNC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@@H]1c1ccc(OC)cc1	ZINC000027736869	563050963	/nfs/dbraw/zinc/05/09/63/563050963.db2.gz	LCMWXUDAUUSJAA-XZOQPEGZSA-N	1	0	489.613	4.471	1	0		JIAFRO
CCCN(CCCNC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)C(N)=[NH2+]	ZINC000028129168	563057195	/nfs/dbraw/zinc/05/71/95/563057195.db2.gz	AAAJQCIMUPXTJO-UHFFFAOYSA-N	1	0	494.471	4.278	1	0		JIAFRO
C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1	ZINC000028366031	563062067	/nfs/dbraw/zinc/06/20/67/563062067.db2.gz	NOUCOYNKCVTYDV-CLOONOSVSA-N	1	0	494.613	4.340	1	0		JIAFRO
C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC[NH+](C)C)C(=O)Cc1ccccc1	ZINC000028707772	563075738	/nfs/dbraw/zinc/07/57/38/563075738.db2.gz	PYPFATXWJIPBRX-HXUWFJFHSA-N	1	0	472.564	4.219	1	0		JIAFRO
CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cccc(CN4CCOCC4)c3)CC1)=CC2	ZINC000028708710	563075911	/nfs/dbraw/zinc/07/59/11/563075911.db2.gz	PJWCKJZBKDTWSW-DHLKQENFSA-N	1	0	452.643	4.097	1	0		JIAFRO
NC(=[NH2+])SCCCOc1oc(=O)c2cc(NC(=O)NCc3ccccc3)ccc2c1Cl	ZINC000028757412	563077884	/nfs/dbraw/zinc/07/78/84/563077884.db2.gz	UTWPEAPVKDACBE-UHFFFAOYSA-N	1	0	460.943	4.164	1	0		JIAFRO
C[C@H]1C[NH2+]CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1	ZINC000028817204	563079744	/nfs/dbraw/zinc/07/97/44/563079744.db2.gz	ZVGNUEJXGIEGLJ-IBGZPJMESA-N	1	0	484.583	4.051	1	0		JIAFRO
O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OCCC[NH+]3CCCCCC3)cc2)C(=O)C1	ZINC000028870277	563084135	/nfs/dbraw/zinc/08/41/35/563084135.db2.gz	NZDIBDNGFSKVTN-UHFFFAOYSA-N	1	0	471.548	4.099	1	0		JIAFRO
COc1ccc(C)c(O[C@@H](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1	ZINC000028875033	563084343	/nfs/dbraw/zinc/08/43/43/563084343.db2.gz	RFAIVSNIWWKITN-DEOSSOPVSA-N	1	0	451.611	4.226	1	0		JIAFRO
C[NH+](C)C1CCN(C(=O)OC[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000028880303	563084638	/nfs/dbraw/zinc/08/46/38/563084638.db2.gz	OMLZOUCHAGNANH-NRFANRHFSA-N	1	0	492.041	4.013	1	0		JIAFRO
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC6CC[NH2+]CC6)c45)ccc32)c1	ZINC000028901082	563086100	/nfs/dbraw/zinc/08/61/00/563086100.db2.gz	FHXTXHDRGUEYSH-UHFFFAOYSA-N	1	0	471.540	4.279	1	0		JIAFRO
O=S(=O)(c1ccccc1Cl)N1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1	ZINC000029125593	563094819	/nfs/dbraw/zinc/09/48/19/563094819.db2.gz	WFSZDEFUOITGQZ-UHFFFAOYSA-N	1	0	469.434	4.130	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl	ZINC000029125783	563094888	/nfs/dbraw/zinc/09/48/88/563094888.db2.gz	OQTPEAHFLSFBAE-UHFFFAOYSA-N	1	0	477.841	4.299	1	0		JIAFRO
O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C[NH+]2CCCC2)C1	ZINC000029128273	563096123	/nfs/dbraw/zinc/09/61/23/563096123.db2.gz	JUBJYIBDDUCCTO-MHZLTWQESA-N	1	0	492.620	4.128	1	0		JIAFRO
Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H]([NH3+])C(C)C)c(C)c34)c2F)[nH]1	ZINC000029134385	563097929	/nfs/dbraw/zinc/09/79/29/563097929.db2.gz	VZHIANMMOJDSFV-SPLOXXLWSA-N	1	0	469.517	4.053	1	0		JIAFRO
COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2/C=C/c2cc(C)no2)cc1OC	ZINC000029231061	563099046	/nfs/dbraw/zinc/09/90/46/563099046.db2.gz	AYGMDMLHZRHNBE-GAPZJSMVSA-N	1	0	452.551	4.131	1	0		JIAFRO
CCOc1ccc(Cc2nc3cc(NC(=O)/C=C/C(=O)OC)ccc3n2CC[NH+](CC)CC)cc1	ZINC000029331850	563100563	/nfs/dbraw/zinc/10/05/63/563100563.db2.gz	NIHXAEHUKKYQEW-CCEZHUSRSA-N	1	0	478.593	4.035	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@@H]1c1cccc(C(F)(F)F)c1Cl	ZINC000029410092	563103199	/nfs/dbraw/zinc/10/31/99/563103199.db2.gz	YMFKIESLDFPEBQ-TXCMAPRMSA-N	1	0	476.879	4.125	1	0		JIAFRO
CC[NH+](CC)C[C@@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21	ZINC000029416571	563103679	/nfs/dbraw/zinc/10/36/79/563103679.db2.gz	PGBFOEXPMAAGPS-SFHVURJKSA-N	1	0	455.990	4.162	1	0		JIAFRO
CC[NH+](CC)C[C@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21	ZINC000029416574	563103742	/nfs/dbraw/zinc/10/37/42/563103742.db2.gz	PGBFOEXPMAAGPS-GOSISDBHSA-N	1	0	455.990	4.162	1	0		JIAFRO
C[NH2+][C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1	ZINC000034802297	563115967	/nfs/dbraw/zinc/11/59/67/563115967.db2.gz	VKAMBSPXFFZIQB-QGZVFWFLSA-N	1	0	471.508	4.326	1	0		JIAFRO
O=C1NCCc2cc(F)c3c(c21)C[C@@H]([N@H+](CCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3	ZINC000034841910	563116807	/nfs/dbraw/zinc/11/68/07/563116807.db2.gz	SBPGNMNSCJJZOE-HXUWFJFHSA-N	1	0	465.544	4.380	1	0		JIAFRO
COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)N(C(=O)C[NH+]1CCCCC1)CC2	ZINC000035033991	563118396	/nfs/dbraw/zinc/11/83/96/563118396.db2.gz	ZAKWDFLHDNUFNJ-DEOSSOPVSA-N	1	0	473.411	4.426	1	0		JIAFRO
COc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1NC1CC[NH+](C)CC1	ZINC000035262116	563119586	/nfs/dbraw/zinc/11/95/86/563119586.db2.gz	ZDTUOFWSKRLYPF-UHFFFAOYSA-N	1	0	478.412	4.156	1	0		JIAFRO
CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)Cn2cnc3ccccc32)CC1	ZINC000036285831	563125347	/nfs/dbraw/zinc/12/53/47/563125347.db2.gz	FKVMEMCRFOGJCA-FQEVSTJZSA-N	1	0	473.543	4.450	1	0		JIAFRO
O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)c1)C1CC1	ZINC000036338408	563126378	/nfs/dbraw/zinc/12/63/78/563126378.db2.gz	OYPWCLNPRFBHLF-GGAORHGYSA-N	1	0	480.572	4.344	1	0		JIAFRO
Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)c(F)c3)ncc2F)n1C(C)C	ZINC000038217400	563133269	/nfs/dbraw/zinc/13/32/69/563133269.db2.gz	SEKBBOWCTFTKRL-UHFFFAOYSA-N	1	0	469.540	4.075	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCN(C)C(=O)C4)c3)CC2)n1	ZINC000038413362	563134328	/nfs/dbraw/zinc/13/43/28/563134328.db2.gz	APIPZKSNAUJHEI-UHFFFAOYSA-N	1	0	472.633	4.155	1	0		JIAFRO
Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(N)=[NH2+])c2c1	ZINC000040394900	563138921	/nfs/dbraw/zinc/13/89/21/563138921.db2.gz	QMDMBZRAKLLSDM-RBUKOAKNSA-N	1	0	451.962	4.050	1	0		JIAFRO
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1cccc2cccnc21	ZINC000040422457	563141874	/nfs/dbraw/zinc/14/18/74/563141874.db2.gz	VAPYSVUINMXRQS-UHFFFAOYSA-N	1	0	468.586	4.269	1	0		JIAFRO
C=CC(=O)Nc1nc2c(cc1CCCC[NH+]1CCOCC1)ncnc2Cc1ccc(F)c(Cl)c1	ZINC000040422887	563142106	/nfs/dbraw/zinc/14/21/06/563142106.db2.gz	YBTFLZMYDPWTKC-UHFFFAOYSA-N	1	0	483.975	4.188	1	0		JIAFRO
OC[C@@]1(CCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H](O5)[C@@H]1O	ZINC000040620048	563146961	/nfs/dbraw/zinc/14/69/61/563146961.db2.gz	SKIDMCPEQHYTLO-FTCFYWFHSA-N	1	0	489.656	4.204	1	0		JIAFRO
C=CC(=O)Nc1ccc2ncnc(Cc3ccc(OCC[NH+](C)C)c(Br)c3)c2c1	ZINC000040835451	563148940	/nfs/dbraw/zinc/14/89/40/563148940.db2.gz	SCZGGXAQLKXIRE-UHFFFAOYSA-N	1	0	455.356	4.048	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CCc2nc(N)sc2C1	ZINC000040879460	563152759	/nfs/dbraw/zinc/15/27/59/563152759.db2.gz	MTSRJJUOIYINNP-INIZCTEOSA-N	1	0	468.498	4.424	1	0	in-vivo	JIAFRO
[NH3+]CC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1	ZINC000040915582	563155448	/nfs/dbraw/zinc/15/54/48/563155448.db2.gz	FFFBBNAJWOIWSO-UHFFFAOYSA-N	1	0	493.489	4.385	1	0		JIAFRO
CCC[N@H+](Cc1ccccc1Br)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040915653	563155451	/nfs/dbraw/zinc/15/54/51/563155451.db2.gz	GVOOWHRYAVMNOF-OAQYLSRUSA-N	1	0	465.342	4.119	1	0		JIAFRO
COc1ccc(-n2c3ccccc3n(CCCC[NH+]3CCN(c4ccccc4OC)CC3)c2=O)cc1	ZINC000040916014	563155583	/nfs/dbraw/zinc/15/55/83/563155583.db2.gz	FIHNXIKXLNUWCB-UHFFFAOYSA-N	1	0	486.616	4.412	1	0		JIAFRO
COc1cc(-c2ccc3c(c2)[nH]nc3-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)ccc1N	ZINC000040934067	563157153	/nfs/dbraw/zinc/15/71/53/563157153.db2.gz	QKLPRGKIKLSPLY-UHFFFAOYSA-N	1	0	453.550	4.116	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N(C)S(C)(=O)=O)c3)CC2)n1	ZINC000040972359	563161356	/nfs/dbraw/zinc/16/13/56/563161356.db2.gz	BRKQFOZQLBPTGJ-UHFFFAOYSA-N	1	0	467.635	4.273	1	0		JIAFRO
C[C@H](Cn1ccnc1)NC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043014485	563164443	/nfs/dbraw/zinc/16/44/43/563164443.db2.gz	JHYBPHVVKVPUAR-GOSISDBHSA-N	1	0	474.531	4.045	1	0		JIAFRO
COc1ccc(/C=C/C(=O)N2CCc3cc4nccc(N5CC[N@@H+]6CCC[C@H]6C5)c4cc32)cc1	ZINC000045168724	563173815	/nfs/dbraw/zinc/17/38/15/563173815.db2.gz	APTKQQCKEADZNM-OUZREKFBSA-N	1	0	454.574	4.130	1	0		JIAFRO
Cc1ccc2c(c1)NC[C@]21CC[N@@H+](C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@@H]1C	ZINC000045193032	563176496	/nfs/dbraw/zinc/17/64/96/563176496.db2.gz	OXQMPLZLCYQPAL-LNXUECGXSA-N	1	0	455.046	4.326	1	0		JIAFRO
NC1=NC(=O)N(CCCCCCCCNC(=[NH2+])NCc2ccccc2)CCCCCCCCN1	ZINC000045261868	563183356	/nfs/dbraw/zinc/18/33/56/563183356.db2.gz	PMLALILBISRTAT-UHFFFAOYSA-N	1	0	471.694	4.322	1	0		JIAFRO
CCC[NH2+]CC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCC)OCO3	ZINC000045288802	563184561	/nfs/dbraw/zinc/18/45/61/563184561.db2.gz	MUQBDQNGGLQPJB-JWQCQUIFSA-N	1	0	483.561	4.149	1	0		JIAFRO
CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3c[nH]cn3)CC2)cc1	ZINC000045320433	563187988	/nfs/dbraw/zinc/18/79/88/563187988.db2.gz	OLAMPAYCRHDOSE-UHFFFAOYSA-N	1	0	461.610	4.443	1	0		JIAFRO
C[NH+](C)CCNC(=O)c1ccc(-c2ccc3c(c2)ncc(C(N)=O)c3Nc2ccccc2)cc1	ZINC000045337821	563190594	/nfs/dbraw/zinc/19/05/94/563190594.db2.gz	NATYBDXTSGAWIY-UHFFFAOYSA-N	1	0	453.546	4.036	1	0		JIAFRO
CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049793501	563203967	/nfs/dbraw/zinc/20/39/67/563203967.db2.gz	ROKYRPTZROQHPQ-SANMLTNESA-N	1	0	489.641	4.199	1	0		JIAFRO
c1ccc(Oc2ncccc2-c2noc(CN3CCC[N@@H+](C[C@H]4COc5ccccc5O4)CC3)n2)cc1	ZINC000058660852	563208633	/nfs/dbraw/zinc/20/86/33/563208633.db2.gz	YWALOGYVALOLTL-QFIPXVFZSA-N	1	0	499.571	4.272	1	0		JIAFRO
CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000000594036	562918208	/nfs/dbraw/zinc/91/82/08/562918208.db2.gz	HWLIJCDVIPMZOD-UHFFFAOYSA-N	1	0	472.010	4.179	1	0		JIAFRO
NC(=[NH2+])c1cccc(Oc2ccccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1	ZINC000001550575	562921186	/nfs/dbraw/zinc/92/11/86/562921186.db2.gz	DUVLBBOBLCROSD-UHFFFAOYSA-N	1	0	486.553	4.330	1	0		JIAFRO
Cc1c2c(c(C)n1-c1ccccc1)C(=O)N(CCCC[NH+]1CCN(c3ccccc3)CC1)C2=O	ZINC000001648073	562922315	/nfs/dbraw/zinc/92/23/15/562922315.db2.gz	ZIUHEKBIGWNVLN-UHFFFAOYSA-N	1	0	456.590	4.293	1	0		JIAFRO
Cc1ccc2c(cc(F)cc2OCC[NH+]2CCC(Cc3cc4c(cc3F)OCC(=O)N4)CC2)n1	ZINC000003819188	562929189	/nfs/dbraw/zinc/92/91/89/562929189.db2.gz	GFDLWVZOTUWVML-UHFFFAOYSA-N	1	0	467.516	4.486	1	0		JIAFRO
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCCc3ccc(Br)cc3)cc3c2cccc3O)c1	ZINC000003831864	562929522	/nfs/dbraw/zinc/92/95/22/562929522.db2.gz	UKJQBFOVSLOHKL-UHFFFAOYSA-N	1	0	491.389	4.414	1	0		JIAFRO
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2	ZINC000012025958	562958600	/nfs/dbraw/zinc/95/86/00/562958600.db2.gz	LAKUFKQAHLLOCT-RUZDIDTESA-N	1	0	454.578	4.012	1	0		JIAFRO
O=C(Nc1cc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)[nH]n1)Nc1cccc2c1[C@H]1CCCN1C2=O	ZINC000013471132	562965444	/nfs/dbraw/zinc/96/54/44/562965444.db2.gz	CGHADMRBCNGDHX-LAUBAEHRSA-N	1	0	476.968	4.255	1	0		JIAFRO
Cc1ccccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)[NH3+]	ZINC000013489951	562969058	/nfs/dbraw/zinc/96/90/58/562969058.db2.gz	JPYWUCNQBYRTBS-SWIDVAJJSA-N	1	0	461.650	4.477	1	0		JIAFRO
COc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@@H+]5C)c4c3)CC2)cc1	ZINC000013553505	562973323	/nfs/dbraw/zinc/97/33/23/562973323.db2.gz	DCJJVODWUIJFPH-JOCHJYFZSA-N	1	0	465.619	4.291	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3ccc(Cl)cc3)C1)CC2	ZINC000013558935	562974597	/nfs/dbraw/zinc/97/45/97/562974597.db2.gz	YHBHVSCXVWRPKD-FQEVSTJZSA-N	1	0	458.986	4.289	1	0		JIAFRO
CCCOc1ccc(OCCC[N@@H+]2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3=O)C2)cc1	ZINC000013558941	562974629	/nfs/dbraw/zinc/97/46/29/562974629.db2.gz	FOQDBYFSJXIQSE-QFIPXVFZSA-N	1	0	482.621	4.424	1	0		JIAFRO
Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)nc1-c1ccccc1	ZINC000013583514	562976139	/nfs/dbraw/zinc/97/61/39/562976139.db2.gz	PHZQHCMEUDDSTI-DQEYMECFSA-N	1	0	452.558	4.287	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCC(=O)N[C@@H]2CCCc3c(OC)cccc32)CC1	ZINC000013586508	562976647	/nfs/dbraw/zinc/97/66/47/562976647.db2.gz	LXWYKTWQUZXTEL-HSZRJFAPSA-N	1	0	451.611	4.190	1	0		JIAFRO
CC(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC[NH+](C)C)CCCC3)C(=O)N2	ZINC000013588468	562977606	/nfs/dbraw/zinc/97/76/06/562977606.db2.gz	LRZXNDQFGPFXQR-QNGOZBTKSA-N	1	0	455.624	4.063	1	0		JIAFRO
[NH3+]CCc1c[nH]c2ccc(C[C@H]3NC(=O)N(Cc4cccc(Oc5ccccc5)c4)C3=O)cc12	ZINC000013603480	562978546	/nfs/dbraw/zinc/97/85/46/562978546.db2.gz	BSSVANLAVLMBEG-RUZDIDTESA-N	1	0	454.530	4.125	1	0		JIAFRO
COc1cc(O)c([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c(OC)c1	ZINC000013661631	562982382	/nfs/dbraw/zinc/98/23/82/562982382.db2.gz	OUVGTTCEDAXVTN-HSZRJFAPSA-N	1	0	476.573	4.482	3	0		JIAFRO
O=C1[C@H](CC(F)(F)F)SCN1CCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013759388	562989210	/nfs/dbraw/zinc/98/92/10/562989210.db2.gz	UCUYUQLHQLTCSM-KRWDZBQOSA-N	1	0	458.575	4.052	1	0		JIAFRO
[NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc32)CC1	ZINC000013766196	562990654	/nfs/dbraw/zinc/99/06/54/562990654.db2.gz	HBBDFTMFTGYXBM-ONHYFPECSA-N	1	0	457.618	4.317	1	0		JIAFRO
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccccc1C	ZINC000013777678	562991115	/nfs/dbraw/zinc/99/11/15/562991115.db2.gz	QKJGJPYSYJQOIN-MOCODALISA-N	1	0	455.558	4.123	1	0		JIAFRO
Cc1cc([C@@H]2SCC(=O)N2CCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c(C)c(C)c1O	ZINC000013799738	562993793	/nfs/dbraw/zinc/99/37/93/562993793.db2.gz	VBGBXTLGNDFJCA-VWLOTQADSA-N	1	0	472.607	4.021	1	0		JIAFRO
C[N@@H+]1CCC[C@@H]1CCNC(=O)OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000014166823	563005552	/nfs/dbraw/zinc/00/55/52/563005552.db2.gz	LCGHSPJRPTUKNI-RTWAWAEBSA-N	1	0	492.041	4.061	1	0		JIAFRO
Clc1ccc2c(c1Nc1ncnc3cc(OCC[NH+]4CCCC4)cc(N4CCOCC4)c31)OCO2	ZINC000014949432	563006997	/nfs/dbraw/zinc/00/69/97/563006997.db2.gz	PQDAMTCPPCKPFP-UHFFFAOYSA-N	1	0	497.983	4.067	1	0		JIAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)c(OC)c1)S2	ZINC000015880069	563011717	/nfs/dbraw/zinc/01/17/17/563011717.db2.gz	ODQFTQVHXBQHCJ-ZMPUUUETSA-N	1	0	467.591	4.003	3	0		JIAFRO
COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](CCCOc3ccc4c(c3)CCC4)C1)CC2	ZINC000022930509	563018062	/nfs/dbraw/zinc/01/80/62/563018062.db2.gz	QRGOGDUIZWEWIP-VWLOTQADSA-N	1	0	450.623	4.484	1	0		JIAFRO
Cc1ccc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)c1	ZINC000025967199	563020577	/nfs/dbraw/zinc/02/05/77/563020577.db2.gz	CCNUHRBZPSRBGO-BDYUSTAISA-N	1	0	455.602	4.070	1	0		JIAFRO
C[NH+](C)CCCOc1cc(C(=O)Nc2ccc(Br)cc2)n(Cc2ccccc2)n1	ZINC000026028516	563022173	/nfs/dbraw/zinc/02/21/73/563022173.db2.gz	MLJWMULTUHBZBD-UHFFFAOYSA-N	1	0	457.372	4.277	1	0		JIAFRO
NC(=[NH2+])c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)NCCC(c3ccccc3)c3ccccc3)C2)cc1	ZINC000026402316	563027682	/nfs/dbraw/zinc/02/76/82/563027682.db2.gz	MTBAFEYFAMWIEP-QFIPXVFZSA-N	1	0	497.643	4.344	1	0		JIAFRO
CC[NH+](CC)Cc1cccc(C(=O)OCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1	ZINC000026497437	563028798	/nfs/dbraw/zinc/02/87/98/563028798.db2.gz	JVCHZFXAAZGGPJ-UHFFFAOYSA-N	1	0	471.557	4.138	1	0		JIAFRO
CCOc1ccc(CCC(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CC3CCCCC3)cc2)cc1	ZINC000026940313	563037681	/nfs/dbraw/zinc/03/76/81/563037681.db2.gz	MQAARQYZGDXVPR-RSXGOPAZSA-N	1	0	467.610	4.254	1	0		JIAFRO
C[C@@H]1CN(c2nsc3ccccc32)CC[N@@H+]1CCCCN1C(=O)CC2(CCCC2)CC1=O	ZINC000027194588	563041164	/nfs/dbraw/zinc/04/11/64/563041164.db2.gz	CHQUPBFWSFLZTG-LJQANCHMSA-N	1	0	454.640	4.296	1	0		JIAFRO
C[C@@H]1C[N@H+](CCCCN2C(=O)CC3(CCCC3)CC2=O)CCN1c1nsc2ccccc21	ZINC000027199892	563041383	/nfs/dbraw/zinc/04/13/83/563041383.db2.gz	GSTHIQFQEPJTJH-LJQANCHMSA-N	1	0	454.640	4.296	1	0		JIAFRO
CCOC(=O)CN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1)C1CCCCC1	ZINC000027519358	563044693	/nfs/dbraw/zinc/04/46/93/563044693.db2.gz	GNNFDALZJBWFNK-HTXNQAPBSA-N	1	0	491.588	4.318	1	0		JIAFRO
CC[NH+]1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1	ZINC000027994069	563054117	/nfs/dbraw/zinc/05/41/17/563054117.db2.gz	FMNZYKRFEJMYLF-MHZLTWQESA-N	1	0	467.057	4.189	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C)C2)C1	ZINC000028131852	563057314	/nfs/dbraw/zinc/05/73/14/563057314.db2.gz	GMHSPIYMTPCTQP-XZOQPEGZSA-N	1	0	488.554	4.275	1	0		JIAFRO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12	ZINC000028370502	563062258	/nfs/dbraw/zinc/06/22/58/563062258.db2.gz	RRTFGNWCQSMHSP-UHFFFAOYSA-N	1	0	458.484	4.331	1	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC	ZINC000028389442	563063458	/nfs/dbraw/zinc/06/34/58/563063458.db2.gz	MNDYYSFCBPGDHG-UHFFFAOYSA-N	1	0	452.477	4.430	1	0		JIAFRO
CC(=O)N1C[C@H](O)C[C@@H]1C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000028528827	563068317	/nfs/dbraw/zinc/06/83/17/563068317.db2.gz	RNJWBAKLCQSABU-DNQXCXABSA-N	1	0	462.569	4.044	1	0		JIAFRO
CN(C#N)c1nc(Cl)c(-c2c(F)cc(OCCC[NH+](C)C)cc2F)c(NCC(F)(F)F)n1	ZINC000028703524	563074929	/nfs/dbraw/zinc/07/49/29/563074929.db2.gz	ZXUDPCQCQFLPJR-UHFFFAOYSA-N	1	0	478.853	4.297	1	0		JIAFRO
Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccncc4)n2C)CC3)no1	ZINC000028712469	563077079	/nfs/dbraw/zinc/07/70/79/563077079.db2.gz	PYDCBKVOIWIWLP-UHFFFAOYSA-N	1	0	460.607	4.424	1	0		JIAFRO
COc1ccc2c(c1)c1c(n2C)CN(c2ccc(OC)c(OCC[NH+]3CCC(C)CC3)c2)C1=O	ZINC000028818844	563080311	/nfs/dbraw/zinc/08/03/11/563080311.db2.gz	DIAKYLBCVUTGSO-UHFFFAOYSA-N	1	0	463.578	4.467	1	0		JIAFRO
CCC[NH+]1CCN(C(=O)OC[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000028880202	563084636	/nfs/dbraw/zinc/08/46/36/563084636.db2.gz	IUSSQNDJHZUQPS-NRFANRHFSA-N	1	0	492.041	4.014	1	0		JIAFRO
Cc1ccc(C(=O)N(CCC[NH3+])Cc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1	ZINC000028970066	563089673	/nfs/dbraw/zinc/08/96/73/563089673.db2.gz	IFEVGTALMPLYKA-UHFFFAOYSA-N	1	0	474.992	4.398	1	0		JIAFRO
CC1=C(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1	ZINC000029391912	563101756	/nfs/dbraw/zinc/10/17/56/563101756.db2.gz	FKKPXTRMLVLGJG-JOCHJYFZSA-N	1	0	485.550	4.367	1	0		JIAFRO
Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@@H](CCCC[NH3+])C(N)=O)no2)cc1	ZINC000029557414	563106749	/nfs/dbraw/zinc/10/67/49/563106749.db2.gz	DOXWBXDNJLZUBI-QFIPXVFZSA-N	1	0	485.426	4.398	1	0		JIAFRO
O[C@H](COc1ccccc1)C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1	ZINC000029563556	563107192	/nfs/dbraw/zinc/10/71/92/563107192.db2.gz	OYFRNQIVLIRDSN-DEOSSOPVSA-N	1	0	456.590	4.401	1	0		JIAFRO
C[NH2+][C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1	ZINC000034643267	563114340	/nfs/dbraw/zinc/11/43/40/563114340.db2.gz	IGXAHOUGRSJGEA-HXUWFJFHSA-N	1	0	465.479	4.265	1	0		JIAFRO
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)cc2)CC[NH2+]1	ZINC000034850415	563116934	/nfs/dbraw/zinc/11/69/34/563116934.db2.gz	DNXDIZDCMLZGSW-IBGZPJMESA-N	1	0	474.571	4.145	1	0		JIAFRO
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000036286972	563125481	/nfs/dbraw/zinc/12/54/81/563125481.db2.gz	CYNVKODZVQUAQS-UHFFFAOYSA-N	1	0	474.555	4.231	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C)C2)C1	ZINC000036351489	563126870	/nfs/dbraw/zinc/12/68/70/563126870.db2.gz	GMHSPIYMTPCTQP-GOTSBHOMSA-N	1	0	488.554	4.275	1	0		JIAFRO
CCNC(=O)c1cc2c(nc(N)nc2-c2cc(O[C@H]3CC[N@H+](CC)C3)c(Cl)cc2Cl)s1	ZINC000036487436	563130601	/nfs/dbraw/zinc/13/06/01/563130601.db2.gz	MAAXOLHHGIZKTM-NSHDSACASA-N	1	0	480.421	4.470	1	0		JIAFRO
C[C@@H]1C[C@]2(CC[N@@H+]1[C@@H]1CCCC[C@]1(O)c1cccc(F)c1)C(=O)NC[C@H]2c1ccc(F)cc1	ZINC000038147509	563131809	/nfs/dbraw/zinc/13/18/09/563131809.db2.gz	FEJOUUANXZMYSD-ABVCCFLLSA-N	1	0	454.561	4.479	1	0		JIAFRO
FC(F)(F)c1nc2c(cccc2OCC[NH+]2CCN(c3cccc4[nH]c(=S)[nH]c43)CC2)[nH]1	ZINC000040848514	563149698	/nfs/dbraw/zinc/14/96/98/563149698.db2.gz	ARIXJZBDJAGYBK-UHFFFAOYSA-N	1	0	462.501	4.322	1	0		JIAFRO
CN(CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000040933721	563156959	/nfs/dbraw/zinc/15/69/59/563156959.db2.gz	HANMVYCPBCNRMX-UHFFFAOYSA-N	1	0	485.592	4.051	1	0		JIAFRO
CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1	ZINC000040954571	563160520	/nfs/dbraw/zinc/16/05/20/563160520.db2.gz	LMJUMWUXZFVMGC-BNDYYXHWSA-N	1	0	496.492	4.275	1	0		JIAFRO
CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOC[C@@H]2O)C1	ZINC000040954573	563160553	/nfs/dbraw/zinc/16/05/53/563160553.db2.gz	LMJUMWUXZFVMGC-JKBKZWBZSA-N	1	0	496.492	4.275	1	0		JIAFRO
[NH3+]C[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1	ZINC000040975216	563161887	/nfs/dbraw/zinc/16/18/87/563161887.db2.gz	RPLOLSBTEYRLOE-ZDUSSCGKSA-N	1	0	473.371	4.493	1	0		JIAFRO
C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)cc2)CC1	ZINC000043204147	563168693	/nfs/dbraw/zinc/16/86/93/563168693.db2.gz	IBWUYNSLISMPFY-UHFFFAOYSA-N	1	0	461.516	4.436	1	0		JIAFRO
CC(C)[C@H](NC(=O)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000045167564	563173330	/nfs/dbraw/zinc/17/33/30/563173330.db2.gz	HLAYJZPETAQMNR-QHCPKHFHSA-N	1	0	491.554	4.435	1	0		JIAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2)nc(NCCc2ccccc2)[nH+]1	ZINC000045189277	563175191	/nfs/dbraw/zinc/17/51/91/563175191.db2.gz	YYZINIJEMQDYGR-DEOSSOPVSA-N	1	0	461.610	4.461	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1	ZINC000045202426	563178728	/nfs/dbraw/zinc/17/87/28/563178728.db2.gz	QBNLTZOBRLSLNY-UHFFFAOYSA-N	1	0	450.546	4.150	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCc2cccnc2)[nH+]1	ZINC000045302463	563186423	/nfs/dbraw/zinc/18/64/23/563186423.db2.gz	QTAHUNIVMJKHSV-VWLOTQADSA-N	1	0	484.579	4.313	1	0		JIAFRO
COc1cccc([C@]2(C)CC[N@H+](C[C@@H](NC(=O)[C@@]3(C)Cc4ccc(O)cc4CN3)C(C)C)C[C@@H]2C)c1	ZINC000045316426	563187535	/nfs/dbraw/zinc/18/75/35/563187535.db2.gz	HNHYIRHXMLIHPZ-CVPYSTOQSA-N	1	0	493.692	4.246	1	0		JIAFRO
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1ccc(OCC[NH3+])cc1CC2	ZINC000045336740	563190330	/nfs/dbraw/zinc/19/03/30/563190330.db2.gz	AMECFRVQTXOEEA-UHFFFAOYSA-N	1	0	455.518	4.079	1	0		JIAFRO
O=C(NCc1ccccc1)c1cnc(NCCC[NH+]2CCCC2)nc1NCC1CCCCC1	ZINC000045356477	563192444	/nfs/dbraw/zinc/19/24/44/563192444.db2.gz	DWQMZKDZXSJWSP-UHFFFAOYSA-N	1	0	450.631	4.297	1	0		JIAFRO
O=C(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)nc(N2CCC([NH+]3CCCC3)CC2)n1	ZINC000049033444	563198228	/nfs/dbraw/zinc/19/82/28/563198228.db2.gz	QJICLCADAAZLNB-UHFFFAOYSA-N	1	0	453.896	4.466	1	0		JIAFRO
O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1	ZINC000049035004	563198659	/nfs/dbraw/zinc/19/86/59/563198659.db2.gz	FEZCEVIDMRCUGC-DEOSSOPVSA-N	1	0	458.587	4.252	1	0		JIAFRO
CN(C(=O)[C@H]1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049045680	563199348	/nfs/dbraw/zinc/19/93/48/563199348.db2.gz	QILUHNVMMLIWMO-SANMLTNESA-N	1	0	489.641	4.199	1	0		JIAFRO
COc1cc(OC)c([C@@H]2CC[N@H+](C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2Br)n[nH]1	ZINC000058563611	563207291	/nfs/dbraw/zinc/20/72/91/563207291.db2.gz	OLZKKYVFRNLIHH-KDOFPFPSSA-N	1	0	488.382	4.009	1	0		JIAFRO
Cc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000058574846	563207567	/nfs/dbraw/zinc/20/75/67/563207567.db2.gz	IIGXQPFTWGSNDP-UHFFFAOYSA-N	1	0	469.376	4.180	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(OCCC3CC[NH+](C)CC3)cn2cc1-c1cccc(Cl)c1	ZINC000058592497	563208271	/nfs/dbraw/zinc/20/82/71/563208271.db2.gz	KICFRHMVTUUFGP-UHFFFAOYSA-N	1	0	485.028	4.057	1	0		JIAFRO
C[NH2+][C@@H]1[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@]43O)C2)C[C@@H]1OC	ZINC000044404006	290703476	/nfs/dbraw/zinc/70/34/76/290703476.db2.gz	VPLNNEMLBWLRFQ-LRGQOBMHSA-N	1	0	491.713	4.472	1	0	biogenic,in-vitro	JIAFRO
COc1cc(CCC(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H]3C[C@@H](C)C[C@]45[C@@H]3CCC[N@@H+]4CCC[C@H]25)ccc1O	ZINC000095913400	560056813	/nfs/dbraw/zinc/05/68/13/560056813.db2.gz	RRMQRYDHWSWYHI-VXNSJDDXSA-N	1	0	485.621	4.097	1	0	biogenic,in-vitro	JIAFRO
C[C@@H](NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)c2s1)c1ccccc1	ZINC000003819824	562929202	/nfs/dbraw/zinc/92/92/02/562929202.db2.gz	YTKKDDPGXMBSNV-QGZVFWFLSA-N	1	0	488.617	4.120	1	0		JIAFRO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC3=CCCCC3)cc12	ZINC000004035435	562931976	/nfs/dbraw/zinc/93/19/76/562931976.db2.gz	FRDGCBAVAJHZEZ-UHFFFAOYSA-N	1	0	463.626	4.020	3	0		JIAFRO
CCCC[N@H+](CC)CCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc32)CC1	ZINC000008594124	562943530	/nfs/dbraw/zinc/94/35/30/562943530.db2.gz	FNFAPYMTLSQYQB-UHFFFAOYSA-N	1	0	491.684	4.195	1	0		JIAFRO
Cc1c(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)cnn1-c1nccc(-c2cccs2)n1	ZINC000012128737	562959247	/nfs/dbraw/zinc/95/92/47/562959247.db2.gz	PNPQGSDJHJWWHX-UHFFFAOYSA-N	1	0	472.618	4.309	1	0		JIAFRO
CC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CC[N@@H+]1CCCNC(=O)Nc1cccc(C(C)=O)c1	ZINC000013443656	562963846	/nfs/dbraw/zinc/96/38/46/562963846.db2.gz	UEKNCACYTQCRSI-RCXJIHSJSA-N	1	0	451.611	4.495	1	0	in-vitro	JIAFRO
COc1cc(C(=O)N(C)C)cc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)c1OC	ZINC000013474035	562966613	/nfs/dbraw/zinc/96/66/13/562966613.db2.gz	QBGZYGXKPBWKKM-UHFFFAOYSA-N	1	0	486.475	4.256	1	0		JIAFRO
COc1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)cc1C(=O)N(C)C	ZINC000013474033	562966635	/nfs/dbraw/zinc/96/66/35/562966635.db2.gz	GAEBEPXLMSRMNB-UHFFFAOYSA-N	1	0	456.449	4.247	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4ncc(CNc5ccccc5)cc4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013487526	562967833	/nfs/dbraw/zinc/96/78/33/562967833.db2.gz	JYIWFCDCZGICHX-QVDUQQMDSA-N	1	0	481.596	4.098	1	0		JIAFRO
COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2Cl)cc1	ZINC000013534823	562972560	/nfs/dbraw/zinc/97/25/60/562972560.db2.gz	QCAXTYJADIUOIS-HSZRJFAPSA-N	1	0	458.002	4.056	1	0		JIAFRO
COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(I)c2ccccc21	ZINC000013553242	562973218	/nfs/dbraw/zinc/97/32/18/562973218.db2.gz	MNUMQOWSJLDQOS-QGZVFWFLSA-N	1	0	486.353	4.457	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CC4)CCCC5)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013586583	562976745	/nfs/dbraw/zinc/97/67/45/562976745.db2.gz	AKTDXAZSQRKUBF-QVDUQQMDSA-N	1	0	472.629	4.182	1	0		JIAFRO
COc1ccc(COc2ccccc2OCC[NH2+]CCOc2c(OC)cccc2OC)cc1	ZINC000013676660	562983478	/nfs/dbraw/zinc/98/34/78/562983478.db2.gz	VFBXMTYMQDPWHB-UHFFFAOYSA-N	1	0	453.535	4.339	1	0		JIAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1	ZINC000013779662	562991590	/nfs/dbraw/zinc/99/15/90/562991590.db2.gz	GSFRIQFLKZOXIJ-VWLOTQADSA-N	1	0	464.654	4.010	1	0		JIAFRO
C[N@H+](CCCN1C(=O)CS[C@H]1c1ccc(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2	ZINC000013799731	562993763	/nfs/dbraw/zinc/99/37/63/562993763.db2.gz	UPSTUJUEBPRYHQ-VWLOTQADSA-N	1	0	486.634	4.393	1	0		JIAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4c5nc(Cl)ccc5sc4c3=O)C[C@@H]21	ZINC000013807903	562995496	/nfs/dbraw/zinc/99/54/96/562995496.db2.gz	ZOPKBIOPCYSQDL-XJKSGUPXSA-N	1	0	482.993	4.036	1	0		JIAFRO
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[NH+]3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000013827902	562998874	/nfs/dbraw/zinc/99/88/74/562998874.db2.gz	NJVYRGAWHHHNQG-MQZIHTSUSA-N	1	0	495.572	4.032	1	0		JIAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(I)c4)c3)cc12	ZINC000014961659	563008388	/nfs/dbraw/zinc/00/83/88/563008388.db2.gz	FSLZSZADDNCEFZ-IBGZPJMESA-N	1	0	484.341	4.487	1	0		JIAFRO
CCOCCCN1c2cc(-c3c(N)nc(N)[nH+]c3CC)ccc2O[C@](C)(c2cc(F)cc(F)c2)C1=O	ZINC000014966495	563009276	/nfs/dbraw/zinc/00/92/76/563009276.db2.gz	IPXPSGDBCIRUBU-AREMUKBSSA-N	1	0	497.546	4.216	1	0		JIAFRO
O=C(NCC1CCCCC1)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CC[NH2+]CC1	ZINC000015924904	563011789	/nfs/dbraw/zinc/01/17/89/563011789.db2.gz	JWAWTMWKNWPVAO-FQEVSTJZSA-N	1	0	462.432	4.399	3	0		JIAFRO
CN1CC[NH+](CCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1	ZINC000021289525	563016663	/nfs/dbraw/zinc/01/66/63/563016663.db2.gz	LXTVIIYXNZBKDS-UHFFFAOYSA-N	1	0	474.436	4.347	1	0		JIAFRO
C[C@@H](C[NH+]1CCN(CC(F)(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000022931032	563018401	/nfs/dbraw/zinc/01/84/01/563018401.db2.gz	GRSJCQNPOIIGRR-FQEVSTJZSA-N	1	0	464.564	4.348	1	0		JIAFRO
Cc1onc2c1c(-c1ccccc1)nn(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O	ZINC000025996607	563021240	/nfs/dbraw/zinc/02/12/40/563021240.db2.gz	APEMUPZTAHKZAD-UHFFFAOYSA-N	1	0	463.969	4.226	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(N)cc3)cc2)CC1	ZINC000026286152	563025578	/nfs/dbraw/zinc/02/55/78/563025578.db2.gz	YECOTWMMKZQQAE-UHFFFAOYSA-N	1	0	458.606	4.277	1	0		JIAFRO
C=COC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C	ZINC000027518629	563044629	/nfs/dbraw/zinc/04/46/29/563044629.db2.gz	VNPVXPGMBNRKEU-DEOSSOPVSA-N	1	0	478.618	4.213	1	0		JIAFRO
COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccccc1C	ZINC000027519713	563044782	/nfs/dbraw/zinc/04/47/82/563044782.db2.gz	QKJGJPYSYJQOIN-BBYKJUTGSA-N	1	0	455.558	4.123	1	0		JIAFRO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1csc3c1CCCC3)CC2	ZINC000028022358	563055370	/nfs/dbraw/zinc/05/53/70/563055370.db2.gz	YBZQWQQYHNLSID-UHFFFAOYSA-N	1	0	456.652	4.136	1	0		JIAFRO
O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)C1CC1	ZINC000028087012	563055521	/nfs/dbraw/zinc/05/55/21/563055521.db2.gz	OYPWCLNPRFBHLF-JTHBVZDNSA-N	1	0	480.572	4.344	1	0		JIAFRO
CCNC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21	ZINC000028351848	563061201	/nfs/dbraw/zinc/06/12/01/563061201.db2.gz	NPKXHOKPLZTAIT-UNWVZKJWSA-N	1	0	476.646	4.323	1	0		JIAFRO
CC(=O)c1ccc(C[NH+]2CCC(NC(=O)c3cc(Cl)ccc3NCc3c[nH]cn3)CC2)cc1	ZINC000028526896	563068011	/nfs/dbraw/zinc/06/80/11/563068011.db2.gz	SKAZPBWHNNXIKX-UHFFFAOYSA-N	1	0	465.985	4.272	1	0		JIAFRO
COc1ccc2nccc(-n3ncc4c3CC[C@H]([NH2+]Cc3ccc5c(c3)NC(=O)CS5)C4)c2c1	ZINC000028703204	563074876	/nfs/dbraw/zinc/07/48/76/563074876.db2.gz	OHYUCHBMOYNPLB-SFHVURJKSA-N	1	0	471.586	4.120	1	0		JIAFRO
OCC1([NH+]2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccccc6F)n5)cc43)CC2)CCCC1	ZINC000028880912	563084749	/nfs/dbraw/zinc/08/47/49/563084749.db2.gz	WGLVWBKDRXWYBN-RUZDIDTESA-N	1	0	492.595	4.365	1	0		JIAFRO
O=C1NC(=Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1	ZINC000028899283	563085961	/nfs/dbraw/zinc/08/59/61/563085961.db2.gz	JTZCFBVAMKVSBV-SYANTJLKSA-N	1	0	455.514	4.143	1	0		JIAFRO
Cc1cccc(Cl)c1S(=O)(=O)N1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1	ZINC000029125547	563094786	/nfs/dbraw/zinc/09/47/86/563094786.db2.gz	KSWQWJNTSFCHKB-UHFFFAOYSA-N	1	0	483.461	4.439	1	0		JIAFRO
C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nccn2C)c1	ZINC000029129588	563096816	/nfs/dbraw/zinc/09/68/16/563096816.db2.gz	FLHWJOBAIDQWDE-FZOAFFARSA-N	1	0	479.600	4.399	1	0		JIAFRO
CC(=O)c1c(=O)n(C[C@@H](O)C[NH2+]C(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1	ZINC000029210096	563098509	/nfs/dbraw/zinc/09/85/09/563098509.db2.gz	FSLOCJIITKZHNS-FQEVSTJZSA-N	1	0	474.388	4.446	1	0		JIAFRO
CC(C)C[N@@H+]1C[C@](O)([C@H](CC2CCCCC2)NC(=O)CC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C	ZINC000029307516	563099808	/nfs/dbraw/zinc/09/98/08/563099808.db2.gz	LKIPCSCCIKSSLF-BERHBOFZSA-N	1	0	465.723	4.254	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH+](C)C)NC(C)=C(C(=O)OC)[C@H]1c1cccc2ccccc21	ZINC000029414016	563103492	/nfs/dbraw/zinc/10/34/92/563103492.db2.gz	SVRPGADJVYLSRW-LIZHXUNESA-N	1	0	452.551	4.209	1	0		JIAFRO
O=C(O[C@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1)c1ccccc1	ZINC000029560968	563106998	/nfs/dbraw/zinc/10/69/98/563106998.db2.gz	MRYSLFOELZNLKR-HSZRJFAPSA-N	1	0	452.505	4.255	1	0		JIAFRO
COCC[NH+](CCOC)CCOc1cc2c(cc1OC)ncnc2Nc1ccc(F)c(Cl)c1	ZINC000029564152	563107209	/nfs/dbraw/zinc/10/72/09/563107209.db2.gz	WFOGDVXKFPKAIQ-UHFFFAOYSA-N	1	0	478.952	4.148	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1	ZINC000035242330	563119398	/nfs/dbraw/zinc/11/93/98/563119398.db2.gz	VUBGTPVVYQBGQN-UHFFFAOYSA-N	1	0	462.569	4.229	1	0		JIAFRO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C(=O)OC)CCCC[N@H+]1[C@@H]2c1ccc(-c2cccc(Cl)c2)cc1	ZINC000036386466	563128801	/nfs/dbraw/zinc/12/88/01/563128801.db2.gz	SQMKOECXBHDBOE-BILGYAHESA-N	1	0	466.965	4.081	3	0		JIAFRO
C[C@H](Nc1c(-c2c(F)cc(N(C)CCC[NH+](C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000036435980	563130137	/nfs/dbraw/zinc/13/01/37/563130137.db2.gz	CSEBJVDJMALVCK-NSHDSACASA-N	1	0	491.896	4.474	1	0		JIAFRO
Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)C[NH2+]CCO)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C	ZINC000036479213	563130540	/nfs/dbraw/zinc/13/05/40/563130540.db2.gz	BSIGNJSWOZGTNT-XZDHIHRUSA-N	1	0	471.663	4.106	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4ccc5c(c4)oc(=S)n5C)CC3)c2c1	ZINC000038454421	563134566	/nfs/dbraw/zinc/13/45/66/563134566.db2.gz	GNWHDFGJPRKJTC-DEOSSOPVSA-N	1	0	478.618	4.345	1	0		JIAFRO
CC(C)COC(=O)CNC(=O)[C@H](Cc1ccccc1)C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1	ZINC000038454583	563134589	/nfs/dbraw/zinc/13/45/89/563134589.db2.gz	MQZOZIODQPLFRF-KNAJXNNHSA-N	1	0	480.649	4.166	1	0		JIAFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)C3Oc4ccccc4O3)cc1)CC2	ZINC000040393019	563138210	/nfs/dbraw/zinc/13/82/10/563138210.db2.gz	MOPNQMNIILJCSL-UHFFFAOYSA-N	1	0	460.530	4.041	1	0		JIAFRO
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CNC(=O)[C@H]1CCCC[N@@H+]1C	ZINC000040393103	563138284	/nfs/dbraw/zinc/13/82/84/563138284.db2.gz	LLRYWSSZZNXGSL-HXUWFJFHSA-N	1	0	457.937	4.275	1	0		JIAFRO
CCC[N@H+](C[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040420350	563141282	/nfs/dbraw/zinc/14/12/82/563141282.db2.gz	UFSULTLEIKMZQU-NVXWUHKLSA-N	1	0	453.533	4.366	1	0		JIAFRO
O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000040423623	563142486	/nfs/dbraw/zinc/14/24/86/563142486.db2.gz	CJXOLQLIYNCESH-AREMUKBSSA-N	1	0	485.550	4.152	1	0		JIAFRO
NC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)C1	ZINC000040424688	563143007	/nfs/dbraw/zinc/14/30/07/563143007.db2.gz	WIVNJJUIRLDNAK-LJQANCHMSA-N	1	0	473.552	4.193	1	0		JIAFRO
COc1cc(-n2nnc3cc(Oc4ccccc4)ccc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000040568622	563146284	/nfs/dbraw/zinc/14/62/84/563146284.db2.gz	YOMBUIQLNXVAJU-UHFFFAOYSA-N	1	0	458.518	4.056	1	0		JIAFRO
CCCCS(=O)(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)cc1	ZINC000040836204	563149027	/nfs/dbraw/zinc/14/90/27/563149027.db2.gz	CHTXLSMNXXPBKV-SFHVURJKSA-N	1	0	475.438	4.107	1	0		JIAFRO
COc1ccc2c3c1c1c(n3CCC2)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]42[C@@]3(O)C1	ZINC000040846349	563149276	/nfs/dbraw/zinc/14/92/76/563149276.db2.gz	KUQPMMTZQUTFKZ-RYCXQYRLSA-N	1	0	484.596	4.001	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@@H]1CCc2nc(N)sc2C1	ZINC000040879456	563152770	/nfs/dbraw/zinc/15/27/70/563152770.db2.gz	MTSRJJUOIYINNP-MRXNPFEDSA-N	1	0	468.498	4.424	1	0	in-vivo	JIAFRO
COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCC2CCCCC2)CC1	ZINC000040950643	563159462	/nfs/dbraw/zinc/15/94/62/563159462.db2.gz	MWRPXZDYPLKJHD-UHFFFAOYSA-N	1	0	466.022	4.029	1	0		JIAFRO
C[N@@H+]1CCC[C@@H](COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1	ZINC000043014114	563164401	/nfs/dbraw/zinc/16/44/01/563164401.db2.gz	JXOWCQWEUUTKGW-OAHLLOKOSA-N	1	0	499.247	4.233	1	0		JIAFRO
C[N@@H+]1CC[C@](O)(c2ccc(Br)cc2)[C@H]([C@H](O)c2ccc(Br)cc2)C1	ZINC000045169008	563174079	/nfs/dbraw/zinc/17/40/79/563174079.db2.gz	HENYQHJWPIDBGJ-OTWHNJEPSA-N	1	0	455.190	4.085	1	0		JIAFRO
COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)cc1	ZINC000045189289	563175208	/nfs/dbraw/zinc/17/52/08/563175208.db2.gz	RLKHVICSHVJIPF-UHFFFAOYSA-N	1	0	479.646	4.025	1	0		JIAFRO
Cc1c2ccccc2oc1CN(C)C(=O)/C=C/c1cnc2c(c1)CC1(CC[NH+](C)CC1)C(=O)N2	ZINC000045260290	563183124	/nfs/dbraw/zinc/18/31/24/563183124.db2.gz	ZIXSCOJWKIXXJL-CMDGGOBGSA-N	1	0	458.562	4.015	1	0		JIAFRO
Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1	ZINC000045324441	563189097	/nfs/dbraw/zinc/18/90/97/563189097.db2.gz	MNEBZNQCRKVFDV-UHFFFAOYSA-N	1	0	459.631	4.428	1	0		JIAFRO
CN(Cc1ccc([C@H]2C[N@H+](C)CCc3cc(Cl)c(O)cc32)cc1)S(=O)(=O)c1ccccc1	ZINC000045374121	563194019	/nfs/dbraw/zinc/19/40/19/563194019.db2.gz	FDYARYSVVYXICE-HSZRJFAPSA-N	1	0	471.022	4.486	1	0		JIAFRO
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1cc(OCC[NH3+])ccc1CC2	ZINC000045390031	563195018	/nfs/dbraw/zinc/19/50/18/563195018.db2.gz	CHGSOUHQHRGRSH-UHFFFAOYSA-N	1	0	455.518	4.079	1	0		JIAFRO
Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CC[NH+](CC3CCOCC3)CC2)nc2ncn(C)c21	ZINC000049067985	563200869	/nfs/dbraw/zinc/20/08/69/563200869.db2.gz	CSTLMMAZJFATDO-UHFFFAOYSA-N	1	0	477.657	4.261	1	0		JIAFRO
COc1ccc(-c2coc3cc(OC[C@H](O)C[NH2+]C4CCCCC4)ccc3c2=O)cc1OC	ZINC000049089768	563201997	/nfs/dbraw/zinc/20/19/97/563201997.db2.gz	PSBRBCLZHLONKH-LJQANCHMSA-N	1	0	453.535	4.139	1	0		JIAFRO
COc1cccc2[nH]cc(C[NH+]3CCC(O)(c4ccc(I)cc4)CC3)c21	ZINC000053244094	563205423	/nfs/dbraw/zinc/20/54/23/563205423.db2.gz	LMUWKYOZOCNQDQ-UHFFFAOYSA-N	1	0	462.331	4.265	1	0		JIAFRO
CONC(=O)c1ccc(C)c(Nc2nc(NC[C@H]3CCC[C@@H](C[NH3+])C3)nc(NC3CCCCC3)n2)c1	ZINC000058568481	563207454	/nfs/dbraw/zinc/20/74/54/563207454.db2.gz	JOQUGDNCAGUKRL-MOPGFXCFSA-N	1	0	496.660	4.136	1	0		JIAFRO
C[C@@H](Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)[NH2+]C[C@H](O)COc1ccccc1	ZINC000040874860	581094764	/nfs/dbraw/zinc/09/47/64/581094764.db2.gz	HFHHNHNEBZCVRQ-HOFKKMOUSA-N	1	0	498.627	4.073	1	0		JIAFRO
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@H]5[C@H]4C[N@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@@H]3C[C@H](O)[C@H]2C1	ZINC000070454888	560047910	/nfs/dbraw/zinc/04/79/10/560047910.db2.gz	JIOMVOSJPWJUQT-KHMMYLEXSA-N	1	0	473.698	4.249	1	0	biogenic,in-vitro	JIAFRO
CO[C@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@]43O)C2)O[C@H](C)[C@H]1[NH3+]	ZINC000095486219	560061581	/nfs/dbraw/zinc/06/15/81/560061581.db2.gz	XNPZZOKPHOMJPJ-ZCUSCYLKSA-N	1	0	477.686	4.212	1	0	biogenic,in-vitro	JIAFRO
CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)O[C@@H](C)[C@@H]1[NH3+]	ZINC000095099523	560062300	/nfs/dbraw/zinc/06/23/00/560062300.db2.gz	XNPZZOKPHOMJPJ-XTRYFGTGSA-N	1	0	477.686	4.212	1	0	biogenic,in-vitro	JIAFRO
COc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(N3CCC[N@H+](C)CC3)cc2)cc1	ZINC000000593024	562918183	/nfs/dbraw/zinc/91/81/83/562918183.db2.gz	AYIJXEKESTYYQK-UHFFFAOYSA-N	1	0	474.561	4.047	1	0		JIAFRO
CCOc1ccc(OCCC[N@@H+]2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3=O)C2)cc1	ZINC000004392959	562933302	/nfs/dbraw/zinc/93/33/02/562933302.db2.gz	AOTNQNFFXCDFHA-OAQYLSRUSA-N	1	0	468.594	4.034	1	0		JIAFRO
CC[C@@]1(C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000011978594	562958144	/nfs/dbraw/zinc/95/81/44/562958144.db2.gz	SAKLYEPWNNRDSV-NDEPHWFRSA-N	1	0	488.588	4.318	1	0		JIAFRO
CC(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(N)=[NH2+])ccc3O)cc2C(F)(F)F)CC1	ZINC000013441119	562963237	/nfs/dbraw/zinc/96/32/37/562963237.db2.gz	URUZCAASSFQCEX-NSCUHMNNSA-N	1	0	476.499	4.210	1	0		JIAFRO
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000013490293	562969264	/nfs/dbraw/zinc/96/92/64/562969264.db2.gz	QYEHSHNAGORASG-SANMLTNESA-N	1	0	496.652	4.030	1	0		JIAFRO
CCCC[C@H](C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1=O	ZINC000013526993	562971651	/nfs/dbraw/zinc/97/16/51/562971651.db2.gz	YSBAHWSIHWBSCV-KRWDZBQOSA-N	1	0	495.027	4.155	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1	ZINC000013531216	562972264	/nfs/dbraw/zinc/97/22/64/562972264.db2.gz	KQPZDMZTTZGFPF-UHFFFAOYSA-N	1	0	465.619	4.350	1	0		JIAFRO
O=C(Nc1[nH]nc2nc(-c3ccco3)c(Br)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000013538650	562972937	/nfs/dbraw/zinc/97/29/37/562972937.db2.gz	HDONVKMMRZKRCC-OAHLLOKOSA-N	1	0	466.339	4.441	1	0		JIAFRO
O=C(CCC1CCCCC1)NCCN1C2=[NH+]C[C@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1	ZINC000013545664	562973169	/nfs/dbraw/zinc/97/31/69/562973169.db2.gz	MYHQHPUWOWUUQI-RRPNLBNLSA-N	1	0	488.676	4.379	3	0		JIAFRO
COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCC[NH+]1CCN(c2ccccc2OC)CC1	ZINC000013586513	562976651	/nfs/dbraw/zinc/97/66/51/562976651.db2.gz	UGKGEWQQNWUAQP-DEOSSOPVSA-N	1	0	451.611	4.190	1	0		JIAFRO
COc1cccc(COc2ccccc2OCC[NH2+]CCOc2c(OC)cccc2OC)c1	ZINC000013676658	562983402	/nfs/dbraw/zinc/98/34/02/562983402.db2.gz	UKNCZUARTFPATM-UHFFFAOYSA-N	1	0	453.535	4.339	1	0		JIAFRO
CCOC(=O)Nc1ccccc1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013747149	562988361	/nfs/dbraw/zinc/98/83/61/562988361.db2.gz	LOGBZPHGQPXCHJ-UHFFFAOYSA-N	1	0	481.622	4.197	1	0		JIAFRO
COC(=O)C[C@@H](CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C(N)=[NH2+])c1	ZINC000013776596	562990979	/nfs/dbraw/zinc/99/09/79/562990979.db2.gz	GKIMFPDOQSVZBN-HXUWFJFHSA-N	1	0	465.575	4.051	1	0		JIAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1Oc2ccccc2O[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000013827449	562998594	/nfs/dbraw/zinc/99/85/94/562998594.db2.gz	KCLZGFFHZQQZJL-CLJLJLNGSA-N	1	0	479.529	4.179	1	0		JIAFRO
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)Oc2ccccc2)C[C@H]1C[NH+]1CCCC1	ZINC000013832124	562999517	/nfs/dbraw/zinc/99/95/17/562999517.db2.gz	CLDQREFKVRQNCU-LJQANCHMSA-N	1	0	476.404	4.344	1	0		JIAFRO
COc1cccc(C[NH+]2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1	ZINC000013835841	563001523	/nfs/dbraw/zinc/00/15/23/563001523.db2.gz	WHFTUKDGFGFLCG-RLWLMLJZSA-N	1	0	458.549	4.099	1	0		JIAFRO
CC(C)[N@@H+]1CCC(C[C@@H](O)CCc2ccccc2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1	ZINC000013838024	563001592	/nfs/dbraw/zinc/00/15/92/563001592.db2.gz	RWTXFFKCVUPPAH-QFIPXVFZSA-N	1	0	471.686	4.224	1	0		JIAFRO
COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1	ZINC000013976090	563004933	/nfs/dbraw/zinc/00/49/33/563004933.db2.gz	SRUSMBPQXNKIIG-QHCPKHFHSA-N	1	0	457.534	4.278	1	0		JIAFRO
COc1c(Br)cc(Br)cc1COC[C@H](c1ccccc1)N1CC[NH2+]CC1	ZINC000022926808	563017750	/nfs/dbraw/zinc/01/77/50/563017750.db2.gz	SSSMQSQCNAOVLJ-LJQANCHMSA-N	1	0	484.232	4.383	1	0		JIAFRO
[NH3+][C@H]1[C@@H](c2cccc(Br)c2)CC(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1	ZINC000026502730	563029276	/nfs/dbraw/zinc/02/92/76/563029276.db2.gz	IWCOMUSIVDXXJY-AKIFATBCSA-N	1	0	452.352	4.134	1	0		JIAFRO
COc1ccc(C(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1	ZINC000027628036	563047420	/nfs/dbraw/zinc/04/74/20/563047420.db2.gz	VOJNYWBBPTWSTR-UHFFFAOYSA-N	1	0	496.055	4.137	1	0		JIAFRO
O=c1[nH]c(NCCC[NH2+][C@@H]2CCNc3c(Cl)cc(Br)cc32)nc2ccsc21	ZINC000028337803	563060118	/nfs/dbraw/zinc/06/01/18/563060118.db2.gz	BXSUPZKLHBAGFU-CYBMUJFWSA-N	1	0	468.808	4.349	1	0		JIAFRO
C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NCc2ccccc2)c1	ZINC000028369705	563062263	/nfs/dbraw/zinc/06/22/63/563062263.db2.gz	LGHCNFZLEQZRMA-CLOONOSVSA-N	1	0	493.629	4.373	1	0		JIAFRO
O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3nnc4ccccn43)CC2)[C@@H](c2ccccc2)C1	ZINC000028520745	563066284	/nfs/dbraw/zinc/06/62/84/563066284.db2.gz	JOALWEVNUULNIL-JIMJEQGWSA-N	1	0	487.648	4.268	1	0		JIAFRO
O=C1NCN(c2ccc(F)cc2)C12CC[NH+]([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1)CC2	ZINC000028564051	563069125	/nfs/dbraw/zinc/06/91/25/563069125.db2.gz	VWWCTDHSGVMZPL-RCZVLFRGSA-N	1	0	457.977	4.038	1	0		JIAFRO
CC[C@H](C)c1ncc(C[NH2+]CCOC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569226	563070386	/nfs/dbraw/zinc/07/03/86/563070386.db2.gz	RVFSZFLJRWJHQF-ZDUSSCGKSA-N	1	0	453.427	4.434	1	0		JIAFRO
NC(=[NH2+])SCCCOc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl	ZINC000028757405	563077865	/nfs/dbraw/zinc/07/78/65/563077865.db2.gz	NBUYUEIRSZOOKI-UHFFFAOYSA-N	1	0	459.955	4.413	1	0		JIAFRO
COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(c5nccs5)CC4)ccc32)cc1	ZINC000028818143	563080068	/nfs/dbraw/zinc/08/00/68/563080068.db2.gz	WURDXGJSSCNLKT-SANMLTNESA-N	1	0	478.662	4.320	1	0		JIAFRO
O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)C(=O)C1	ZINC000028870405	563084124	/nfs/dbraw/zinc/08/41/24/563084124.db2.gz	XJNWVZSDYXIIEY-UHFFFAOYSA-N	1	0	483.559	4.240	1	0		JIAFRO
FC(F)(F)c1ccccc1O[C@@H](c1cccc(I)c1)[C@H]1C[NH2+]CCO1	ZINC000028881223	563084761	/nfs/dbraw/zinc/08/47/61/563084761.db2.gz	SQWQWSORIRRKHB-SJORKVTESA-N	1	0	463.237	4.419	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1	ZINC000029125730	563094909	/nfs/dbraw/zinc/09/49/09/563094909.db2.gz	UVSUXUHBOZNUDW-UHFFFAOYSA-N	1	0	459.011	4.145	1	0		JIAFRO
O=S(=O)(c1ccccc1Cl)N1CCC[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1	ZINC000029126068	563095109	/nfs/dbraw/zinc/09/51/09/563095109.db2.gz	QYOPIBUYBHEQLK-IBGZPJMESA-N	1	0	469.434	4.130	1	0		JIAFRO
Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4c(Cl)cccc4c3)CC2)cc[nH+]1	ZINC000029131699	563097233	/nfs/dbraw/zinc/09/72/33/563097233.db2.gz	AUNSRHSCCOMHQD-UHFFFAOYSA-N	1	0	486.037	4.488	1	0		JIAFRO
C[C@]1(c2ccc(F)cc2)CC(=O)N(CCCC[NH+]2CCN(c3nsc4ccccc43)CC2)C1=O	ZINC000029248370	563099612	/nfs/dbraw/zinc/09/96/12/563099612.db2.gz	QJJHAAPWLZCIHS-AREMUKBSSA-N	1	0	480.609	4.054	1	0		JIAFRO
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(N)=O)cc(Br)c3O)c(Cc3ccccc3)c2c1	ZINC000029472995	563104725	/nfs/dbraw/zinc/10/47/25/563104725.db2.gz	QAKFODQDXWPAJO-UHFFFAOYSA-N	1	0	477.362	4.206	1	0		JIAFRO
O=C(N[C@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)C1CCCCC1)c1ccc(F)cc1	ZINC000029569584	563107637	/nfs/dbraw/zinc/10/76/37/563107637.db2.gz	ALIDGGPSZBTFKS-HSZRJFAPSA-N	1	0	457.569	4.036	1	0		JIAFRO
O=c1cc(NCCC[NH2+]Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]c2ccccc12	ZINC000033990324	563111496	/nfs/dbraw/zinc/11/14/96/563111496.db2.gz	HIWWBQYFWJAVMQ-UHFFFAOYSA-N	1	0	486.597	4.312	1	0		JIAFRO
COCCCC[C@@](O)(c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])CC2CCCCC2)C1	ZINC000034662421	563114543	/nfs/dbraw/zinc/11/45/43/563114543.db2.gz	JTJSJFTVHFTSNP-CMTIAEDTSA-N	1	0	459.675	4.410	1	0		JIAFRO
CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C(C)C)C4)C3)s2)cc1	ZINC000036151847	563122836	/nfs/dbraw/zinc/12/28/36/563122836.db2.gz	VDFNZCNVABZJBB-YADHBBJMSA-N	1	0	468.667	4.316	1	0		JIAFRO
O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)cc1)C1CC1	ZINC000036338415	563126367	/nfs/dbraw/zinc/12/63/67/563126367.db2.gz	UCWPAESBQKWZMV-GMAHTHKFSA-N	1	0	480.572	4.344	1	0		JIAFRO
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](C[N@H+]1CC[C@@H](O)C1)O2	ZINC000038149715	563132223	/nfs/dbraw/zinc/13/22/23/563132223.db2.gz	LZNGOWRILRYSPJ-MOPGFXCFSA-N	1	0	495.004	4.007	1	0		JIAFRO
C[NH+](C)CC(=O)N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12	ZINC000038390482	563134292	/nfs/dbraw/zinc/13/42/92/563134292.db2.gz	KNVOICXEDILAGT-VWLOTQADSA-N	1	0	479.584	4.446	1	0		JIAFRO
COc1cc(O)ccc1-c1ccc2c(c1)[nH]nc2-c1nc2c(cccc2N2CC[NH+](C)CC2)[nH]1	ZINC000040408719	563140389	/nfs/dbraw/zinc/14/03/89/563140389.db2.gz	RQXOBAMSPDGWSL-UHFFFAOYSA-N	1	0	454.534	4.239	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1c4c(c5c6c(ccc5OC)CCCn64)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040863339	563150514	/nfs/dbraw/zinc/15/05/14/563150514.db2.gz	FZTWBMOAEUKZIN-RYSHCBBCSA-N	1	0	498.623	4.304	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1c4c(c5cc(F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040866542	563151220	/nfs/dbraw/zinc/15/12/20/563151220.db2.gz	VKPNGGDFUCLVGV-UJLGHMMASA-N	1	0	486.587	4.434	1	0		JIAFRO
O=C(c1ccccc1C(F)(F)F)N1CCC([NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1	ZINC000040894725	563153704	/nfs/dbraw/zinc/15/37/04/563153704.db2.gz	HTFHTKNLGFVJTQ-UHFFFAOYSA-N	1	0	472.511	4.290	1	0		JIAFRO
O=C(CC[NH+]1CCCCC1)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc43)c2c1	ZINC000040938098	563158413	/nfs/dbraw/zinc/15/84/13/563158413.db2.gz	FFIRYORFNXDFMX-UHFFFAOYSA-N	1	0	462.575	4.241	1	0		JIAFRO
CCOc1ccccc1N1CC[NH+](CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1	ZINC000040952179	563159820	/nfs/dbraw/zinc/15/98/20/563159820.db2.gz	ZFKARVJYVCGJKP-UHFFFAOYSA-N	1	0	471.605	4.188	1	0	in-vitro	JIAFRO
O=C(Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1	ZINC000043076054	563166688	/nfs/dbraw/zinc/16/66/88/563166688.db2.gz	USLBXGRMRPPQCM-MHZLTWQESA-N	1	0	470.569	4.299	1	0		JIAFRO
O=C1NCc2cc(F)c(OCCCC[NH+]3CCN(c4cccc5cccc(F)c54)CC3)cc21	ZINC000043194099	563168243	/nfs/dbraw/zinc/16/82/43/563168243.db2.gz	TVCLMCWUAJMAEI-UHFFFAOYSA-N	1	0	451.517	4.343	1	0		JIAFRO
Cc1sc(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c(I)c1C	ZINC000045187067	563174332	/nfs/dbraw/zinc/17/43/32/563174332.db2.gz	FTCXWXCQGVUPAW-UHFFFAOYSA-N	1	0	467.376	4.403	1	0		JIAFRO
COc1ccc(C[NH2+]Cc2ccsc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1	ZINC000045194878	563177253	/nfs/dbraw/zinc/17/72/53/563177253.db2.gz	BYBPLBADGJZBQG-UHFFFAOYSA-N	1	0	491.704	4.149	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)nc(NCCOc2ccccc2)[nH+]1	ZINC000045195821	563177747	/nfs/dbraw/zinc/17/77/47/563177747.db2.gz	KTEOHUWYWDIOBE-DEOSSOPVSA-N	1	0	459.594	4.358	1	0		JIAFRO
Oc1ccc(CCCNc2nc(NCc3ccccc3-c3ccccc3)nc(N3CC[NH2+]CC3)n2)cc1	ZINC000045210913	563179495	/nfs/dbraw/zinc/17/94/95/563179495.db2.gz	VXYDXZMTAZLRPX-UHFFFAOYSA-N	1	0	495.631	4.311	1	0		JIAFRO
CCCCNc1ccc(C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)cc1	ZINC000045227304	563180053	/nfs/dbraw/zinc/18/00/53/563180053.db2.gz	VLCQZYNBLKDZKA-MHZLTWQESA-N	1	0	476.621	4.383	1	0		JIAFRO
Cc1ccc2cc(NC(=O)CCCCCCCON3C(=N)NC(N)=[NH+]C34CCCCC4)ccc2n1	ZINC000045227913	563180137	/nfs/dbraw/zinc/18/01/37/563180137.db2.gz	VKVLFQLBIGVNEN-UHFFFAOYSA-N	1	0	479.629	4.359	1	0		JIAFRO
CCOc1ccc([C@]2(c3cccc(-c4cccnc4F)c3)NC(=[NH2+])N3CCCN=C32)cc1OCC	ZINC000045245723	563181821	/nfs/dbraw/zinc/18/18/21/563181821.db2.gz	TWIURROXDBTAGU-MHZLTWQESA-N	1	0	473.552	4.361	1	0		JIAFRO
CCOc1ccc([C@@]2(c3cccc(-c4cccnc4F)c3)NC(=[NH2+])N3CCCN=C32)cc1OCC	ZINC000045245722	563181836	/nfs/dbraw/zinc/18/18/36/563181836.db2.gz	TWIURROXDBTAGU-HHHXNRCGSA-N	1	0	473.552	4.361	1	0		JIAFRO
CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3nccn3C)CC2)cc1	ZINC000045255195	563182534	/nfs/dbraw/zinc/18/25/34/563182534.db2.gz	WCLDGXPGWHNEMF-UHFFFAOYSA-N	1	0	475.637	4.453	1	0		JIAFRO
C[C@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCc2ccccc2)c(NC2CCCC2)n1	ZINC000045368854	563193534	/nfs/dbraw/zinc/19/35/34/563193534.db2.gz	SCLSFPNHIFVIDL-FQEVSTJZSA-N	1	0	450.631	4.438	1	0		JIAFRO
C[C@H](Nc1nccc(N(C[C@@H]2CCC[NH2+]C2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1	ZINC000049067439	563200850	/nfs/dbraw/zinc/20/08/50/563200850.db2.gz	TWZNWJOWCOVCBL-VQTJNVASSA-N	1	0	457.578	4.231	1	0		JIAFRO
O=C(c1ccc(-c2cnc3c(c2)N(Cc2ccccc2)C(=O)CN3)cc1)N1CCC[C@H]1C[NH+]1CCCC1	ZINC000049803617	563204150	/nfs/dbraw/zinc/20/41/50/563204150.db2.gz	DQFUMMNDGGQEPC-SANMLTNESA-N	1	0	495.627	4.408	1	0		JIAFRO
C[NH+]1CCN(c2ccc(Nc3nccc(-c4cnn5nc(-c6ccc(F)cc6)ccc45)n3)cc2)CC1	ZINC000053195755	563205179	/nfs/dbraw/zinc/20/51/79/563205179.db2.gz	AKAGBRZFDUGGEX-UHFFFAOYSA-N	1	0	480.551	4.488	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCOC3)c2)CCCCC1	ZINC000058538153	563206986	/nfs/dbraw/zinc/20/69/86/563206986.db2.gz	MERCNGFJQWZGEA-VYCLJVNGSA-N	1	0	486.603	4.326	1	0		JIAFRO
O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1	ZINC000058575839	563207660	/nfs/dbraw/zinc/20/76/60/563207660.db2.gz	ZVTZFKMWQGHVAW-GOSISDBHSA-N	1	0	481.387	4.407	1	0		JIAFRO
FC(F)(F)Oc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC[N@@H+](C3CCC3)CC2)cc1	ZINC000058582278	563207787	/nfs/dbraw/zinc/20/77/87/563207787.db2.gz	BUTHKUNDVNBKIW-HSZRJFAPSA-N	1	0	486.542	4.270	1	0		JIAFRO
COc1cc(CNC(=O)Nc2nc([C@H]([NH3+])Cc3ccc(Cl)cc3)cs2)cc(OC)c1OC	ZINC000061907828	563210692	/nfs/dbraw/zinc/21/06/92/563210692.db2.gz	JXGLPSJPWFLICW-MRXNPFEDSA-N	1	0	476.986	4.387	3	0		JIAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@H]3CCC[NH2+]3)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000003798390	562928423	/nfs/dbraw/zinc/92/84/23/562928423.db2.gz	LMMFNPFUDYQJEK-HFJQGTKSSA-N	1	0	476.495	4.071	1	0		JIAFRO
CN(C(=O)Cc1ccc(Br)c(Br)c1N)[C@H]1CCCC[C@@H]1[NH+]1CCCC1	ZINC000005596336	562934404	/nfs/dbraw/zinc/93/44/04/562934404.db2.gz	YPSYVLXJCIRFDK-HOTGVXAUSA-N	1	0	473.253	4.202	1	0		JIAFRO
CCOC(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1	ZINC000006577744	562937891	/nfs/dbraw/zinc/93/78/91/562937891.db2.gz	AUGUBBXUTRDLNA-LJQANCHMSA-N	1	0	489.016	4.253	3	0		JIAFRO
COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1	ZINC000009265390	562955686	/nfs/dbraw/zinc/95/56/86/562955686.db2.gz	UTMHCHSKGUPRAZ-UHFFFAOYSA-N	1	0	491.544	4.256	3	0		JIAFRO
C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1-c1ccco1	ZINC000011782634	562957551	/nfs/dbraw/zinc/95/75/51/562957551.db2.gz	ZSYRLOFXPSPVHR-UHFFFAOYSA-N	1	0	470.577	4.006	1	0		JIAFRO
COc1cccc(-c2ccnc(-n3ncc(C(=O)NCC4([NH+]5CCCCC5)CCCC4)c3C)n2)c1	ZINC000012125164	562959275	/nfs/dbraw/zinc/95/92/75/562959275.db2.gz	NQJUIGRLEXHATR-UHFFFAOYSA-N	1	0	474.609	4.175	1	0		JIAFRO
COc1ccc(CC[N@H+](C)CCn2c(=O)c3ccccc3nc2-c2ccc(N(C)C)cc2)cc1OC	ZINC000013438263	562962580	/nfs/dbraw/zinc/96/25/80/562962580.db2.gz	IERNEONMXXBPJS-UHFFFAOYSA-N	1	0	486.616	4.321	1	0		JIAFRO
CCOc1c(Br)cc([S@](C)=O)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1	ZINC000013487777	562967910	/nfs/dbraw/zinc/96/79/10/562967910.db2.gz	DFQHTYMJYXEPMT-SSEXGKCCSA-N	1	0	492.439	4.431	1	0		JIAFRO
Cn1cc(-c2ccc3c(c2)c(C2CC[NH+](CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1	ZINC000013493004	562970054	/nfs/dbraw/zinc/97/00/54/562970054.db2.gz	BJICDRUQIDTHQQ-UHFFFAOYSA-N	1	0	486.595	4.375	1	0		JIAFRO
COc1cc2[nH+]c3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)C3	ZINC000013528646	562971924	/nfs/dbraw/zinc/97/19/24/562971924.db2.gz	FTEVEABUGCVYPW-ZDUSSCGKSA-N	1	0	459.468	4.388	1	0		JIAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3cc(C(F)(F)F)ccc3F)n2)cc1	ZINC000013538029	562972829	/nfs/dbraw/zinc/97/28/29/562972829.db2.gz	QYNHHEWCMHMCIH-MRXNPFEDSA-N	1	0	465.451	4.423	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[NH2+]C3CCCC3)c2=O)c1	ZINC000013553297	562973269	/nfs/dbraw/zinc/97/32/69/562973269.db2.gz	FZFSCDONZGYLTG-QGZVFWFLSA-N	1	0	483.559	4.414	1	0		JIAFRO
C[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OC)c2)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1	ZINC000013609644	562979130	/nfs/dbraw/zinc/97/91/30/562979130.db2.gz	NUNVFFCNHYEXAC-VWLOTQADSA-N	1	0	491.538	4.281	1	0		JIAFRO
Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CC[N@H+](C)C4)C3)s2)c(Cl)c1	ZINC000013981369	563005224	/nfs/dbraw/zinc/00/52/24/563005224.db2.gz	DRDLRRVMXCWHEK-MSOLQXFVSA-N	1	0	475.058	4.279	1	0		JIAFRO
C[C@H](Nc1c(-c2c(F)cc(OCCC[NH+](C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000013981127	563005239	/nfs/dbraw/zinc/00/52/39/563005239.db2.gz	ZSLWBWNJXMEWNY-JTQLQIEISA-N	1	0	478.853	4.416	1	0		JIAFRO
COc1ccc(-n2ccc(C[NH+]3CCC(NC(=O)COc4cccc(Cl)c4)CC3)c2)cc1	ZINC000013983791	563005396	/nfs/dbraw/zinc/00/53/96/563005396.db2.gz	STMKNDVTNDOWMY-UHFFFAOYSA-N	1	0	453.970	4.299	1	0		JIAFRO
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21	ZINC000014951022	563007128	/nfs/dbraw/zinc/00/71/28/563007128.db2.gz	XIAQRAMGKZHVGC-UZKOGDIHSA-N	1	0	463.603	4.360	1	0		JIAFRO
CC(C)OCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1	ZINC000015936504	563012112	/nfs/dbraw/zinc/01/21/12/563012112.db2.gz	LBPBNPOAXMEMQD-UHFFFAOYSA-N	1	0	495.589	4.322	3	0		JIAFRO
OC1(c2ccc3c(c2)OCO3)CCC([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC1	ZINC000022926640	563017620	/nfs/dbraw/zinc/01/76/20/563017620.db2.gz	RRUGXGDGGHHIOT-UHFFFAOYSA-N	1	0	473.411	4.126	1	0		JIAFRO
Brc1cc(Br)cc(COC[C@@H](c2ccccc2)N2CC[NH2+]CC2)c1	ZINC000022926758	563017762	/nfs/dbraw/zinc/01/77/62/563017762.db2.gz	PYALTOQQRPEMLM-IBGZPJMESA-N	1	0	454.206	4.375	1	0		JIAFRO
COc1ccc(OCCC[N@@H+]2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)cc1OC	ZINC000022930489	563018192	/nfs/dbraw/zinc/01/81/92/563018192.db2.gz	IZTIJQDBLLGYFY-JOCHJYFZSA-N	1	0	470.610	4.013	1	0		JIAFRO
C[C@@H](C[NH+]1CCN(CC(F)(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000022931038	563018418	/nfs/dbraw/zinc/01/84/18/563018418.db2.gz	WLPFIOOWKOLXJM-IBGZPJMESA-N	1	0	482.554	4.487	1	0		JIAFRO
O[C@H](COc1cccc2cnccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934108	563018673	/nfs/dbraw/zinc/01/86/73/563018673.db2.gz	VTMYSQYPVDIAEB-SANMLTNESA-N	1	0	453.586	4.382	1	0		JIAFRO
O[C@@H](COc1cccc2cnccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934104	563018708	/nfs/dbraw/zinc/01/87/08/563018708.db2.gz	VTMYSQYPVDIAEB-AREMUKBSSA-N	1	0	453.586	4.382	1	0		JIAFRO
O[C@H](COc1cccc2ncccc21)CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000022934468	563018935	/nfs/dbraw/zinc/01/89/35/563018935.db2.gz	ZKGIFGXNCCPBBF-SANMLTNESA-N	1	0	467.613	4.424	1	0		JIAFRO
[NH3+][C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000023360834	563020051	/nfs/dbraw/zinc/02/00/51/563020051.db2.gz	RYTXLXDKGBGSQO-HHHXNRCGSA-N	1	0	465.588	4.258	1	0		JIAFRO
CN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccccc2)CC1	ZINC000027081067	563038998	/nfs/dbraw/zinc/03/89/98/563038998.db2.gz	MVQDDDPVGORFBZ-SANMLTNESA-N	1	0	453.590	4.189	1	0		JIAFRO
COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1cccc(C)c1	ZINC000027519709	563044764	/nfs/dbraw/zinc/04/47/64/563044764.db2.gz	CXMYVFCHMOZRRY-CNPKUOIJSA-N	1	0	455.558	4.123	1	0		JIAFRO
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1cccc(C)c1	ZINC000027519711	563044793	/nfs/dbraw/zinc/04/47/93/563044793.db2.gz	CXMYVFCHMOZRRY-AWRZONTFSA-N	1	0	455.558	4.123	1	0		JIAFRO
COc1ccccc1C1CC[NH+](CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1	ZINC000027651441	563048606	/nfs/dbraw/zinc/04/86/06/563048606.db2.gz	YMNMPQRISIFNCA-UHFFFAOYSA-N	1	0	458.653	4.159	1	0		JIAFRO
COc1cncc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000027707066	563049638	/nfs/dbraw/zinc/04/96/38/563049638.db2.gz	JGSINKVOXADLIY-CCEZHUSRSA-N	1	0	484.644	4.407	1	0		JIAFRO
CCC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1	ZINC000027759000	563051370	/nfs/dbraw/zinc/05/13/70/563051370.db2.gz	HNHMOAQGJVBTST-FCHUYYIVSA-N	1	0	462.999	4.412	1	0		JIAFRO
Cc1ccc(Cl)c(O[C@@H](C(C)C)[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1	ZINC000028333066	563059701	/nfs/dbraw/zinc/05/97/01/563059701.db2.gz	BOWNRQWYUOTCCD-UPVQGACJSA-N	1	0	458.002	4.393	1	0		JIAFRO
O=C(NCCC[NH+]1CCCC1)OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000028880091	563084624	/nfs/dbraw/zinc/08/46/24/563084624.db2.gz	XMVXRDVOJDNQTO-NRFANRHFSA-N	1	0	492.041	4.062	1	0		JIAFRO
C[NH+](C)CCCOCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12	ZINC000028901077	563086112	/nfs/dbraw/zinc/08/61/12/563086112.db2.gz	NKAFAOZJYRUFSQ-UHFFFAOYSA-N	1	0	473.556	4.478	1	0		JIAFRO
CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+](C)C)cc2)C(=O)NC3=O)c1	ZINC000029050531	563092988	/nfs/dbraw/zinc/09/29/88/563092988.db2.gz	NKQUSYWUVWJWRR-MYYYXRDXSA-N	1	0	454.530	4.417	1	0		JIAFRO
CSc1ccc(C2(O)CC[NH+](C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)CC2)cc1	ZINC000029125588	563094843	/nfs/dbraw/zinc/09/48/43/563094843.db2.gz	LBXFIDFSGUKKQW-UHFFFAOYSA-N	1	0	481.083	4.199	1	0		JIAFRO
CCc1nc2c(ccc3c2CC[N@H+](CCCSc2nnc(-c4ocnc4C)n2C)CC3)o1	ZINC000029127322	563095720	/nfs/dbraw/zinc/09/57/20/563095720.db2.gz	FRHJULSNWZOUMW-UHFFFAOYSA-N	1	0	452.584	4.065	1	0		JIAFRO
Cc1nc2ccc3c(c2s1)CC[N@H+](CCCSc1nnc(-c2ocnc2C)n1C)CC3	ZINC000029127443	563095735	/nfs/dbraw/zinc/09/57/35/563095735.db2.gz	IMFZWBPHAPCFAZ-UHFFFAOYSA-N	1	0	454.625	4.280	1	0		JIAFRO
CC(=O)c1c(=O)n(C[C@H](O)C[NH2+]C(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1	ZINC000029210091	563098483	/nfs/dbraw/zinc/09/84/83/563098483.db2.gz	FSLOCJIITKZHNS-HXUWFJFHSA-N	1	0	474.388	4.446	1	0		JIAFRO
O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CC[NH2+][C@H](CCO)C3)cc12	ZINC000029321658	563100213	/nfs/dbraw/zinc/10/02/13/563100213.db2.gz	AMGPQKPUEYAJPL-JOCHJYFZSA-N	1	0	450.579	4.055	1	0		JIAFRO
CC(C)([NH3+])C(=O)N[C@H](Cc1cccc2ccccc21)C(=O)N1CCC2(CCc3ccccc32)CC1	ZINC000029465124	563104061	/nfs/dbraw/zinc/10/40/61/563104061.db2.gz	PWKGJMUWBXQUAM-AREMUKBSSA-N	1	0	469.629	4.111	1	0		JIAFRO
NC(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000034289874	563112950	/nfs/dbraw/zinc/11/29/50/563112950.db2.gz	DFTYRSZAAHOFNM-UHFFFAOYSA-N	1	0	480.555	4.481	1	0		JIAFRO
C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)cc2)CC[NH2+]1	ZINC000034849835	563116889	/nfs/dbraw/zinc/11/68/89/563116889.db2.gz	DNXDIZDCMLZGSW-LJQANCHMSA-N	1	0	474.571	4.145	1	0		JIAFRO
COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)N(C(=O)C[NH+]1CCCCC1)CC2	ZINC000035033993	563118429	/nfs/dbraw/zinc/11/84/29/563118429.db2.gz	ZAKWDFLHDNUFNJ-XMMPIXPASA-N	1	0	473.411	4.426	1	0		JIAFRO
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(N)=[NH2+])cc(C(C)=O)c1	ZINC000036093274	563122207	/nfs/dbraw/zinc/12/22/07/563122207.db2.gz	FVWTYUWMRRCCPG-CPJSRVTESA-N	1	0	495.599	4.349	1	0		JIAFRO
Cn1c(=O)cc(NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(OC(F)(F)F)ccc21	ZINC000036126672	563122530	/nfs/dbraw/zinc/12/25/30/563122530.db2.gz	FQKQTHDSMSDWPI-UHFFFAOYSA-N	1	0	475.467	4.242	1	0		JIAFRO
CC[C@@H](c1nn2cc(Cl)cc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000036184699	563123680	/nfs/dbraw/zinc/12/36/80/563123680.db2.gz	HLMSMLBYLICYCM-QHCPKHFHSA-N	1	0	492.023	4.448	1	0		JIAFRO
CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(O)cc2)CC1	ZINC000036285921	563125343	/nfs/dbraw/zinc/12/53/43/563125343.db2.gz	BKNGEENZVXVBSH-NRFANRHFSA-N	1	0	465.516	4.185	1	0		JIAFRO
COc1ccc(NC(=O)c2ccc(C(=[NH2+])N(C)C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1	ZINC000038471950	563134770	/nfs/dbraw/zinc/13/47/70/563134770.db2.gz	LMFPOQCLAWEMKA-UHFFFAOYSA-N	1	0	469.904	4.274	1	0		JIAFRO
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CC[NH+](CC2CC2)CC1	ZINC000038911868	563135803	/nfs/dbraw/zinc/13/58/03/563135803.db2.gz	JPYPBPFTTBKSFS-MUUNZHRXSA-N	1	0	481.587	4.478	1	0		JIAFRO
COc1cccc2c(CCC[N@H+](C3CCC3)[C@H]3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c21	ZINC000040413932	563141118	/nfs/dbraw/zinc/14/11/18/563141118.db2.gz	RSLKSFZREXEPHC-GOSISDBHSA-N	1	0	451.542	4.205	1	0	in-vitro	JIAFRO
CN(C(=O)c1cc2n(c1)CCN(CCc1ccc(C[NH+]3CCCCC3)cc1)C2=O)c1ccccc1	ZINC000040766741	563148349	/nfs/dbraw/zinc/14/83/49/563148349.db2.gz	XHPRUFMEFUSOOV-UHFFFAOYSA-N	1	0	470.617	4.449	1	0		JIAFRO
Cc1ccc2c3c1c1c(n3CCC2)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]42[C@@]3(O)C1	ZINC000040847738	563149439	/nfs/dbraw/zinc/14/94/39/563149439.db2.gz	JFLCCYSKKSFPTN-RYCXQYRLSA-N	1	0	468.597	4.301	1	0		JIAFRO
Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3NC(N)=[NH2+])c2c1	ZINC000040878772	563152678	/nfs/dbraw/zinc/15/26/78/563152678.db2.gz	QMDMBZRAKLLSDM-OALUTQOASA-N	1	0	451.962	4.050	1	0		JIAFRO
C[C@@H](Cn1ccnc1)NC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043014481	563164461	/nfs/dbraw/zinc/16/44/61/563164461.db2.gz	JHYBPHVVKVPUAR-SFHVURJKSA-N	1	0	474.531	4.045	1	0		JIAFRO
O=C(N[C@H](CO)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043065845	563165975	/nfs/dbraw/zinc/16/59/75/563165975.db2.gz	SABBBCPABFDZNM-XMMPIXPASA-N	1	0	486.538	4.493	1	0		JIAFRO
NC(=O)c1cccc(CN2Cc3ccccc3OC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)c1	ZINC000045167371	563173151	/nfs/dbraw/zinc/17/31/51/563173151.db2.gz	CKIXBMDNCWXWNJ-UHFFFAOYSA-N	1	0	481.600	4.091	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)s1	ZINC000045190730	563175622	/nfs/dbraw/zinc/17/56/22/563175622.db2.gz	LIKMDVPEYKEAAG-UHFFFAOYSA-N	1	0	473.639	4.218	1	0		JIAFRO
Fc1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(CCN6CCOCC6)CC5)c4)cc3)nc2c1	ZINC000045209853	563179193	/nfs/dbraw/zinc/17/91/93/563179193.db2.gz	NJLZQYDSEWSLMQ-UHFFFAOYSA-N	1	0	499.634	4.486	1	0		JIAFRO
CC(C)CNc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)ncc1C(=O)NCCc1ccccc1	ZINC000045299772	563185392	/nfs/dbraw/zinc/18/53/92/563185392.db2.gz	REURWKBCNTYIBD-NRFANRHFSA-N	1	0	452.647	4.193	1	0		JIAFRO
O=C(COc1ccccc1Cl)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21	ZINC000045302071	563185981	/nfs/dbraw/zinc/18/59/81/563185981.db2.gz	XMTUEDXPXFCLMS-IBGZPJMESA-N	1	0	462.981	4.141	1	0		JIAFRO
CNC(=O)CN1Cc2ccccc2N(C2CC[NH+](Cc3ccc(C)c4ccccc34)CC2)C1=O	ZINC000049031558	563197821	/nfs/dbraw/zinc/19/78/21/563197821.db2.gz	XAFOABBARHIQGF-UHFFFAOYSA-N	1	0	456.590	4.301	1	0		JIAFRO
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]C[C@@H]1c1cccc(OC(F)(F)F)c1	ZINC000049045710	563199355	/nfs/dbraw/zinc/19/93/55/563199355.db2.gz	CTRQZHLDFMECBD-CVEARBPZSA-N	1	0	451.832	4.022	1	0		JIAFRO
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](C2CCN(C)CC2)CC3)cc1	ZINC000049089677	563202005	/nfs/dbraw/zinc/20/20/05/563202005.db2.gz	ZYCQPGXVJBKVKJ-UHFFFAOYSA-N	1	0	455.668	4.325	1	0		JIAFRO
C[C@H](CCCCNC(=O)C[NH+](C)C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C	ZINC000049803741	563204199	/nfs/dbraw/zinc/20/41/99/563204199.db2.gz	ODNKXBIDTHAPLI-YIIWNSFGSA-N	1	0	460.703	4.446	1	0		JIAFRO
CNC(=O)c1ccc2c(c1)[nH]c(-c1cc(Cc3ccccc3)[nH]n1)c2C[NH2+]Cc1ccncc1	ZINC000049808074	563204270	/nfs/dbraw/zinc/20/42/70/563204270.db2.gz	MLDOWPAPDLNGPX-UHFFFAOYSA-N	1	0	450.546	4.193	1	0		JIAFRO
C[NH+]1CCN(c2ccc(-c3cnc4c(c3)N(Cc3c(F)ccc(F)c3Cl)CCN4)cn2)CC1	ZINC000049808379	563204294	/nfs/dbraw/zinc/20/42/94/563204294.db2.gz	DLWMVUDMPMKGEE-UHFFFAOYSA-N	1	0	470.955	4.259	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1[C@H](O)[C@@](/C=C/CCCCc4ccccc4)(CO)C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000058482373	563206541	/nfs/dbraw/zinc/20/65/41/563206541.db2.gz	FFDLMZVFAMECDN-DWMIXEGQSA-N	1	0	489.656	4.283	1	0		JIAFRO
O=C(Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)cn2cc1-c1cccc(Cl)c1)NC1CCC1	ZINC000058591106	563208122	/nfs/dbraw/zinc/20/81/22/563208122.db2.gz	XDCSZHMFVYGTQE-UHFFFAOYSA-N	1	0	497.039	4.345	1	0		JIAFRO
c1ccc(Cn2nnnc2[C@@H](c2ccc(-c3ccccn3)cc2)N2CCC[N@@H+](C3CCC3)CC2)cc1	ZINC000058599783	563208312	/nfs/dbraw/zinc/20/83/12/563208312.db2.gz	AJZCGKROIWRVES-MUUNZHRXSA-N	1	0	479.632	4.433	1	0		JIAFRO
O=C(/C=C/[C@@H]1CCC[NH2+]1)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c32)C1	ZINC000059128601	563208783	/nfs/dbraw/zinc/20/87/83/563208783.db2.gz	SMQXTKSNVNONRG-BPJJOFIESA-N	1	0	457.962	4.420	1	0		JIAFRO
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1	ZINC000253731843	581100653	/nfs/dbraw/zinc/10/06/53/581100653.db2.gz	BWBARWMGJYTEDQ-AREMUKBSSA-N	1	0	472.614	4.470	1	0		JIAFRO
CCCCC[C@H](C)[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC(=[NH2+])NC	ZINC000085628457	291522763	/nfs/dbraw/zinc/52/27/63/291522763.db2.gz	MUFBDUDXUKRSRU-GMHONNGPSA-N	1	0	493.689	4.373	1	0	biogenic,in-vitro	JIAFRO
O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000004199830	194384328	/nfs/dbraw/zinc/38/43/28/194384328.db2.gz	GPLHYXPUZDDDEK-BZUAXINKSA-N	1	0	453.896	4.117	1	0		JIAFRO
CCOc1ccc(OCCC[N@@H+]2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3=O)C2)cc1	ZINC000002003432	562924389	/nfs/dbraw/zinc/92/43/89/562924389.db2.gz	AOTNQNFFXCDFHA-NRFANRHFSA-N	1	0	468.594	4.034	1	0		JIAFRO
O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1	ZINC000004111390	562932538	/nfs/dbraw/zinc/93/25/38/562932538.db2.gz	BELMQVUNPACXST-UHFFFAOYSA-N	1	0	496.652	4.345	3	0		JIAFRO
CC[C@]1(C2CC[NH+](Cc3ccccc3Cl)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O	ZINC000012028448	562958681	/nfs/dbraw/zinc/95/86/81/562958681.db2.gz	MRVZDMKDSISAJS-FQRUVTKNSA-N	1	0	483.996	4.093	1	0		JIAFRO
CC1(C)C[C@H](C(=O)N2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)CCO1	ZINC000012030544	562958748	/nfs/dbraw/zinc/95/87/48/562958748.db2.gz	BKYYMMLEPAZSDU-JOCHJYFZSA-N	1	0	479.621	4.051	1	0		JIAFRO
C[NH+](C)C1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CCCCC1	ZINC000012526225	562960525	/nfs/dbraw/zinc/96/05/25/562960525.db2.gz	QGXUUTYIYLVQIT-UHFFFAOYSA-N	1	0	494.455	4.244	3	0		JIAFRO
COc1ccc([C@@H]2Cc3c(ccc(Br)c3OC)N(CC[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000013450675	562964611	/nfs/dbraw/zinc/96/46/11/562964611.db2.gz	SWFLTIITSZOZAL-CRAIPNDOSA-N	1	0	461.400	4.337	1	0		JIAFRO
COC(=O)c1ccc(-n2cc(C3CC[NH+](CCN4CCNC4=O)CC3)c3cc(Cl)ccc32)cc1	ZINC000013489965	562969106	/nfs/dbraw/zinc/96/91/06/562969106.db2.gz	WQAXQECJUSMGPP-UHFFFAOYSA-N	1	0	480.996	4.275	1	0		JIAFRO
O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1	ZINC000013493012	562970138	/nfs/dbraw/zinc/97/01/38/562970138.db2.gz	TZOUCQOJXCRYRE-UHFFFAOYSA-N	1	0	484.579	4.431	1	0		JIAFRO
O=C(CCC1CCCCC1)NCCN1C2=[NH+]C[C@@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1	ZINC000013545599	562973187	/nfs/dbraw/zinc/97/31/87/562973187.db2.gz	MYHQHPUWOWUUQI-KAYWLYCHSA-N	1	0	488.676	4.379	3	0		JIAFRO
COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc54)[C@H](C)C3)cc21	ZINC000013587197	562976959	/nfs/dbraw/zinc/97/69/59/562976959.db2.gz	MAOCCUAKRQNENS-KURKYZTESA-N	1	0	493.629	4.498	1	0		JIAFRO
C=CC(=O)Nc1cc2c(cc1N1CC[NH+](C)CC1)ncnc2Nc1cccc(Br)c1	ZINC000013671613	562982530	/nfs/dbraw/zinc/98/25/30/562982530.db2.gz	DYEVORTZJPUZJF-UHFFFAOYSA-N	1	0	467.371	4.012	1	0		JIAFRO
CC1(C)CC(=O)N(C2CCC([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1	ZINC000013678537	562983751	/nfs/dbraw/zinc/98/37/51/562983751.db2.gz	SWCGWBOIEXHVNM-UHFFFAOYSA-N	1	0	451.533	4.314	1	0		JIAFRO
CC[NH+](CC)CCCNC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F	ZINC000013740053	562986685	/nfs/dbraw/zinc/98/66/85/562986685.db2.gz	UAUCQXCTBXUMAS-UHFFFAOYSA-N	1	0	451.518	4.476	1	0		JIAFRO
Cc1ccc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(c2ccccc2)c2ccccc2)c1	ZINC000013779037	562991339	/nfs/dbraw/zinc/99/13/39/562991339.db2.gz	CCNUHRBZPSRBGO-AHKZPQOWSA-N	1	0	455.602	4.070	1	0		JIAFRO
COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000013799254	562993651	/nfs/dbraw/zinc/99/36/51/562993651.db2.gz	ZQXFXKCGLPBESS-HHHXNRCGSA-N	1	0	470.529	4.011	1	0		JIAFRO
COC[C@H](NC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000013802555	562994538	/nfs/dbraw/zinc/99/45/38/562994538.db2.gz	COUOPYDUWJXPLJ-MHZLTWQESA-N	1	0	476.600	4.262	1	0		JIAFRO
COc1ccccc1CC(=O)N(C)C[C@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1	ZINC000013835157	563001264	/nfs/dbraw/zinc/00/12/64/563001264.db2.gz	APNBVGOWKCRABK-RUZDIDTESA-N	1	0	493.648	4.116	1	0		JIAFRO
CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)c1coc2ccc(C(N)=[NH2+])cc21	ZINC000014951085	563007199	/nfs/dbraw/zinc/00/71/99/563007199.db2.gz	ALQRDVOSAXNUHX-NWSQWKLXSA-N	1	0	461.562	4.281	1	0		JIAFRO
CCn1c2cc(Oc3cccc(NC(=O)c4ccc(C[NH+](C)C)cc4)c3)ncc2nc1-c1nonc1N	ZINC000014954322	563007304	/nfs/dbraw/zinc/00/73/04/563007304.db2.gz	JMQZNOXDUCVFRY-UHFFFAOYSA-N	1	0	498.547	4.190	1	0		JIAFRO
CS(=O)(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H](O)c2cc(Br)cs2)cc1	ZINC000014966893	563009302	/nfs/dbraw/zinc/00/93/02/563009302.db2.gz	XAZPZATZJWZAFY-LJQANCHMSA-N	1	0	496.448	4.316	1	0		JIAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)nc(C1CCCC1)n2Cc1ccc(S(C)(=O)=O)cc1	ZINC000014970687	563009609	/nfs/dbraw/zinc/00/96/09/563009609.db2.gz	VLHZQLDSBFPCII-UHFFFAOYSA-N	1	0	490.633	4.330	1	0		JIAFRO
CN(C[C@H](CC[NH+]1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000022930535	563018230	/nfs/dbraw/zinc/01/82/30/563018230.db2.gz	IVTHAPWFCZUPEF-NRFANRHFSA-N	1	0	476.448	4.256	1	0		JIAFRO
Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@H]2[NH+]1CCN(CCN2CCN(C(C)C)C2=O)CC1	ZINC000022940801	563019764	/nfs/dbraw/zinc/01/97/64/563019764.db2.gz	RYLUFOUUBWPVCW-AHKZPQOWSA-N	1	0	464.629	4.474	1	0		JIAFRO
CC(C)C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1	ZINC000026283482	563025515	/nfs/dbraw/zinc/02/55/15/563025515.db2.gz	YCSRTJWGTJHQKF-LXWOLXCRSA-N	1	0	489.701	4.279	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](c4ccc(Br)cc4)C[C@@H]4[C@@H](C2)[N@@H+](C2CC2)CC[C@]314	ZINC000026832434	563036369	/nfs/dbraw/zinc/03/63/69/563036369.db2.gz	FXHHREDNDXXDGL-NVSPUQMWSA-N	1	0	468.391	4.111	1	0		JIAFRO
O=C1CC2(CCCC2)CC(=O)N1CCCC[N@@H+]1CCCN(c2nsc3ccccc32)CC1	ZINC000027194607	563041136	/nfs/dbraw/zinc/04/11/36/563041136.db2.gz	AEOVKEFMKKZVSG-UHFFFAOYSA-N	1	0	454.640	4.298	1	0		JIAFRO
C[C@@H]1C(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)C(=O)[C@H]1C	ZINC000027204699	563041596	/nfs/dbraw/zinc/04/15/96/563041596.db2.gz	VVAKFMYPSHJCMB-QNWVGRARSA-N	1	0	462.590	4.334	1	0		JIAFRO
CC[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCc3ccccc3)C2)C1=O	ZINC000027206181	563041736	/nfs/dbraw/zinc/04/17/36/563041736.db2.gz	MNZKKAABVMTCFU-GOTSBHOMSA-N	1	0	462.590	4.478	1	0		JIAFRO
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccccc1C	ZINC000027519715	563044775	/nfs/dbraw/zinc/04/47/75/563044775.db2.gz	QKJGJPYSYJQOIN-ULYWAXSHSA-N	1	0	455.558	4.123	1	0		JIAFRO
CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)CCC(=O)OCc1ccccc1	ZINC000027522735	563045106	/nfs/dbraw/zinc/04/51/06/563045106.db2.gz	JEJDPIGGWJSKQS-NRFANRHFSA-N	1	0	473.548	4.121	1	0		JIAFRO
CCC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1	ZINC000027759015	563051391	/nfs/dbraw/zinc/05/13/91/563051391.db2.gz	HNHMOAQGJVBTST-VXKWHMMOSA-N	1	0	462.999	4.412	1	0		JIAFRO
[NH3+][C@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@H](c1ccccc1F)CS2)c1ccccc1	ZINC000028121811	563056812	/nfs/dbraw/zinc/05/68/12/563056812.db2.gz	WVAOLSBXBIROBU-YADHBBJMSA-N	1	0	477.536	4.350	1	0		JIAFRO
CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)C1)[C@@H]1CC[N@H+](C)C1	ZINC000028460897	563064481	/nfs/dbraw/zinc/06/44/81/563064481.db2.gz	DSXAGGWSCJPQSH-MOPGFXCFSA-N	1	0	494.583	4.336	1	0		JIAFRO
COc1ccc2nccc(-n3ncc4c3CC[C@@H]([NH2+]Cc3ccc5c(c3)NC(=O)CS5)C4)c2c1	ZINC000028703206	563074844	/nfs/dbraw/zinc/07/48/44/563074844.db2.gz	OHYUCHBMOYNPLB-GOSISDBHSA-N	1	0	471.586	4.120	1	0		JIAFRO
Cc1ccc(O)c(Cn2c3cccc(C)c3nc2NC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)n1	ZINC000028710363	563076075	/nfs/dbraw/zinc/07/60/75/563076075.db2.gz	YPULKFFGNHVHJX-QHCPKHFHSA-N	1	0	451.615	4.085	1	0		JIAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc3c(cc2C1)OCO3	ZINC000028766498	563078671	/nfs/dbraw/zinc/07/86/71/563078671.db2.gz	NICLIIXTMHASHP-OAQYLSRUSA-N	1	0	455.551	4.249	1	0		JIAFRO
CCCCN1C(=O)[C@H](CC(C)(C)O)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2	ZINC000028817810	563079893	/nfs/dbraw/zinc/07/98/93/563079893.db2.gz	IRXUDUAPLGUWQS-VWLOTQADSA-N	1	0	493.648	4.102	1	0		JIAFRO
O=C(NCCC[NH+]1CCCC1)OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000028880083	563084626	/nfs/dbraw/zinc/08/46/26/563084626.db2.gz	XMVXRDVOJDNQTO-OAQYLSRUSA-N	1	0	492.041	4.062	1	0		JIAFRO
c1cnn(-c2ccc([C@@H]3C[N@@H+]4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)c1	ZINC000028903352	563086369	/nfs/dbraw/zinc/08/63/69/563086369.db2.gz	JCEWQICHOLLRDL-WUFINQPMSA-N	1	0	458.606	4.256	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl	ZINC000029125684	563094906	/nfs/dbraw/zinc/09/49/06/563094906.db2.gz	OBKBVNXZCFTQGL-UHFFFAOYSA-N	1	0	477.841	4.299	1	0		JIAFRO
Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)c(C)c34)c2F)[nH]1	ZINC000029134381	563097902	/nfs/dbraw/zinc/09/79/02/563097902.db2.gz	VZHIANMMOJDSFV-SZNDQCEHSA-N	1	0	469.517	4.053	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH+](C)C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc2ccccc21	ZINC000029414013	563103506	/nfs/dbraw/zinc/10/35/06/563103506.db2.gz	SVRPGADJVYLSRW-NOGAPMQYSA-N	1	0	452.551	4.209	1	0		JIAFRO
O=C1CNC(=O)N1CCCCCC[N@@H+]1CC[C@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@@H]2C1	ZINC000036093052	563122115	/nfs/dbraw/zinc/12/21/15/563122115.db2.gz	VGQADOOVESUGBM-XUZZJYLKSA-N	1	0	468.548	4.387	1	0		JIAFRO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C(=O)OC)CCCC[N@H+]1[C@@H]2c1ccc(SC2CCCCC2)cc1	ZINC000036386483	563128792	/nfs/dbraw/zinc/12/87/92/563128792.db2.gz	IZIGZCLXZFSXRN-BILGYAHESA-N	1	0	470.635	4.185	3	0		JIAFRO
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](C[N@H+]1CC[C@@H](O)C1)O2	ZINC000038149714	563132146	/nfs/dbraw/zinc/13/21/46/563132146.db2.gz	LZNGOWRILRYSPJ-RTBURBONSA-N	1	0	495.004	4.007	1	0		JIAFRO
Cc1ccc(C(=O)Nc2ccc(C[N@@H+](C)C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1	ZINC000038245820	563133483	/nfs/dbraw/zinc/13/34/83/563133483.db2.gz	KRPOQNQXWILNNL-HHHXNRCGSA-N	1	0	491.542	4.137	1	0		JIAFRO
Cn1c2nc(Nc3ccc(NC(=O)CC[NH3+])cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O	ZINC000038576766	563135134	/nfs/dbraw/zinc/13/51/34/563135134.db2.gz	BYRBUVTUGSOTSC-UHFFFAOYSA-N	1	0	483.359	4.333	1	0		JIAFRO
CCCC1(CCC)C[C@@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)n2c1c(Cl)nc(NC1CCC1)c2=O	ZINC000038912638	563135804	/nfs/dbraw/zinc/13/58/04/563135804.db2.gz	RYWJKIRGSBMQLN-IBGZPJMESA-N	1	0	499.059	4.244	1	0		JIAFRO
C[NH+](C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CC[C@H]4O)c3c2-c2ccccc2)cc1	ZINC000039470904	563136836	/nfs/dbraw/zinc/13/68/36/563136836.db2.gz	KETKNUMQXCOGMK-RBBKRZOGSA-N	1	0	457.578	4.415	1	0		JIAFRO
FC(F)(F)c1nc2cc(N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)ccc2[nH]1	ZINC000040379641	563137307	/nfs/dbraw/zinc/13/73/07/563137307.db2.gz	XNXRGYYNVBMFHI-UHFFFAOYSA-N	1	0	462.501	4.322	1	0		JIAFRO
Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c([nH+]1)N(c1ccc(OC(F)(F)F)cc1C)CC2	ZINC000040847862	563149438	/nfs/dbraw/zinc/14/94/38/563149438.db2.gz	XQVNYKVZIKLUST-UHFFFAOYSA-N	1	0	458.444	4.007	1	0		JIAFRO
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1cnc2ccccc2c1	ZINC000040951551	563159676	/nfs/dbraw/zinc/15/96/76/563159676.db2.gz	HUPWJKZBMGOXCR-UHFFFAOYSA-N	1	0	468.586	4.269	1	0		JIAFRO
Brc1ccc(Cc2noc(-c3cn(CC[NH+]4CCOCC4)c4ccccc34)n2)cc1	ZINC000040953564	563160274	/nfs/dbraw/zinc/16/02/74/563160274.db2.gz	CDLABKJCYUMROI-UHFFFAOYSA-N	1	0	467.367	4.377	1	0		JIAFRO
COc1cccc2c1O[C@H](c1ccc(OC3CC[NH+](C4CCC4)CC3)cc1)[C@H](C)S2(=O)=O	ZINC000043018540	563164833	/nfs/dbraw/zinc/16/48/33/563164833.db2.gz	NCWCOECPJGISBA-XDHUDOTRSA-N	1	0	457.592	4.387	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(C[NH2+]Cc3ccc(F)cc3)c2)cc1F	ZINC000045167805	563173409	/nfs/dbraw/zinc/17/34/09/563173409.db2.gz	IUGOWBOIQZYFAX-UHFFFAOYSA-N	1	0	485.600	4.296	1	0		JIAFRO
CC(C)[NH+]1CCC(NC(=O)N2CCCN(c3ncnc4cc(-c5ccccc5)sc43)CC2)CC1	ZINC000045168507	563173781	/nfs/dbraw/zinc/17/37/81/563173781.db2.gz	WFXMSCFVPMWCLS-UHFFFAOYSA-N	1	0	478.666	4.453	1	0		JIAFRO
COc1ccc2ncc(F)c(CCN3CCC([NH2+]Cc4cc5c(cn4)OCCS5)CC3)c2c1	ZINC000045191705	563175877	/nfs/dbraw/zinc/17/58/77/563175877.db2.gz	IGSMWKVAAPIPSU-UHFFFAOYSA-N	1	0	468.598	4.059	1	0		JIAFRO
Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]CCNC(=O)c5ccnn5C)cc4)c3)nc21	ZINC000045201903	563178510	/nfs/dbraw/zinc/17/85/10/563178510.db2.gz	KGPJFIQYVMDDSR-UHFFFAOYSA-N	1	0	464.573	4.458	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH+]3Cc4ccccc4C3)cc2)s1	ZINC000045211413	563179634	/nfs/dbraw/zinc/17/96/34/563179634.db2.gz	YYJSQXWZIPQWRD-UHFFFAOYSA-N	1	0	467.660	4.305	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCCN2C(=O)c3cccc4c(N)ccc(c43)C2=O)CC1	ZINC000045301287	563185758	/nfs/dbraw/zinc/18/57/58/563185758.db2.gz	LNLAIHRJMZPBPK-UHFFFAOYSA-N	1	0	472.589	4.019	1	0		JIAFRO
C[NH+](C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1	ZINC000045339231	563190992	/nfs/dbraw/zinc/19/09/92/563190992.db2.gz	DXAVMMHZLHOUCW-UHFFFAOYSA-N	1	0	479.968	4.075	1	0		JIAFRO
CCNc1nc(-c2ccoc2)c(-c2cnc3n[nH]c(C)c3n2)cc1OC[C@@H]([NH3+])Cc1ccccc1	ZINC000045349847	563191647	/nfs/dbraw/zinc/19/16/47/563191647.db2.gz	CEKSBBZAKLNEBU-IBGZPJMESA-N	1	0	469.549	4.364	1	0		JIAFRO
CCN(CC)C(=O)c1ccc([C@@]2(c3cccc(C(N)=O)c3)CCC[N@H+](Cc3nccs3)C2)cc1	ZINC000045354119	563192101	/nfs/dbraw/zinc/19/21/01/563192101.db2.gz	KUMWGYXMHZMCTE-HHHXNRCGSA-N	1	0	476.646	4.306	1	0		JIAFRO
C[C@H](Nc1nccc(N(C[C@H]2CCC[NH2+]C2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1	ZINC000049067441	563200796	/nfs/dbraw/zinc/20/07/96/563200796.db2.gz	TWZNWJOWCOVCBL-PMACEKPBSA-N	1	0	457.578	4.231	1	0		JIAFRO
O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1)c1cccc(F)c1)C1CCCC1	ZINC000058538434	563207047	/nfs/dbraw/zinc/20/70/47/563207047.db2.gz	JGBBHXBCJXJJSH-ARNLJNQMSA-N	1	0	455.618	4.144	1	0		JIAFRO
Cc1cc2c(cc1F)nc1c(c2C[NH2+]CCCn2ccnc2)Cn2c-1cc1ccccc1c2=O	ZINC000058541468	563207148	/nfs/dbraw/zinc/20/71/48/563207148.db2.gz	IYKMCWKRKRBVRA-UHFFFAOYSA-N	1	0	453.521	4.402	1	0		JIAFRO
CCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC1CC[NH+](C)CC1	ZINC000058603542	563208438	/nfs/dbraw/zinc/20/84/38/563208438.db2.gz	ATIUDCBCVSICHD-UHFFFAOYSA-N	1	0	452.418	4.318	1	0		JIAFRO
C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@@H](OC(=O)CN1CCC(O)CC1)C2	ZINC000059298412	563209074	/nfs/dbraw/zinc/20/90/74/563209074.db2.gz	PZDNXCCXVDVOLA-CCPQUMGHSA-N	1	0	462.634	4.037	1	0		JIAFRO
C[NH+](C)[C@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000060325825	563209468	/nfs/dbraw/zinc/20/94/68/563209468.db2.gz	SZOUKQKLAZNOSX-HNNXBMFYSA-N	1	0	451.361	4.199	1	0		JIAFRO
COc1cccc([C@@H](NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c2ccccn2)c1	ZINC000061895886	563209749	/nfs/dbraw/zinc/20/97/49/563209749.db2.gz	KEQZHWITOLDNNQ-HHHXNRCGSA-N	1	0	459.590	4.477	3	0		JIAFRO
CCc1sc(C(=O)N[C@@H]2[C@H]([NH3+])CCCC2(F)F)cc1-c1cnn2cc(C(F)(F)F)cnc12	ZINC000146732244	447924699	/nfs/dbraw/zinc/92/46/99/447924699.db2.gz	QXXZIVGTJXYLQO-CZUORRHYSA-N	1	0	473.471	4.284	1	0	in-vitro	JIAFRO
Cc1noc2c1c(=O)n(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)nc2-c1ccccc1	ZINC000001491937	562920411	/nfs/dbraw/zinc/92/04/11/562920411.db2.gz	NKYYDZOPTBYOLZ-UHFFFAOYSA-N	1	0	463.969	4.226	1	0		JIAFRO
CC(C)COC(=O)CNC(=O)[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1	ZINC000003782344	562927834	/nfs/dbraw/zinc/92/78/34/562927834.db2.gz	MQZOZIODQPLFRF-IQANXLHVSA-N	1	0	480.649	4.166	1	0		JIAFRO
CC(=[NH2+])N1CCC(Oc2ccc([C@H](Cc3ccc4ccc(C(N)=[NH2+])cc4c3)C(=O)[O-])cc2)CC1	ZINC000003791140	562928237	/nfs/dbraw/zinc/92/82/37/562928237.db2.gz	FZLDAJVXFYWRCX-VWLOTQADSA-N	1	0	458.562	4.375	1	0	in-vitro	JIAFRO
Oc1ccc2c3c1O[C@H]1c4c(c5cc(F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000003985503	562931491	/nfs/dbraw/zinc/93/14/91/562931491.db2.gz	TYHUVMCMIRSIAI-KZNIJNHCSA-N	1	0	472.560	4.131	1	0		JIAFRO
C[N@@H+]1CCC[C@H]1CCNC(=O)OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000003990885	562931687	/nfs/dbraw/zinc/93/16/87/562931687.db2.gz	LCGHSPJRPTUKNI-SFTDATJTSA-N	1	0	492.041	4.061	1	0		JIAFRO
CC(=O)N1CCN(Cc2cc(C)cc(Nc3nccc(-n4ccnc4-c4ccccc4)n3)c2)CC1	ZINC000013489745	562968805	/nfs/dbraw/zinc/96/88/05/562968805.db2.gz	DSBLOQJREHHYBA-UHFFFAOYSA-N	1	0	467.577	4.045	1	0		JIAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c(n(CCc4ccccc4)c1[C@@H]3O5)CCCC2	ZINC000013586590	562976700	/nfs/dbraw/zinc/97/67/00/562976700.db2.gz	LQQGHYQRJMGRFW-CBZTZNMZSA-N	1	0	482.624	4.234	1	0		JIAFRO
C=CC(=O)Nc1nc2c(cc1CCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1	ZINC000013806966	562995274	/nfs/dbraw/zinc/99/52/74/562995274.db2.gz	VHRIFFSWPSMYNR-UHFFFAOYSA-N	1	0	484.963	4.340	1	0		JIAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCCCn3c(=O)[nH]c4c5ccccc5sc4c3=O)C[C@@H]21	ZINC000013807858	562995411	/nfs/dbraw/zinc/99/54/11/562995411.db2.gz	PJUNYVKXGHDWBR-LAUBAEHRSA-N	1	0	475.614	4.355	1	0		JIAFRO
O=C(c1ccc(F)cc1)C1CC[NH+](CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1	ZINC000013823466	562998030	/nfs/dbraw/zinc/99/80/30/562998030.db2.gz	YGCLJBSIKQLHLJ-UHFFFAOYSA-N	1	0	452.551	4.473	1	0		JIAFRO
O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000013839379	563001577	/nfs/dbraw/zinc/00/15/77/563001577.db2.gz	NNWJWMQRYGBQGY-UHFFFAOYSA-N	1	0	489.019	4.408	1	0		JIAFRO
O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000022930346	563018121	/nfs/dbraw/zinc/01/81/21/563018121.db2.gz	FLEXENSQDQMATB-SANMLTNESA-N	1	0	458.602	4.060	1	0		JIAFRO
O[C@@H](COc1cccc2ncccc21)CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000022934463	563018863	/nfs/dbraw/zinc/01/88/63/563018863.db2.gz	ZKGIFGXNCCPBBF-AREMUKBSSA-N	1	0	467.613	4.424	1	0		JIAFRO
COc1ccc(CC(=O)NC[C@@H](c2ccccc2OC)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022940884	563019722	/nfs/dbraw/zinc/01/97/22/563019722.db2.gz	IPHLJEAOWLQDBF-SANMLTNESA-N	1	0	465.638	4.054	1	0		JIAFRO
COc1ccc(OC[C@H](O)C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1	ZINC000026148249	563022333	/nfs/dbraw/zinc/02/23/33/563022333.db2.gz	HHYUHLAZLCUWCM-RUZDIDTESA-N	1	0	460.574	4.246	1	0		JIAFRO
NC(=[NH2+])c1ccc(C(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000026392557	563027291	/nfs/dbraw/zinc/02/72/91/563027291.db2.gz	PFFXQKXVYQGMMV-UHFFFAOYSA-N	1	0	497.643	4.344	1	0		JIAFRO
NC(=[NH2+])c1ccc(C(=O)NC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000026397238	563027411	/nfs/dbraw/zinc/02/74/11/563027411.db2.gz	NRCKOPRSVUPGMR-UHFFFAOYSA-N	1	0	483.616	4.097	1	0		JIAFRO
CN(C(=O)CNC(=O)C[NH2+]CCc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl	ZINC000026639204	563031483	/nfs/dbraw/zinc/03/14/83/563031483.db2.gz	QDMUSRSAMCSIBN-UHFFFAOYSA-N	1	0	498.410	4.136	1	0		JIAFRO
Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@@H]2[NH+]1CCN(CCN2CCN(C(C)C)C2=O)CC1	ZINC000026659080	563032647	/nfs/dbraw/zinc/03/26/47/563032647.db2.gz	RYLUFOUUBWPVCW-VPUSJEBWSA-N	1	0	464.629	4.474	1	0		JIAFRO
CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1	ZINC000026966602	563038194	/nfs/dbraw/zinc/03/81/94/563038194.db2.gz	UBBHQAMZVMCWJO-QHCPKHFHSA-N	1	0	466.047	4.127	1	0		JIAFRO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccccc1)c1ccc(I)cc1)[N@@H+]2C	ZINC000027203592	563041539	/nfs/dbraw/zinc/04/15/39/563041539.db2.gz	YNLQRXLPKBOEEW-PPGORRQASA-N	1	0	491.369	4.422	1	0		JIAFRO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1csc3cc(O)ccc13)CC2	ZINC000028093313	563055793	/nfs/dbraw/zinc/05/57/93/563055793.db2.gz	WMYOWFNTHQNFQM-UHFFFAOYSA-N	1	0	468.619	4.116	1	0		JIAFRO
Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N(C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1	ZINC000028235183	563058404	/nfs/dbraw/zinc/05/84/04/563058404.db2.gz	PQFWDEHWRAAFCF-UHFFFAOYSA-N	1	0	493.564	4.016	1	0		JIAFRO
CC(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC(C)(C)C[NH3+]	ZINC000028332061	563059608	/nfs/dbraw/zinc/05/96/08/563059608.db2.gz	NCYWJRPNVXVRTI-QHCPKHFHSA-N	1	0	467.610	4.201	1	0		JIAFRO
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000028388869	563063411	/nfs/dbraw/zinc/06/34/11/563063411.db2.gz	CWZJJBPBNGCRNL-UHFFFAOYSA-N	1	0	467.919	4.117	1	0		JIAFRO
O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ncccc1[C@@H](O)c1ccccc1	ZINC000028569076	563070293	/nfs/dbraw/zinc/07/02/93/563070293.db2.gz	SBEZGUMRMQPPQV-MHZLTWQESA-N	1	0	455.602	4.263	1	0		JIAFRO
COc1ccc2nccc(-n3cc4c(n3)CC[C@H]([NH2+]Cc3ccc5c(c3)NC(=O)CS5)C4)c2c1	ZINC000028703200	563074867	/nfs/dbraw/zinc/07/48/67/563074867.db2.gz	USSQNKOMDASVHX-SFHVURJKSA-N	1	0	471.586	4.120	1	0		JIAFRO
COc1ccc(-c2nnc(SCCC[N@@H+]3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cn1	ZINC000028712498	563077061	/nfs/dbraw/zinc/07/70/61/563077061.db2.gz	OHAOVJVRDRFORL-UHFFFAOYSA-N	1	0	490.633	4.432	1	0		JIAFRO
C[C@@H]1CCC[C@H](COC(=O)N2CCC([NH+]3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000028816482	563079565	/nfs/dbraw/zinc/07/95/65/563079565.db2.gz	MFAXLGACINNOJC-DENIHFKCSA-N	1	0	498.089	4.359	1	0		JIAFRO
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH3+])C(C)C)c1	ZINC000028867174	563083907	/nfs/dbraw/zinc/08/39/07/563083907.db2.gz	SSCJBDJJWLFQLZ-ZBLYBZFDSA-N	1	0	499.099	4.338	1	0		JIAFRO
C[NH+](C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@@]2(C)[C@H]4CC[C@@H]2c2cccc4ccncc42)C=C3[C@@H](O)[C@@H]1O	ZINC000028872498	563084189	/nfs/dbraw/zinc/08/41/89/563084189.db2.gz	IEOWZXJCVIOZKX-DZBMUNJRSA-N	1	0	472.629	4.349	1	0		JIAFRO
CC(=O)c1sc(NC(=O)N[C@@H]2CCCO[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975150	563090046	/nfs/dbraw/zinc/09/00/46/563090046.db2.gz	JJILEQNLSXCPPS-NNWRFLSQSA-N	1	0	488.629	4.417	1	0		JIAFRO
CC[N@H+](C)Cc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1	ZINC000029041672	563091763	/nfs/dbraw/zinc/09/17/63/563091763.db2.gz	DIUIGJUQYDIXDX-UHFFFAOYSA-N	1	0	474.565	4.317	1	0		JIAFRO
C[NH+](C)Cc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1	ZINC000029047369	563092633	/nfs/dbraw/zinc/09/26/33/563092633.db2.gz	BGXUDHHWZOVVQE-SANMLTNESA-N	1	0	464.516	4.252	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl	ZINC000029125729	563094894	/nfs/dbraw/zinc/09/48/94/563094894.db2.gz	SQDMYIXNCYLSBW-UHFFFAOYSA-N	1	0	477.841	4.299	1	0		JIAFRO
Clc1cc(Nc2ncnc3[nH]nc(OCC[NH+]4CCCC4)c32)ccc1OCc1ccccn1	ZINC000029128766	563096532	/nfs/dbraw/zinc/09/65/32/563096532.db2.gz	KOQXIMMOAUHZFN-UHFFFAOYSA-N	1	0	465.945	4.199	1	0		JIAFRO
CC(=O)O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532	ZINC000029408710	563103031	/nfs/dbraw/zinc/10/30/31/563103031.db2.gz	CMHPAYHMSLYKNI-CSZVXOJQSA-N	1	0	456.542	4.143	1	0		JIAFRO
CC[NH+](CC)CCOc1ccc(-c2cc(C(=O)Nc3cccc(CO)c3)c(NC(N)=O)s2)cc1	ZINC000034662919	563114545	/nfs/dbraw/zinc/11/45/45/563114545.db2.gz	KDAJOEXXPZUAOV-UHFFFAOYSA-N	1	0	482.606	4.371	1	0		JIAFRO
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C(F)(F)F)cc4)CC3)cc2)CC[NH2+]1	ZINC000034850416	563116918	/nfs/dbraw/zinc/11/69/18/563116918.db2.gz	QATVGEBRHAQFFZ-IBGZPJMESA-N	1	0	474.571	4.145	1	0		JIAFRO
C[C@H](C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1	ZINC000034849865	563116958	/nfs/dbraw/zinc/11/69/58/563116958.db2.gz	HQMIOCCKYFLZIK-HBMCJLEFSA-N	1	0	452.618	4.215	1	0		JIAFRO
COc1ccc(S(=O)(=O)n2ccc3cc(OC(C)C)ccc32)cc1NC1CC[NH+](C)CC1	ZINC000035262115	563119581	/nfs/dbraw/zinc/11/95/81/563119581.db2.gz	MLAKNKKHVMHLQF-UHFFFAOYSA-N	1	0	457.596	4.180	1	0		JIAFRO
C[NH+]1CCN(Cc2cnc3c(cccc3CNC(=O)c3ccc(-c4ccc(F)cc4)nc3)c2)CC1	ZINC000036351719	563126971	/nfs/dbraw/zinc/12/69/71/563126971.db2.gz	OZBLVPSPFSBDPL-UHFFFAOYSA-N	1	0	469.564	4.113	1	0		JIAFRO
Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)C[NH2+]CCO)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C	ZINC000036479212	563130548	/nfs/dbraw/zinc/13/05/48/563130548.db2.gz	BSIGNJSWOZGTNT-ZILOHOTNSA-N	1	0	471.663	4.106	1	0		JIAFRO
COc1cccc(-c2nc3ccc(-c4cccc(C[NH+](C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1	ZINC000036480192	563130607	/nfs/dbraw/zinc/13/06/07/563130607.db2.gz	LPENTUWRJDWCMV-UHFFFAOYSA-N	1	0	484.600	4.325	1	0		JIAFRO
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)nnc2c1	ZINC000038256868	563133595	/nfs/dbraw/zinc/13/35/95/563133595.db2.gz	KZCMQDWEVKEHLN-UHFFFAOYSA-N	1	0	490.633	4.201	1	0		JIAFRO
Cc1c(Br)c(Br)sc1C[NH2+]CCCNc1nc2ccncc2[nH]1	ZINC000038429914	563134350	/nfs/dbraw/zinc/13/43/50/563134350.db2.gz	ZSDZGDHEUMLHPY-UHFFFAOYSA-N	1	0	459.211	4.445	1	0		JIAFRO
CCCCc1nc2ccc(C[NH3+])cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000040465825	563144179	/nfs/dbraw/zinc/14/41/79/563144179.db2.gz	LRSTUXOUCFCSDT-UHFFFAOYSA-N	1	0	465.561	4.093	1	0		JIAFRO
CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCC[C@H]1CCC[N@@H+]1C	ZINC000040933136	563156746	/nfs/dbraw/zinc/15/67/46/563156746.db2.gz	SFSVPKUSQYRTIX-LJQANCHMSA-N	1	0	478.618	4.431	1	0		JIAFRO
CCCC[C@H]1CN(C(=O)NC)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2	ZINC000040934546	563157447	/nfs/dbraw/zinc/15/74/47/563157447.db2.gz	QVVYORMQDXUEAH-QHCPKHFHSA-N	1	0	498.716	4.022	1	0		JIAFRO
Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2cc(C(N)=O)ccc2n1-c1ccccc1	ZINC000043206834	563168832	/nfs/dbraw/zinc/16/88/32/563168832.db2.gz	JQRKLXIVOQTTJS-UHFFFAOYSA-N	1	0	472.520	4.015	1	0		JIAFRO
O=c1cc(NCCC[NH2+]Cc2sc(Br)nc2Br)[nH]c2ccccc12	ZINC000045202347	563178693	/nfs/dbraw/zinc/17/86/93/563178693.db2.gz	DVSZEBYBHVHFLA-UHFFFAOYSA-N	1	0	472.206	4.101	1	0		JIAFRO
Oc1ccc(CCNc2nc(NCc3ccc4cc(Cl)ccc4c3)nc(N3CC[NH2+]CC3)n2)cc1	ZINC000045226625	563179806	/nfs/dbraw/zinc/17/98/06/563179806.db2.gz	PZIJTCRQDIUYAI-UHFFFAOYSA-N	1	0	490.011	4.060	1	0		JIAFRO
[NH2+]=C(Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO	ZINC000045347480	563191342	/nfs/dbraw/zinc/19/13/42/563191342.db2.gz	QJUDXSNINJURLI-UHFFFAOYSA-N	1	0	487.391	4.475	1	0		JIAFRO
CC(C)([NH3+])Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1	ZINC000049020075	563197586	/nfs/dbraw/zinc/19/75/86/563197586.db2.gz	OCWUSFSHBFAEPN-UHFFFAOYSA-N	1	0	466.607	4.131	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3ccc(OC(F)(F)F)cc3)C2)n1C	ZINC000049036650	563198974	/nfs/dbraw/zinc/19/89/74/563198974.db2.gz	SRVOWVHRVJSZKO-HRAATJIYSA-N	1	0	479.528	4.433	1	0		JIAFRO
O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000049037675	563199272	/nfs/dbraw/zinc/19/92/72/563199272.db2.gz	NQDCUSHIGOVWHZ-OAQYLSRUSA-N	1	0	483.568	4.069	1	0		JIAFRO
O=C(/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@H]3Oc4cccc5c4[C@@]31CC[N@H+](CC1CC1)[C@@H]2C5	ZINC000056738478	563206139	/nfs/dbraw/zinc/20/61/39/563206139.db2.gz	LEZJEUHTDDKUOY-PULBSRNCSA-N	1	0	489.015	4.311	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)cn2cc1-c1cccc(Cl)c1	ZINC000058583175	563207880	/nfs/dbraw/zinc/20/78/80/563207880.db2.gz	LKTNUBYKRRIGJO-UHFFFAOYSA-N	1	0	485.028	4.201	1	0		JIAFRO
CCc1cc(O)c(OC)cc1CCC(=O)[C@H]1CC[C@H](CC[C@@H]2C[NH2+][C@@H]3CC(=O)CC[C@@H]3C2)C[C@H]1O	ZINC000085631300	560067973	/nfs/dbraw/zinc/06/79/73/560067973.db2.gz	NGTQQHAAFKOMCP-WRLMNSAASA-N	1	0	485.665	4.370	1	0	biogenic,in-vitro	JIAFRO
CC[C@@H](c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000003819766	562929259	/nfs/dbraw/zinc/92/92/59/562929259.db2.gz	ZIYJFJXAZHKQHG-QHCPKHFHSA-N	1	0	492.023	4.448	1	0		JIAFRO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cncc(Br)c4)ccc3n2)CC1	ZINC000004101564	562932393	/nfs/dbraw/zinc/93/23/93/562932393.db2.gz	WTZHEJCPHJNXFL-UHFFFAOYSA-N	1	0	454.372	4.095	3	0		JIAFRO
CCOC(=O)[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)C1	ZINC000004101451	562932407	/nfs/dbraw/zinc/93/24/07/562932407.db2.gz	BMSUXEZSTGFSIZ-FQEVSTJZSA-N	1	0	474.001	4.317	3	0		JIAFRO
CCCC[NH+](CCCC)CCCNC(=O)Cn1cc2c(n1)-c1c(C)c(C(=O)N3CCCC3)oc1CC2	ZINC000008588905	562941701	/nfs/dbraw/zinc/94/17/01/562941701.db2.gz	AOFHVFPGYSNPSW-UHFFFAOYSA-N	1	0	497.684	4.195	3	0		JIAFRO
C[C@H](NC(=O)[C@H](NC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccccc1)c1cccc(Br)c1	ZINC000013489422	562968659	/nfs/dbraw/zinc/96/86/59/562968659.db2.gz	CYHCXTJUTDNJEJ-YCRPNKLZSA-N	1	0	494.393	4.473	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1	ZINC000013526188	562971499	/nfs/dbraw/zinc/97/14/99/562971499.db2.gz	QHYONRIMRKDWFG-UHFFFAOYSA-N	1	0	471.601	4.258	1	0		JIAFRO
COc1ccc2cc([C@H](C)C(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)ccc2c1	ZINC000013526230	562971578	/nfs/dbraw/zinc/97/15/78/562971578.db2.gz	QXYJJYQLUJICPY-NRFANRHFSA-N	1	0	461.606	4.289	1	0		JIAFRO
CC(C)[C@H]1C[NH+]=C2N(C[C@H](C)NC(=O)CCC3CCCCC3)[C@H](Cc3ccc(O)cc3)CN21	ZINC000013545619	562973143	/nfs/dbraw/zinc/97/31/43/562973143.db2.gz	OOZXTLWQSZUDRN-QUURXOELSA-N	1	0	454.659	4.180	3	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3ccc4c(c3)CCC4)C1)CC2	ZINC000013558961	562974614	/nfs/dbraw/zinc/97/46/14/562974614.db2.gz	NTSNRUBLUKAOBI-HSZRJFAPSA-N	1	0	464.606	4.124	1	0		JIAFRO
O=C(c1c2n(c3c1ncnc3N1CC[NH+](CCc3ccccc3)CC1)CCCC2)c1ccccc1	ZINC000013559642	562974978	/nfs/dbraw/zinc/97/49/78/562974978.db2.gz	ZPWRQSPJFYPJQB-UHFFFAOYSA-N	1	0	465.601	4.363	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])CC(C)(C)C)c2=O)c1F	ZINC000013580590	562975760	/nfs/dbraw/zinc/97/57/60/562975760.db2.gz	BLEIPVXIKXIBNC-MRXNPFEDSA-N	1	0	489.538	4.223	1	0		JIAFRO
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CC[NH2+]CC4)cc3)ncc12	ZINC000013641557	562980128	/nfs/dbraw/zinc/98/01/28/562980128.db2.gz	NTQUCCVMCHSPRQ-UHFFFAOYSA-N	1	0	483.414	4.131	1	0		JIAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCc1c(Cl)cccc1Cl)CCC(=O)[C@@H]3O5	ZINC000013643642	562980460	/nfs/dbraw/zinc/98/04/60/562980460.db2.gz	WOAFLDTXSHAUKV-QLBRKBSLSA-N	1	0	460.357	4.277	1	0		JIAFRO
O=C(CCCCCOc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1)N1CC[NH+](CC2CCCCC2)CC1	ZINC000013725901	562984755	/nfs/dbraw/zinc/98/47/55/562984755.db2.gz	PFBKLDAFMQIPKA-UHFFFAOYSA-N	1	0	479.625	4.068	1	0		JIAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21	ZINC000013863015	563003287	/nfs/dbraw/zinc/00/32/87/563003287.db2.gz	VMZJRPSZTYTUEY-GHTZIAJQSA-N	1	0	473.598	4.089	1	0		JIAFRO
CC(=[NH2+])N1CCC(Oc2ccc([C@@H](Cc3ccc4ccc(C(N)=[NH2+])cc4c3)C(=O)[O-])cc2)CC1	ZINC000013901766	563004364	/nfs/dbraw/zinc/00/43/64/563004364.db2.gz	FZLDAJVXFYWRCX-RUZDIDTESA-N	1	0	458.562	4.375	1	0		JIAFRO
CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21	ZINC000014951034	563007218	/nfs/dbraw/zinc/00/72/18/563007218.db2.gz	NPKXHOKPLZTAIT-NWSQWKLXSA-N	1	0	476.646	4.323	1	0		JIAFRO
Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(-c3ccccc3C[NH+](C)C)cc1)c2=O	ZINC000014951232	563007247	/nfs/dbraw/zinc/00/72/47/563007247.db2.gz	CKBRNWVVQAJBLK-UHFFFAOYSA-N	1	0	491.555	4.332	1	0		JIAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)c(OC)c1)S2	ZINC000015880070	563011723	/nfs/dbraw/zinc/01/17/23/563011723.db2.gz	ODQFTQVHXBQHCJ-XNQWGTPPSA-N	1	0	467.591	4.003	3	0		JIAFRO
O=C(c1ccccc1)N1CC[C@@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1	ZINC000022930541	563018260	/nfs/dbraw/zinc/01/82/60/563018260.db2.gz	RMEQQVAFUFTJKY-AREMUKBSSA-N	1	0	488.459	4.184	1	0		JIAFRO
O[C@H](COc1cccc2ncccc21)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000022934437	563018903	/nfs/dbraw/zinc/01/89/03/563018903.db2.gz	LISSSJUGZCLIKR-NRFANRHFSA-N	1	0	451.570	4.362	1	0		JIAFRO
CSc1nnc2c3ccccc3c(OCc3cccc(C[NH2+]CCc4ccccc4)n3)nn12	ZINC000026496476	563028750	/nfs/dbraw/zinc/02/87/50/563028750.db2.gz	KHJYNVTVGUJKET-UHFFFAOYSA-N	1	0	456.575	4.306	1	0		JIAFRO
C[N@@H+](CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1	ZINC000026495755	563028789	/nfs/dbraw/zinc/02/87/89/563028789.db2.gz	HGOZULLDWRICPZ-UHFFFAOYSA-N	1	0	456.631	4.430	1	0		JIAFRO
Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@@H]2[NH+]1CCN(CCN2CCN(C(C)C)C2=O)CC1	ZINC000026659068	563032574	/nfs/dbraw/zinc/03/25/74/563032574.db2.gz	RYLUFOUUBWPVCW-BDYUSTAISA-N	1	0	464.629	4.474	1	0		JIAFRO
COc1cc(O[C@H](C)C2CC[NH2+]CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1	ZINC000026832367	563036383	/nfs/dbraw/zinc/03/63/83/563036383.db2.gz	KQIHKLDDJJWHFE-LJQANCHMSA-N	1	0	493.604	4.224	1	0		JIAFRO
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(OCc2cccc(Cl)c2)cc1	ZINC000027200590	563041412	/nfs/dbraw/zinc/04/14/12/563041412.db2.gz	KENDJHYSMXFIPZ-MRXNPFEDSA-N	1	0	479.968	4.202	1	0		JIAFRO
O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(F)cc1	ZINC000027636792	563047795	/nfs/dbraw/zinc/04/77/95/563047795.db2.gz	FCALGFKFZFJXQS-UHFFFAOYSA-N	1	0	484.019	4.267	1	0		JIAFRO
CCCCNC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@H]1c1ccc(OC)cc1	ZINC000027736876	563050965	/nfs/dbraw/zinc/05/09/65/563050965.db2.gz	LCMWXUDAUUSJAA-PKTZIBPZSA-N	1	0	489.613	4.471	1	0		JIAFRO
NC1=[NH+]CCCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000028094448	563055776	/nfs/dbraw/zinc/05/57/76/563055776.db2.gz	USRGEBOLBAUWHB-UHFFFAOYSA-N	1	0	497.386	4.413	1	0		JIAFRO
COc1ccc(-c2ccc(CC(=O)NC3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1	ZINC000028458028	563064298	/nfs/dbraw/zinc/06/42/98/563064298.db2.gz	PPUDNFXJSZDKQT-UHFFFAOYSA-N	1	0	458.558	4.414	1	0		JIAFRO
COc1ccccc1-c1cc(C[NH2+]CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)on1	ZINC000028642299	563072846	/nfs/dbraw/zinc/07/28/46/563072846.db2.gz	WNEBOHSVFNPQCI-UHFFFAOYSA-N	1	0	460.500	4.281	1	0		JIAFRO
CCCCN1C(=O)[C@@H](CC(C)(C)O)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2	ZINC000028817809	563079875	/nfs/dbraw/zinc/07/98/75/563079875.db2.gz	IRXUDUAPLGUWQS-RUZDIDTESA-N	1	0	493.648	4.102	1	0		JIAFRO
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccccc54)CC3)C[N@H+](C)[C@@H]1C2	ZINC000028950330	563086943	/nfs/dbraw/zinc/08/69/43/563086943.db2.gz	FABFUAOVAJIURP-PRVBGKCFSA-N	1	0	469.629	4.232	1	0		JIAFRO
[NH3+][C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)n2Cc2ccc(F)cc2)C1)Cc1cc(F)ccc1F	ZINC000028956694	563088388	/nfs/dbraw/zinc/08/83/88/563088388.db2.gz	GQNLLQYFQGLDRV-GOSISDBHSA-N	1	0	496.455	4.212	1	0		JIAFRO
CC(=O)c1sc(NC(=O)N[C@@H]2CCOC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975156	563090096	/nfs/dbraw/zinc/09/00/96/563090096.db2.gz	COHCCHMMIZLJTB-TUNNFDKTSA-N	1	0	488.629	4.275	1	0		JIAFRO
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000029039383	563091058	/nfs/dbraw/zinc/09/10/58/563091058.db2.gz	YIOJCRRQROSNFU-XPNTWCBSSA-N	1	0	459.993	4.214	1	0		JIAFRO
O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCC[C@@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1	ZINC000029044667	563092280	/nfs/dbraw/zinc/09/22/80/563092280.db2.gz	STALPJWOKWGXGL-UNMCSNQZSA-N	1	0	453.970	4.119	1	0		JIAFRO
CC[NH2+]Cc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1	ZINC000029047375	563092639	/nfs/dbraw/zinc/09/26/39/563092639.db2.gz	VHILIUBJTSCULR-SANMLTNESA-N	1	0	464.516	4.300	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl	ZINC000029125731	563094898	/nfs/dbraw/zinc/09/48/98/563094898.db2.gz	IWCRFNAAIPNCPO-UHFFFAOYSA-N	1	0	477.841	4.299	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@@H+]2CCc3nc4ccc(C(F)(F)F)cn4c3CC2)n1C	ZINC000029127253	563095647	/nfs/dbraw/zinc/09/56/47/563095647.db2.gz	WKIHYCMRGGUMCH-UHFFFAOYSA-N	1	0	491.543	4.028	1	0		JIAFRO
Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4ccc(Cl)cc4c3)CC2)cc[nH+]1	ZINC000029131697	563097215	/nfs/dbraw/zinc/09/72/15/563097215.db2.gz	VWWDTUWTVIRDGA-UHFFFAOYSA-N	1	0	486.037	4.488	1	0		JIAFRO
[NH3+]CC(=O)N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1	ZINC000029393090	563102014	/nfs/dbraw/zinc/10/20/14/563102014.db2.gz	AHAWVKZRZJNCMC-RBUKOAKNSA-N	1	0	487.444	4.015	1	0		JIAFRO
CCOC(OCC)C(=O)NC1CC[NH+](C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1	ZINC000029480128	563105243	/nfs/dbraw/zinc/10/52/43/563105243.db2.gz	DOWHWGWRLJFPKD-CUNXSJBXSA-N	1	0	469.025	4.455	1	0		JIAFRO
C[NH2+]CC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1	ZINC000034014207	563111729	/nfs/dbraw/zinc/11/17/29/563111729.db2.gz	GXPIFAHKQNGNSM-UHFFFAOYSA-N	1	0	470.495	4.354	1	0		JIAFRO
CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CC[NH2+]CC1	ZINC000034039044	563111864	/nfs/dbraw/zinc/11/18/64/563111864.db2.gz	CCIZGCFBHMZVTA-FQEVSTJZSA-N	1	0	473.461	4.372	1	0		JIAFRO
O=C1CC[C@@]2([NH2+]CCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	ZINC000035050554	563118562	/nfs/dbraw/zinc/11/85/62/563118562.db2.gz	ZHVLHUNBLJWDPM-ZLPBPMGLSA-N	1	0	493.047	4.409	1	0		JIAFRO
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](C[N@H+]1CC[C@H](O)C1)O2	ZINC000038149712	563132212	/nfs/dbraw/zinc/13/22/12/563132212.db2.gz	LZNGOWRILRYSPJ-RBUKOAKNSA-N	1	0	495.004	4.007	1	0		JIAFRO
CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)Cc1nc2c(cccc2C(F)(F)F)[nH]1	ZINC000038310494	563133796	/nfs/dbraw/zinc/13/37/96/563133796.db2.gz	XKGNTVGYEDLOEC-SFTDATJTSA-N	1	0	476.543	4.177	1	0		JIAFRO
C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl	ZINC000040393355	563138371	/nfs/dbraw/zinc/13/83/71/563138371.db2.gz	BMYDCNYUPMEDPJ-HSZRJFAPSA-N	1	0	498.455	4.052	1	0		JIAFRO
C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl	ZINC000040393356	563138400	/nfs/dbraw/zinc/13/84/00/563138400.db2.gz	BMYDCNYUPMEDPJ-QHCPKHFHSA-N	1	0	498.455	4.052	1	0		JIAFRO
CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCC[NH+](CC)CC	ZINC000040394878	563138950	/nfs/dbraw/zinc/13/89/50/563138950.db2.gz	ZZOJPMIFUQERIH-UHFFFAOYSA-N	1	0	466.607	4.288	1	0		JIAFRO
C[NH+](C)CCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1	ZINC000040395572	563139268	/nfs/dbraw/zinc/13/92/68/563139268.db2.gz	LDESLYKWJNFLSX-UHFFFAOYSA-N	1	0	488.848	4.447	1	0		JIAFRO
CC(C)C[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000040431361	563143846	/nfs/dbraw/zinc/14/38/46/563143846.db2.gz	ZAAZVMJLSXMDHB-IBGZPJMESA-N	1	0	489.465	4.305	1	0		JIAFRO
CN(C[C@@H](NCC[NH+](C)C)c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000040565347	563145458	/nfs/dbraw/zinc/14/54/58/563145458.db2.gz	BBTUHMKATAIBGF-LJQANCHMSA-N	1	0	497.505	4.237	1	0		JIAFRO
COc1ccc([C@H](NCC[NH+](C)C)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000040566755	563145738	/nfs/dbraw/zinc/14/57/38/563145738.db2.gz	RIUAGIMADRTBPM-IBGZPJMESA-N	1	0	477.449	4.242	1	0		JIAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCOCC2)c2ccccc2)CC1	ZINC000040913547	563154914	/nfs/dbraw/zinc/15/49/14/563154914.db2.gz	XZMVBLCUSFQVNY-NLFFAJNJSA-N	1	0	467.658	4.410	1	0		JIAFRO
CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOC[C@H]2O)C1	ZINC000040954577	563160526	/nfs/dbraw/zinc/16/05/26/563160526.db2.gz	LMJUMWUXZFVMGC-HDAAZOAOSA-N	1	0	496.492	4.275	1	0		JIAFRO
COc1ccccc1NC(=S)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1	ZINC000043017720	563164745	/nfs/dbraw/zinc/16/47/45/563164745.db2.gz	OFVKLKLWTXDJOP-NRFANRHFSA-N	1	0	451.592	4.076	1	0		JIAFRO
CN1CCC([NH2+]Cc2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)s3)cc2)CC1	ZINC000045194445	563177152	/nfs/dbraw/zinc/17/71/52/563177152.db2.gz	OBGBHBYBOQINJE-UHFFFAOYSA-N	1	0	455.649	4.077	1	0		JIAFRO
COc1cc(F)c2ncc(Cl)c(CCN3CCC([NH2+]Cc4ccc5c(c4)NC(=O)CO5)CC3)c2c1	ZINC000045201559	563178248	/nfs/dbraw/zinc/17/82/48/563178248.db2.gz	ZIRIZHHZPPILCA-UHFFFAOYSA-N	1	0	498.986	4.164	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]Cc3ccsc3)cc2)s1	ZINC000045227369	563180050	/nfs/dbraw/zinc/18/00/50/563180050.db2.gz	CVOAPYXNEVRSRT-UHFFFAOYSA-N	1	0	461.678	4.141	1	0		JIAFRO
Cc1[nH]c(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c(Br)c1Br	ZINC000045231386	563181449	/nfs/dbraw/zinc/18/14/49/563181449.db2.gz	UWUMZPGISLMIBX-UHFFFAOYSA-N	1	0	468.193	4.281	1	0		JIAFRO
Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc4c(o3)CCCC4)[nH+]2)n1	ZINC000045245204	563181606	/nfs/dbraw/zinc/18/16/06/563181606.db2.gz	BPJLIMPTBHRRCY-UHFFFAOYSA-N	1	0	451.596	4.393	1	0		JIAFRO
CC(=O)Nc1ccc(C[NH+]2CCC(N(C)c3cc(NC(=O)c4cccs4)ccn3)CC2)cc1	ZINC000045322735	563188593	/nfs/dbraw/zinc/18/85/93/563188593.db2.gz	JOKKWFQTZWJGBZ-UHFFFAOYSA-N	1	0	463.607	4.455	1	0		JIAFRO
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCC2(CCC[NH2+]2)CC1	ZINC000045385497	563194426	/nfs/dbraw/zinc/19/44/26/563194426.db2.gz	HATHVQLHSBBXIA-UHFFFAOYSA-N	1	0	477.367	4.023	1	0		JIAFRO
O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COc2ccc3[nH]ccc3c2)CC1	ZINC000049036513	563198984	/nfs/dbraw/zinc/19/89/84/563198984.db2.gz	WCKHOZOGTGBXSD-JOCHJYFZSA-N	1	0	483.568	4.069	1	0		JIAFRO
C[NH+](C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(/C=C/c4ccccc4)cn23)c1	ZINC000061905296	563210294	/nfs/dbraw/zinc/21/02/94/563210294.db2.gz	IDHRSILOWGKPLX-VAWYXSNFSA-N	1	0	453.546	4.031	3	0		JIAFRO
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)[C@@H]1c1cccs1	ZINC000020508246	523811058	/nfs/dbraw/zinc/81/10/58/523811058.db2.gz	FZIAYLHXDRBAIJ-ZEQRLZLVSA-N	1	0	469.651	4.056	1	0		JIAFRO
COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)CCC(C)C)[N@H+]4C3)[C@H]2[C@@H]1C	ZINC000085532598	560072585	/nfs/dbraw/zinc/07/25/85/560072585.db2.gz	ZJWCXXAMOLGSOZ-WUUALRQTSA-N	1	0	455.595	4.432	1	0	biogenic,in-vitro	JIAFRO
C[C@H](CC[NH+]1CCC(C)CC1)N(C)S(=O)(=O)c1ccc(Br)c(Br)c1	ZINC000001487241	562920219	/nfs/dbraw/zinc/92/02/19/562920219.db2.gz	UJQYOAOHDMKAOJ-CQSZACIVSA-N	1	0	482.282	4.343	1	0		JIAFRO
Cc1cc(OCC2CCN(C(N)=[NH2+])CC2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1	ZINC000001893798	562923988	/nfs/dbraw/zinc/92/39/88/562923988.db2.gz	BULNUZLAWDZAIP-UHFFFAOYSA-N	1	0	472.394	4.054	1	0		JIAFRO
CC[C@@]1(C2CC[NH+](Cc3ccccc3Cl)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O	ZINC000012028446	562958664	/nfs/dbraw/zinc/95/86/64/562958664.db2.gz	MRVZDMKDSISAJS-IBVKSMDESA-N	1	0	483.996	4.093	1	0		JIAFRO
Fc1ccc(N2CC[NH+](Cc3ccc4c(c3)CN(Cc3cccn3-c3ncccn3)CCO4)CC2)cc1	ZINC000012031108	562958740	/nfs/dbraw/zinc/95/87/40/562958740.db2.gz	QCOQWJOKCNZEHS-UHFFFAOYSA-N	1	0	498.606	4.123	1	0		JIAFRO
COc1ccc(C(N)=[NH2+])cc1Oc1nc(Oc2cccc(C(=O)N(C)C)c2)c(F)c(C)c1F	ZINC000013474055	562966603	/nfs/dbraw/zinc/96/66/03/562966603.db2.gz	YFRQQLMNZPPWOI-UHFFFAOYSA-N	1	0	456.449	4.247	1	0		JIAFRO
COC(=O)Cc1ccc(-n2cc(C3CC[NH+](CCN4CCNC4=O)CC3)c3cc(Cl)ccc32)cc1	ZINC000013489958	562969075	/nfs/dbraw/zinc/96/90/75/562969075.db2.gz	IKIDYUZRZURTHB-UHFFFAOYSA-N	1	0	495.023	4.204	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1	ZINC000013526275	562971545	/nfs/dbraw/zinc/97/15/45/562971545.db2.gz	SJUYCGYJRSRZHG-JLHYYAGUSA-N	1	0	461.528	4.446	1	0		JIAFRO
CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OC(C)C	ZINC000013533233	562972400	/nfs/dbraw/zinc/97/24/00/562972400.db2.gz	IICFEJGVVLSJNF-VWLOTQADSA-N	1	0	494.661	4.478	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3ccc(Cl)cc3)C1)CC2	ZINC000013558934	562974626	/nfs/dbraw/zinc/97/46/26/562974626.db2.gz	YHBHVSCXVWRPKD-HXUWFJFHSA-N	1	0	458.986	4.289	1	0		JIAFRO
[NH3+]CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F	ZINC000013740062	562986637	/nfs/dbraw/zinc/98/66/37/562986637.db2.gz	WQOLAFVZLZRKGA-UHFFFAOYSA-N	1	0	463.407	4.112	1	0		JIAFRO
COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000013795489	562993028	/nfs/dbraw/zinc/99/30/28/562993028.db2.gz	SHIONCUNFVZZAI-FCHUYYIVSA-N	1	0	460.467	4.055	1	0		JIAFRO
COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000013795493	562993059	/nfs/dbraw/zinc/99/30/59/562993059.db2.gz	SHIONCUNFVZZAI-VXKWHMMOSA-N	1	0	460.467	4.055	1	0		JIAFRO
Cc1ccc(C[NH2+]CC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-c1cc[nH]n1	ZINC000013797321	562993444	/nfs/dbraw/zinc/99/34/44/562993444.db2.gz	JXXZENBEDPJPGF-UHFFFAOYSA-N	1	0	459.928	4.307	1	0		JIAFRO
Cc1cc([C@H]2SCC(=O)N2CCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c(C)c(C)c1O	ZINC000013799735	562993732	/nfs/dbraw/zinc/99/37/32/562993732.db2.gz	VBGBXTLGNDFJCA-RUZDIDTESA-N	1	0	472.607	4.021	1	0		JIAFRO
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C[NH+]1CCCC1	ZINC000013832126	562999523	/nfs/dbraw/zinc/99/95/23/562999523.db2.gz	MNUXCXWZLFAWDA-OAQYLSRUSA-N	1	0	490.431	4.481	1	0		JIAFRO
O[C@@H](COc1cccc2ncccc21)CN1CC[NH+]([C@@H](c2cccs2)c2ccccc2)CC1	ZINC000022934362	563018843	/nfs/dbraw/zinc/01/88/43/563018843.db2.gz	MKUYHJWPFUGRPG-AJTFRIOCSA-N	1	0	459.615	4.443	1	0		JIAFRO
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[NH2+][C@@H]2c1ccccc1	ZINC000026650972	563032091	/nfs/dbraw/zinc/03/20/91/563032091.db2.gz	MIDMGQDYUATQRC-BSLALVQMSA-N	1	0	459.472	4.057	1	0		JIAFRO
O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(c2noc3cc(Cl)ccc32)CC1	ZINC000027199911	563041339	/nfs/dbraw/zinc/04/13/39/563041339.db2.gz	NBNWDTBOFSRTHK-UHFFFAOYSA-N	1	0	458.990	4.093	1	0		JIAFRO
COc1cc(CCC(=O)N[C@H](C[N@@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1O	ZINC000027559746	563046747	/nfs/dbraw/zinc/04/67/47/563046747.db2.gz	WMAMQHJMRPSXOU-MUXSNRJPSA-N	1	0	468.638	4.480	1	0		JIAFRO
O=C(/C=C/c1cccnc1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000027654186	563048917	/nfs/dbraw/zinc/04/89/17/563048917.db2.gz	CZUXQCPEAVZNIQ-FOCLMDBBSA-N	1	0	454.618	4.398	1	0		JIAFRO
CNc1ncccc1/C=C/C(=O)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000027655636	563049030	/nfs/dbraw/zinc/04/90/30/563049030.db2.gz	VOGFWRCXDYODNJ-WUKNDPDISA-N	1	0	483.660	4.440	1	0		JIAFRO
CCOC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@H]1c1ccc(OC)cc1	ZINC000027744851	563051053	/nfs/dbraw/zinc/05/10/53/563051053.db2.gz	LCNLJVWYYVXGMI-SFTDATJTSA-N	1	0	462.543	4.118	1	0		JIAFRO
CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCN2c3ccccc3C(C)(C)C2=O)CC1	ZINC000027984405	563053708	/nfs/dbraw/zinc/05/37/08/563053708.db2.gz	ZYIAQEAGDHFMOS-UHFFFAOYSA-N	1	0	463.622	4.235	1	0		JIAFRO
[NH3+][C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@H](c1ccccc1F)CS2)c1ccccc1	ZINC000028121791	563056843	/nfs/dbraw/zinc/05/68/43/563056843.db2.gz	WVAOLSBXBIROBU-VXKWHMMOSA-N	1	0	477.536	4.350	1	0		JIAFRO
Nc1ccc(S(=O)(=O)n2cc(C3=CC[NH2+]CC3)c3cc(OCc4ccccc4)ccc32)cc1	ZINC000028331026	563059514	/nfs/dbraw/zinc/05/95/14/563059514.db2.gz	GINYLVVXYPBAJH-UHFFFAOYSA-N	1	0	459.571	4.416	1	0		JIAFRO
CC[NH+](CC)CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1	ZINC000028357871	563061517	/nfs/dbraw/zinc/06/15/17/563061517.db2.gz	YDJACBDTHCTAMI-YGKZAACZSA-N	1	0	496.098	4.154	1	0		JIAFRO
Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)s1	ZINC000028387654	563063415	/nfs/dbraw/zinc/06/34/15/563063415.db2.gz	ZQSYMZAURGWTGA-NRFANRHFSA-N	1	0	467.541	4.382	1	0		JIAFRO
NC(=O)c1cc(C(=O)N2CCC(c3cccc(C[NH3+])c3)CC2)cc(-c2nc(-c3cccs3)no2)c1	ZINC000028458343	563064264	/nfs/dbraw/zinc/06/42/64/563064264.db2.gz	LPBADDHUZIZZHC-UHFFFAOYSA-N	1	0	487.585	4.043	1	0		JIAFRO
CC(C)OCCCNc1ncc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000028526203	563067778	/nfs/dbraw/zinc/06/77/78/563067778.db2.gz	SCUVURVRWNDOGH-UHFFFAOYSA-N	1	0	489.016	4.085	1	0		JIAFRO
COc1ccc2nccc(-n3cc4c(n3)CC[C@@H]([NH2+]Cc3ccc5c(c3)NC(=O)CS5)C4)c2c1	ZINC000028703202	563074881	/nfs/dbraw/zinc/07/48/81/563074881.db2.gz	USSQNKOMDASVHX-GOSISDBHSA-N	1	0	471.586	4.120	1	0		JIAFRO
O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCOCC3)sc2c1	ZINC000028967646	563089447	/nfs/dbraw/zinc/08/94/47/563089447.db2.gz	DUBHSECPDVCWTB-UHFFFAOYSA-N	1	0	488.613	4.334	1	0		JIAFRO
O=C(N[C@@H]1CCc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21)c1cccnc1	ZINC000029038756	563091012	/nfs/dbraw/zinc/09/10/12/563091012.db2.gz	GFQPGTMHAHWZHS-RUZDIDTESA-N	1	0	483.641	4.473	1	0		JIAFRO
Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1	ZINC000029126072	563095104	/nfs/dbraw/zinc/09/51/04/563095104.db2.gz	GRVBENWAFTWPOR-FQEVSTJZSA-N	1	0	483.461	4.439	1	0		JIAFRO
CN(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2cc[nH+]cc2)CC1	ZINC000029132619	563097378	/nfs/dbraw/zinc/09/73/78/563097378.db2.gz	VLYDDRYGRILLIL-UHFFFAOYSA-N	1	0	472.010	4.037	1	0		JIAFRO
CC[C@H](C)[C@H]([NH3+])C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C	ZINC000029134328	563097791	/nfs/dbraw/zinc/09/77/91/563097791.db2.gz	DHYYTYNZRAVWFD-IEROGBPDSA-N	1	0	483.544	4.443	1	0		JIAFRO
COc1ccc2[nH]c(C(=O)N[C@H](C[N@@H+]3CC[C@@](C)(c4cccc(O)c4)[C@@H](C)C3)C(C)C)nc2c1	ZINC000029134187	563097807	/nfs/dbraw/zinc/09/78/07/563097807.db2.gz	MLBMFOAACHIRNI-WCTKDPGZSA-N	1	0	464.610	4.331	1	0		JIAFRO
Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1	ZINC000029135855	563098124	/nfs/dbraw/zinc/09/81/24/563098124.db2.gz	BAOSLOOKYHKWIN-VXKWHMMOSA-N	1	0	461.528	4.269	1	0		JIAFRO
COc1ccc(CCCCC[N@H+](C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC	ZINC000029318086	563100048	/nfs/dbraw/zinc/10/00/48/563100048.db2.gz	FSEZPRHEBRVFFV-UHFFFAOYSA-N	1	0	498.664	4.383	1	0		JIAFRO
Cc1cccc(C(=O)N2CCC([NH+]3CCC(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)c1N	ZINC000029477263	563104996	/nfs/dbraw/zinc/10/49/96/563104996.db2.gz	QJRMRMXDAVFYRH-UHFFFAOYSA-N	1	0	476.665	4.275	1	0		JIAFRO
C[C@H](C(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1	ZINC000034849863	563116902	/nfs/dbraw/zinc/11/69/02/563116902.db2.gz	DSMHXHKJIOOKIY-HBMCJLEFSA-N	1	0	452.618	4.215	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000035050552	563118594	/nfs/dbraw/zinc/11/85/94/563118594.db2.gz	OOKLDXGRMJGSQV-ZLPBPMGLSA-N	1	0	493.047	4.322	1	0		JIAFRO
C[NH+](C)[C@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21	ZINC000035834641	563120634	/nfs/dbraw/zinc/12/06/34/563120634.db2.gz	DBFTVRMJVISJEX-ZEQRLZLVSA-N	1	0	484.021	4.126	1	0	in-vitro	JIAFRO
O=C(NCC1(O)CCCCC1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000035952868	563121519	/nfs/dbraw/zinc/12/15/19/563121519.db2.gz	SKMQRGIRPXXWFQ-UHFFFAOYSA-N	1	0	478.559	4.455	1	0		JIAFRO
COc1cccc2c1CC[C@@H]1C[N@H+](CCCCn3c(=O)[nH]c4c5ccccc5sc4c3=O)C[C@H]21	ZINC000036216411	563124287	/nfs/dbraw/zinc/12/42/87/563124287.db2.gz	PJUNYVKXGHDWBR-UTKZUKDTSA-N	1	0	475.614	4.355	1	0		JIAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c2)cc1	ZINC000036349100	563126519	/nfs/dbraw/zinc/12/65/19/563126519.db2.gz	STYDNQYWYXYYBA-UHFFFAOYSA-N	1	0	487.454	4.054	1	0		JIAFRO
CCOc1ccccc1-n1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2ccccc2c1=O	ZINC000036381364	563127687	/nfs/dbraw/zinc/12/76/87/563127687.db2.gz	AOQNJFJGVODSPQ-UHFFFAOYSA-N	1	0	454.574	4.102	1	0		JIAFRO
Cc1ccc2c(cc(F)cc2N2CC[N@H+](CCCc3cccc4c3OCC(=O)N4C)[C@H](C)C2)n1	ZINC000040401142	563139485	/nfs/dbraw/zinc/13/94/85/563139485.db2.gz	QEDKPWFZXOCKMT-LJQANCHMSA-N	1	0	462.569	4.181	1	0		JIAFRO
CN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)[C@H](c1ccc(F)c(F)c1)N1CCCC1	ZINC000040401448	563139488	/nfs/dbraw/zinc/13/94/88/563139488.db2.gz	QWGGGPZPGZEDSN-SANMLTNESA-N	1	0	483.603	4.472	1	0		JIAFRO
FC(F)(F)c1nc2c(cccc2N2CC[NH+](CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)[nH]1	ZINC000040421258	563141520	/nfs/dbraw/zinc/14/15/20/563141520.db2.gz	FUSZMMABEJAWOS-UHFFFAOYSA-N	1	0	462.501	4.322	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(NS(C)(=O)=O)c3)CC2)n1	ZINC000040424180	563142745	/nfs/dbraw/zinc/14/27/45/563142745.db2.gz	UZLFJOXUSYBNKZ-UHFFFAOYSA-N	1	0	453.608	4.248	1	0		JIAFRO
CN1CCC[N@H+](Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CC1	ZINC000040431171	563143755	/nfs/dbraw/zinc/14/37/55/563143755.db2.gz	GZOPBJVPTXYWRB-UHFFFAOYSA-N	1	0	457.574	4.150	1	0		JIAFRO
CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(Cl)cc2Cl)CC1	ZINC000040859977	563149835	/nfs/dbraw/zinc/14/98/35/563149835.db2.gz	KXLCDKFSKSDYSO-FYYLOGMGSA-N	1	0	464.437	4.292	1	0		JIAFRO
CC[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2cccnc21	ZINC000040867269	563151325	/nfs/dbraw/zinc/15/13/25/563151325.db2.gz	GPZJOAUCCSYTNS-UHFFFAOYSA-N	1	0	484.025	4.149	1	0		JIAFRO
COCCCN(Cc1ccccc1-c1ccc(CN2CC[NH2+]CC2)cc1)C(=O)Cc1ccccc1	ZINC000040901045	563154743	/nfs/dbraw/zinc/15/47/43/563154743.db2.gz	WPGPHIGIXSOWEF-UHFFFAOYSA-N	1	0	471.645	4.367	1	0		JIAFRO
COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](O)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC	ZINC000040954367	563160445	/nfs/dbraw/zinc/16/04/45/563160445.db2.gz	AUZUCMHFUOGOFB-HXUWFJFHSA-N	1	0	498.027	4.470	1	0		JIAFRO
C[NH+](C)CCCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br	ZINC000042963716	563163783	/nfs/dbraw/zinc/16/37/83/563163783.db2.gz	DLTUZZBCTUXBNM-UHFFFAOYSA-N	1	0	474.193	4.108	1	0		JIAFRO
C[C@H](NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000045187605	563174400	/nfs/dbraw/zinc/17/44/00/563174400.db2.gz	FCSVIIYVFJTYBY-HNNXBMFYSA-N	1	0	464.393	4.086	1	0		JIAFRO
CCN(CC1CC[NH+](CC2(O)CCOCC2)CC1)c1cc(C)nc(Nc2ccc(Cl)cc2)n1	ZINC000045229085	563180712	/nfs/dbraw/zinc/18/07/12/563180712.db2.gz	WFZXCXYKJVLWCE-UHFFFAOYSA-N	1	0	474.049	4.262	1	0		JIAFRO
Cc1c2ccccc2sc1CN(C)C(=O)/C=C/c1cnc2c(c1)CC1(CC[NH2+]CC1)C(=O)N2	ZINC000045253312	563182036	/nfs/dbraw/zinc/18/20/36/563182036.db2.gz	BCUUMFKWBFDFPE-BQYQJAHWSA-N	1	0	460.603	4.141	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1	ZINC000045302748	563186691	/nfs/dbraw/zinc/18/66/91/563186691.db2.gz	YNTVWBVCGTWFQS-UHFFFAOYSA-N	1	0	468.536	4.289	1	0		JIAFRO
O=C(N[C@@H](CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C1)c1ccccc1)C1CCCC1	ZINC000058487738	563206574	/nfs/dbraw/zinc/20/65/74/563206574.db2.gz	YBZRNSZSUCQMRL-GSLIJJQTSA-N	1	0	463.597	4.267	1	0		JIAFRO
CN(CC(=O)N1CCN(c2ccccc2)C[C@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1	ZINC000058553375	563207277	/nfs/dbraw/zinc/20/72/77/563207277.db2.gz	YCQVUICBLXERSU-OAQYLSRUSA-N	1	0	461.437	4.243	1	0		JIAFRO
Cc1nc2nc(C(=O)N(C)Cc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000058563598	563207310	/nfs/dbraw/zinc/20/73/10/563207310.db2.gz	HDHQMFMRHMYKAS-UHFFFAOYSA-N	1	0	455.349	4.137	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(N3CCC(CC[NH+](C)C)CC3)cn2cc1-c1cccc(Cl)c1	ZINC000058583133	563207886	/nfs/dbraw/zinc/20/78/86/563207886.db2.gz	JBVKIZVWNUYJTQ-UHFFFAOYSA-N	1	0	498.071	4.114	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(OC3CC[NH+](C(C)C)CC3)cn2cc1-c1cccc(Cl)c1	ZINC000058591535	563208192	/nfs/dbraw/zinc/20/81/92/563208192.db2.gz	XGNIGFXFSQOEEN-UHFFFAOYSA-N	1	0	485.028	4.198	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3cccc([18F])n3)cc2)CC1	ZINC000100066145	581096232	/nfs/dbraw/zinc/09/62/32/581096232.db2.gz	VUBGTPVVYQBGQN-GLOFJIOZSA-N	1	0	461.572	4.229	1	0		JIAFRO
O=S1(=O)N(CC[NH+]2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2cccc3c2N1CCC3	ZINC000000597802	562918292	/nfs/dbraw/zinc/91/82/92/562918292.db2.gz	NZUSTSFFNOEAHE-UHFFFAOYSA-N	1	0	468.598	4.079	1	0	in-vivo	JIAFRO
CCOC(=O)[C@H]1C[C@]23CN(C(=O)OC(C)(C)C)CC[C@H]2CCC2(SCCCS2)[C@@H]3[N@@H+]1C	ZINC000006040861	562936647	/nfs/dbraw/zinc/93/66/47/562936647.db2.gz	WAIYGFUVIDRYLJ-VRVBVOGLSA-N	1	0	470.701	4.226	1	0		JIAFRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000006193167	562937045	/nfs/dbraw/zinc/93/70/45/562937045.db2.gz	ULYPVZVFASPYTO-UHFFFAOYSA-N	1	0	458.672	4.278	1	0		JIAFRO
COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3ccc(OC)c(OC)c3)n2)cc1	ZINC000006878640	562938374	/nfs/dbraw/zinc/93/83/74/562938374.db2.gz	DJBAOSMARCBYPN-UHFFFAOYSA-N	1	0	455.580	4.434	3	0		JIAFRO
COCCN(CCOC)c1nc(C)nc2c1nc(-c1ccccc1)n2CCC[N@@H+]1CCCC[C@H]1C	ZINC000008017466	562938484	/nfs/dbraw/zinc/93/84/84/562938484.db2.gz	ABMJYLFGDCMIQT-OAQYLSRUSA-N	1	0	480.657	4.165	1	0		JIAFRO
O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc2nc(N3CCCCC3)sc2c1	ZINC000008912703	562955327	/nfs/dbraw/zinc/95/53/27/562955327.db2.gz	UFDUXQBKNSCWDI-UHFFFAOYSA-N	1	0	469.699	4.357	1	0		JIAFRO
COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc2ccccc2c1	ZINC000012246609	562959418	/nfs/dbraw/zinc/95/94/18/562959418.db2.gz	HOILFWQFKDSRQV-QPPBQGQZSA-N	1	0	460.603	4.214	1	0		JIAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@@H]3CCC[NH2+]3)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000013450621	562964671	/nfs/dbraw/zinc/96/46/71/562964671.db2.gz	LMMFNPFUDYQJEK-WCAVRKLYSA-N	1	0	476.495	4.071	1	0		JIAFRO
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F	ZINC000013489413	562968658	/nfs/dbraw/zinc/96/86/58/562968658.db2.gz	DMOHNDKXEKUKGV-JTQLQIEISA-N	1	0	475.393	4.007	1	0		JIAFRO
COc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(CC[NH+]5CCCC5)c4c3)CC2)cc1	ZINC000013589449	562977983	/nfs/dbraw/zinc/97/79/83/562977983.db2.gz	DOHYKDWALRWYOK-UHFFFAOYSA-N	1	0	465.619	4.293	1	0		JIAFRO
[NH3+]CCc1c[nH]c2ccc(C[C@@H]3NC(=O)N(Cc4cccc(Oc5ccccc5)c4)C3=O)cc12	ZINC000013603478	562978566	/nfs/dbraw/zinc/97/85/66/562978566.db2.gz	BSSVANLAVLMBEG-VWLOTQADSA-N	1	0	454.530	4.125	1	0		JIAFRO
COc1cccc2c1C[C@@]1(CCCC[N@@H+]1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2	ZINC000013759918	562989371	/nfs/dbraw/zinc/98/93/71/562989371.db2.gz	OEQUHNCHYOZDKW-MHZLTWQESA-N	1	0	454.611	4.344	1	0		JIAFRO
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)C2	ZINC000013761433	562989890	/nfs/dbraw/zinc/98/98/90/562989890.db2.gz	MQUVXEKZVIEFPU-IBGZPJMESA-N	1	0	482.568	4.455	1	0		JIAFRO
COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3C)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000013799262	562993642	/nfs/dbraw/zinc/99/36/42/562993642.db2.gz	QDOLXXYRZRGMGK-HHHXNRCGSA-N	1	0	470.529	4.011	1	0		JIAFRO
COC[C@H](NC1CC[NH+](CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1	ZINC000013802576	562994477	/nfs/dbraw/zinc/99/44/77/562994477.db2.gz	YSUFYQOHSFXSTE-NDEPHWFRSA-N	1	0	490.627	4.321	1	0		JIAFRO
COc1ccc(NC(=O)N2CC[C@H](c3c[nH]c4ccc(F)cc43)C2)cc1N1CC[NH+](C)CC1	ZINC000013806220	562995180	/nfs/dbraw/zinc/99/51/80/562995180.db2.gz	BMVCAMBJKNURKZ-KRWDZBQOSA-N	1	0	451.546	4.089	1	0		JIAFRO
[NH3+][C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2[C@@H]1c1ccc(F)cc1)Cc1ccc(F)c(F)c1	ZINC000014958999	563008173	/nfs/dbraw/zinc/00/81/73/563008173.db2.gz	WETXVMAIYXHWTN-IERDGZPVSA-N	1	0	482.428	4.211	1	0		JIAFRO
Cc1ccc(Nc2ncc(C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc32)cc1Cl	ZINC000020104774	563015616	/nfs/dbraw/zinc/01/56/16/563015616.db2.gz	SEALYCBSEQDAOV-UHFFFAOYSA-N	1	0	452.002	4.308	3	0		JIAFRO
O[C@@H](CNc1ccccc1)CN1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000022926426	563017687	/nfs/dbraw/zinc/01/76/87/563017687.db2.gz	WRCWEDYPROLWQX-SANMLTNESA-N	1	0	451.561	4.187	1	0		JIAFRO
O=C(Cc1ccccc1)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000027633162	563047708	/nfs/dbraw/zinc/04/77/08/563047708.db2.gz	WYWJWEJMJJWPMS-UHFFFAOYSA-N	1	0	480.056	4.057	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)C1	ZINC000028131846	563057309	/nfs/dbraw/zinc/05/73/09/563057309.db2.gz	GMHSPIYMTPCTQP-DHIUTWEWSA-N	1	0	488.554	4.275	1	0		JIAFRO
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21	ZINC000028347904	563060923	/nfs/dbraw/zinc/06/09/23/563060923.db2.gz	XIAQRAMGKZHVGC-KAGYGMCKSA-N	1	0	463.603	4.360	1	0		JIAFRO
CC(C)=CCNc1cccc([C@@H](O)C[NH2+][C@H](C)Cc2c[nH]c3c2cccc3OS(C)(=O)=O)c1	ZINC000028365940	563062030	/nfs/dbraw/zinc/06/20/30/563062030.db2.gz	TZVFBJSCZAMNOI-JPYJTQIMSA-N	1	0	471.623	4.139	1	0		JIAFRO
Cc1c(-c2cccs2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F	ZINC000028387645	563063401	/nfs/dbraw/zinc/06/34/01/563063401.db2.gz	RSRYQTUNBBUCHN-FQEVSTJZSA-N	1	0	453.514	4.073	1	0		JIAFRO
O=S1(=O)NCc2ccccc2N1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1	ZINC000028391376	563063586	/nfs/dbraw/zinc/06/35/86/563063586.db2.gz	WTBKPINHUNGSOG-UHFFFAOYSA-N	1	0	463.603	4.085	1	0		JIAFRO
O=C1[C@@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000028398279	563063964	/nfs/dbraw/zinc/06/39/64/563063964.db2.gz	NKYJLIWHMCZXIF-KAYWLYCHSA-N	1	0	493.673	4.180	1	0		JIAFRO
COc1ccc(NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1N1CC[NH+](C)CC1	ZINC000028524642	563067235	/nfs/dbraw/zinc/06/72/35/563067235.db2.gz	WJYDVXOBGXFRGI-UHFFFAOYSA-N	1	0	485.632	4.468	1	0		JIAFRO
Cc1cc(C2=[NH+]CC(C)(C)N2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21	ZINC000028703707	563075090	/nfs/dbraw/zinc/07/50/90/563075090.db2.gz	IQSICYGTAPFFKF-HXUWFJFHSA-N	1	0	490.995	4.154	1	0		JIAFRO
[NH3+][C@H]1CN(c2cc(-c3cccc(OC(F)(F)F)c3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F	ZINC000028823843	563081691	/nfs/dbraw/zinc/08/16/91/563081691.db2.gz	HVMHDJDTXQIXFN-KDOFPFPSSA-N	1	0	454.374	4.391	1	0		JIAFRO
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)[NH2+]CC(C)C)s1	ZINC000028827385	563083101	/nfs/dbraw/zinc/08/31/01/563083101.db2.gz	UQQWKEALQOHHIX-KSSFIOAISA-N	1	0	452.571	4.194	1	0		JIAFRO
CC(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000028869435	563083970	/nfs/dbraw/zinc/08/39/70/563083970.db2.gz	XNOVFNOSXDKSSL-JOCHJYFZSA-N	1	0	452.451	4.348	1	0		JIAFRO
OCC1([NH+]2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccccc6F)n5)cc43)CC2)CCCC1	ZINC000028880919	563084724	/nfs/dbraw/zinc/08/47/24/563084724.db2.gz	WGLVWBKDRXWYBN-VWLOTQADSA-N	1	0	492.595	4.365	1	0		JIAFRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1cccc(Cl)c1)C2=O	ZINC000028884413	563084911	/nfs/dbraw/zinc/08/49/11/563084911.db2.gz	JNUDETUORAXZRT-KRWDZBQOSA-N	1	0	453.970	4.131	1	0		JIAFRO
CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1	ZINC000028895362	563085608	/nfs/dbraw/zinc/08/56/08/563085608.db2.gz	UERQBVCBQVYGOF-SANMLTNESA-N	1	0	491.657	4.116	1	0		JIAFRO
[NH3+]C1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1	ZINC000028903166	563086403	/nfs/dbraw/zinc/08/64/03/563086403.db2.gz	VTBGXVHIEWGJBV-UHFFFAOYSA-N	1	0	463.973	4.023	1	0		JIAFRO
Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+](C)CCCc2ccc(F)cc2)c1	ZINC000029039113	563091111	/nfs/dbraw/zinc/09/11/11/563091111.db2.gz	ADGPNLCKGSWYFU-XUZZJYLKSA-N	1	0	479.604	4.261	1	0		JIAFRO
CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(N4CC[NH+](C)CC4)cc2)C(=O)NC3=O)c1	ZINC000029050520	563092985	/nfs/dbraw/zinc/09/29/85/563092985.db2.gz	JMLAPNWNKUCNEK-IMRQLAEWSA-N	1	0	495.583	4.108	1	0		JIAFRO
O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1	ZINC000029126069	563095074	/nfs/dbraw/zinc/09/50/74/563095074.db2.gz	QYOPIBUYBHEQLK-LJQANCHMSA-N	1	0	469.434	4.130	1	0		JIAFRO
O=C1CNC(=O)N1CCCCCC[N@@H+]1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1	ZINC000029548323	563106069	/nfs/dbraw/zinc/10/60/69/563106069.db2.gz	VGQADOOVESUGBM-QPPBQGQZSA-N	1	0	468.548	4.387	1	0		JIAFRO
[NH3+]CCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000034582030	563113843	/nfs/dbraw/zinc/11/38/43/563113843.db2.gz	BABFYCSPNDKXRI-UHFFFAOYSA-N	1	0	489.085	4.233	1	0		JIAFRO
Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)nc2C	ZINC000035080202	563119048	/nfs/dbraw/zinc/11/90/48/563119048.db2.gz	ARXCMZSYXHWRRO-UHFFFAOYSA-N	1	0	477.012	4.065	1	0		JIAFRO
O=C(C=Cc1cc(F)cc(F)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1	ZINC000035873449	563121055	/nfs/dbraw/zinc/12/10/55/563121055.db2.gz	JWWBRTLPEUWQCU-JNMYPXEXSA-N	1	0	494.586	4.333	1	0		JIAFRO
COc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1	ZINC000036285617	563125240	/nfs/dbraw/zinc/12/52/40/563125240.db2.gz	QAXOXNKZMXDIKU-QFIPXVFZSA-N	1	0	479.543	4.488	1	0		JIAFRO
COC(=O)C1=C(C)N(Cc2ccccc2)C(=[NH+]CCCCO)N[C@H]1c1cccc(C(F)(F)F)c1	ZINC000036379160	563127445	/nfs/dbraw/zinc/12/74/45/563127445.db2.gz	MCMSJYVEJOCLNV-QFIPXVFZSA-N	1	0	475.511	4.427	3	0		JIAFRO
CCN1C(C)=C(C(=O)OC)[C@H](c2ccccc2)[NH+]=C1NCCc1ccc(Br)cc1	ZINC000036381596	563127792	/nfs/dbraw/zinc/12/77/92/563127792.db2.gz	LBJVCEROIVNXJO-NRFANRHFSA-N	1	0	456.384	4.461	1	0		JIAFRO
COc1ccc(CCC[NH+](C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1	ZINC000040393467	563138428	/nfs/dbraw/zinc/13/84/28/563138428.db2.gz	IHYLDWZRFWDOLG-UHFFFAOYSA-N	1	0	477.544	4.186	1	0		JIAFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc4c(c3)OCO4)cc1)CC2	ZINC000040406055	563140115	/nfs/dbraw/zinc/14/01/15/563140115.db2.gz	QNSFKMNBRGMLDG-UHFFFAOYSA-N	1	0	460.530	4.286	1	0		JIAFRO
C[C@H]([NH3+])C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccccc3Cl)o2)c1	ZINC000040891758	563153186	/nfs/dbraw/zinc/15/31/86/563153186.db2.gz	YJJLUDGRBLUWTF-LBPRGKRZSA-N	1	0	490.873	4.225	1	0		JIAFRO
FC(F)(F)c1nc2c(cccc2N2CC[NH+](CCOc3cccc4[nH]c(=S)[nH]c43)CC2)[nH]1	ZINC000040894322	563153637	/nfs/dbraw/zinc/15/36/37/563153637.db2.gz	ZPFVOMYXTKCCLP-UHFFFAOYSA-N	1	0	462.501	4.322	1	0		JIAFRO
Cc1nnc2n1-c1ccc(NC(=O)C3CC[NH+](Cc4ccccc4Br)CC3)cc1CC2	ZINC000040916589	563155711	/nfs/dbraw/zinc/15/57/11/563155711.db2.gz	BATLKDWZHXSGQG-UHFFFAOYSA-N	1	0	480.410	4.288	1	0		JIAFRO
C[NH+](C)CCCOc1ccc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000040933177	563156762	/nfs/dbraw/zinc/15/67/62/563156762.db2.gz	RNNPMJNEXTUZEL-UHFFFAOYSA-N	1	0	450.410	4.282	1	0		JIAFRO
COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1cccc(C(=O)N(C)CC[NH+](C)C)c1)c1ccccc1	ZINC000040943088	563159060	/nfs/dbraw/zinc/15/90/60/563159060.db2.gz	NCJAXEGFYQIOET-QPLCGJKRSA-N	1	0	498.583	4.039	1	0		JIAFRO
CC[NH2+]C1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1	ZINC000040955022	563160630	/nfs/dbraw/zinc/16/06/30/563160630.db2.gz	UAJXPPBANFJHRP-UHFFFAOYSA-N	1	0	480.012	4.297	1	0		JIAFRO
Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(CCN6CCOCC6)CC5)cc4)cc3)nc2c1	ZINC000045192933	563176521	/nfs/dbraw/zinc/17/65/21/563176521.db2.gz	SZAYWSMOWSNIFI-UHFFFAOYSA-N	1	0	499.634	4.486	1	0		JIAFRO
Cc1c(Oc2ccc(-n3ccnc3)cc2)ncnc1N1CCC2(CC1)C[NH2+]Cc1ccccc12	ZINC000045201386	563178158	/nfs/dbraw/zinc/17/81/58/563178158.db2.gz	AEVFMJUBNUHZMR-UHFFFAOYSA-N	1	0	452.562	4.404	1	0		JIAFRO
CN(C[C@H]1CC[C@H]2[C@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@H]2O1)S(=O)(=O)CCC[NH3+]	ZINC000049034747	563198577	/nfs/dbraw/zinc/19/85/77/563198577.db2.gz	FDIMNNBPZDIRFC-FUKQBSRTSA-N	1	0	497.583	4.319	1	0		JIAFRO
C[C@H](Nc1nccc(N(CC2CC[NH2+]CC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1	ZINC000049067437	563200841	/nfs/dbraw/zinc/20/08/41/563200841.db2.gz	ICELLRDYZNHWKV-IBGZPJMESA-N	1	0	457.578	4.231	1	0		JIAFRO
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1	ZINC000049071095	563201327	/nfs/dbraw/zinc/20/13/27/563201327.db2.gz	DSOVYVWRWSGRSN-DEOSSOPVSA-N	1	0	458.587	4.252	1	0		JIAFRO
CC(C)CN(C)C(=O)c1ccc2c(c1)[nH]c(-c1n[nH]cc1-c1ccccc1)c2C[NH2+]CCCO	ZINC000049807527	563204221	/nfs/dbraw/zinc/20/42/21/563204221.db2.gz	FEUNBCTYWCYVRM-UHFFFAOYSA-N	1	0	459.594	4.425	1	0		JIAFRO
C[N@@H+]1CCC[C@H]1CCNC(=O)OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000058509173	563206766	/nfs/dbraw/zinc/20/67/66/563206766.db2.gz	LCGHSPJRPTUKNI-LEWJYISDSA-N	1	0	492.041	4.061	1	0		JIAFRO
CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(CCC(C)C)CC[NH+](C)C	ZINC000061908843	563210833	/nfs/dbraw/zinc/21/08/33/563210833.db2.gz	GKDRTHCKVQWKKE-UHFFFAOYSA-N	1	0	465.642	4.249	3	0		JIAFRO
COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C	ZINC000085532418	560072807	/nfs/dbraw/zinc/07/28/07/560072807.db2.gz	UJCQCGGFEFJKIU-LYQFYFNGSA-N	1	0	455.595	4.432	1	0	biogenic,in-vitro	JIAFRO
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCC(=O)Nc3ccc4ccccc4c3)cc3c2cccc3O)c1	ZINC000003833791	562929550	/nfs/dbraw/zinc/92/95/50/562929550.db2.gz	DPHRHEQYRXRXJO-UHFFFAOYSA-N	1	0	491.551	4.201	1	0		JIAFRO
O=C([C@@H]1CC12CC[NH+](Cc1cccc3cccnc31)CC2)N1CCN(Cc2cccs2)CC1	ZINC000011815205	562957786	/nfs/dbraw/zinc/95/77/86/562957786.db2.gz	NMHKBXXOYRKBOP-DEOSSOPVSA-N	1	0	460.647	4.243	1	0		JIAFRO
Cn1ccc(-c2ccc3c(c2)c(C2CC[NH+](CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1	ZINC000013493003	562970035	/nfs/dbraw/zinc/97/00/35/562970035.db2.gz	DVICNJMXCZEIQX-UHFFFAOYSA-N	1	0	486.595	4.375	1	0		JIAFRO
C[NH+](C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21	ZINC000013611500	562979461	/nfs/dbraw/zinc/97/94/61/562979461.db2.gz	JXDMRMYIFDKNHE-UHFFFAOYSA-N	1	0	489.579	4.499	1	0		JIAFRO
CCNC(=O)Nc1nc2nc(NCCCC[NH+](CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1	ZINC000013647898	562980791	/nfs/dbraw/zinc/98/07/91/562980791.db2.gz	CHYRHTDWXRVJMJ-UHFFFAOYSA-N	1	0	495.628	4.384	1	0		JIAFRO
COc1ccccc1COc1ccccc1OCC[NH2+]CCOc1c(OC)cccc1OC	ZINC000013676656	562983419	/nfs/dbraw/zinc/98/34/19/562983419.db2.gz	KBOJVHFVCIFMSG-UHFFFAOYSA-N	1	0	453.535	4.339	1	0		JIAFRO
C[N@@H+]1CCC[C@H](CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)C1	ZINC000013778975	562991202	/nfs/dbraw/zinc/99/12/02/562991202.db2.gz	DTACAHMZFMCUJP-NIYFSFCBSA-N	1	0	451.014	4.184	1	0		JIAFRO
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]CCc2cccc(-n3cccn3)n2)CC1	ZINC000013782300	562992556	/nfs/dbraw/zinc/99/25/56/562992556.db2.gz	WOSPDFUKZHEFPV-UHFFFAOYSA-N	1	0	458.393	4.259	1	0		JIAFRO
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCC[NH+](C)C)c(Br)c3)c2c1	ZINC000013806943	562995222	/nfs/dbraw/zinc/99/52/22/562995222.db2.gz	JPJSAJWYSOMBPM-UHFFFAOYSA-N	1	0	456.344	4.201	1	0		JIAFRO
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(C(=O)NCC[NH+](C)C)c3)nc12	ZINC000013985129	563005382	/nfs/dbraw/zinc/00/53/82/563005382.db2.gz	QOVBTXBRBQUBBP-UHFFFAOYSA-N	1	0	476.968	4.394	1	0		JIAFRO
O=C(NC1CC[NH+](CCO)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1	ZINC000014959654	563008291	/nfs/dbraw/zinc/00/82/91/563008291.db2.gz	VDDFTMCWBWLRRC-UHFFFAOYSA-N	1	0	485.009	4.246	1	0		JIAFRO
CN1c2ccccc2[C@@H]2SC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)=C[C@H]2C1=O	ZINC000020105139	563015602	/nfs/dbraw/zinc/01/56/02/563015602.db2.gz	ZMZCTIPQOIUGBY-RDGATRHJSA-N	1	0	461.631	4.022	1	0		JIAFRO
Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccc(Cc4ccc(F)cc4)cc3)CC2)c(C)c(C)c1N	ZINC000022012520	563016738	/nfs/dbraw/zinc/01/67/38/563016738.db2.gz	BNGQNTZNOYCZSU-MHZLTWQESA-N	1	0	477.624	4.486	1	0		JIAFRO
O[C@H](COc1cccc2ncccc21)CN1CC[NH+]([C@H](c2cccs2)c2ccccc2)CC1	ZINC000022934358	563018812	/nfs/dbraw/zinc/01/88/12/563018812.db2.gz	MKUYHJWPFUGRPG-CUNXSJBXSA-N	1	0	459.615	4.443	1	0		JIAFRO
CCN(C(=O)OC)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1	ZINC000026504173	563029408	/nfs/dbraw/zinc/02/94/08/563029408.db2.gz	AWHDRJBXLAKQNX-HSZRJFAPSA-N	1	0	487.666	4.034	1	0		JIAFRO
CN(C(=O)[C@H](Cc1ccc(C[NH3+])cc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1	ZINC000026570412	563029919	/nfs/dbraw/zinc/02/99/19/563029919.db2.gz	RBQRCCOQDWFSPE-MHZLTWQESA-N	1	0	491.657	4.103	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](c4ccc(Br)cc4)C[C@H]4[C@@H](C2)[N@@H+](C2CC2)CC[C@]314	ZINC000026832437	563036376	/nfs/dbraw/zinc/03/63/76/563036376.db2.gz	FXHHREDNDXXDGL-SSFYISIOSA-N	1	0	468.391	4.111	1	0		JIAFRO
O=C1CCc2c1c(OC[C@H](O)C[NH+]1CCC3(CC1)OCc1c3ccc3ccccc13)ccc2F	ZINC000026961319	563038120	/nfs/dbraw/zinc/03/81/20/563038120.db2.gz	ZAPJYPXIPRXXNB-LJQANCHMSA-N	1	0	461.533	4.369	1	0		JIAFRO
CC[NH2+][C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OC)C[C@@H]1N(CC1CC1)CC[C@@]532	ZINC000028012144	563054843	/nfs/dbraw/zinc/05/48/43/563054843.db2.gz	RPOLGBPKNUMVDY-JXHHNEAKSA-N	1	0	455.602	4.493	1	0		JIAFRO
COc1cccc2scc(CC[N@H+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c21	ZINC000028090214	563055599	/nfs/dbraw/zinc/05/55/99/563055599.db2.gz	ZZFBGIHJNSFAOP-UHFFFAOYSA-N	1	0	482.646	4.419	1	0		JIAFRO
CNC1=[NH+]CCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000028094771	563055856	/nfs/dbraw/zinc/05/58/56/563055856.db2.gz	QNQZREPZGYVFSK-UHFFFAOYSA-N	1	0	497.386	4.284	1	0		JIAFRO
CCc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc(-c2nnnn2C)c1	ZINC000028128795	563057134	/nfs/dbraw/zinc/05/71/34/563057134.db2.gz	PPCVIXMOSZTHMR-FQEVSTJZSA-N	1	0	482.032	4.169	1	0		JIAFRO
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1nnc(-c3ccc(C)cc3)o1)C2	ZINC000028263840	563059419	/nfs/dbraw/zinc/05/94/19/563059419.db2.gz	MUXFUMQKVFXCSM-UYAMQBTESA-N	1	0	497.595	4.442	1	0		JIAFRO
CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c(OC)c(Br)cc(Br)c1OC	ZINC000028264957	563059530	/nfs/dbraw/zinc/05/95/30/563059530.db2.gz	NKAYTYNNLMHZBG-LBPRGKRZSA-N	1	0	478.225	4.175	1	0		JIAFRO
CC(C)[C@@H](CNc1nccc(OCc2ccc(Cl)cc2Cl)n1)NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000028567886	563069928	/nfs/dbraw/zinc/06/99/28/563069928.db2.gz	NWOFAIGNVNRPDV-OXQOHEQNSA-N	1	0	480.440	4.257	1	0		JIAFRO
CC[NH+](CC)CCN1c2ccccc2N=C2C(=CC=CN2CCc2ccc(OC)cc2)S1(=O)=O	ZINC000028639010	563072011	/nfs/dbraw/zinc/07/20/11/563072011.db2.gz	SSJGXXALQAUKJP-UHFFFAOYSA-N	1	0	480.634	4.173	1	0		JIAFRO
Cc1cnc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccn4C)n2C)CC3)o1	ZINC000028712462	563076960	/nfs/dbraw/zinc/07/69/60/563076960.db2.gz	FEBUQPUIWDHVMW-UHFFFAOYSA-N	1	0	462.623	4.367	1	0		JIAFRO
CC(C)[NH+]1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3=O)cc2)CC1	ZINC000028870334	563084147	/nfs/dbraw/zinc/08/41/47/563084147.db2.gz	WIBPRLVSOCWAGO-UHFFFAOYSA-N	1	0	455.986	4.081	1	0		JIAFRO
COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2ccccc2)NC(=O)C(C)(C)[NH3+])cc1	ZINC000028978013	563090270	/nfs/dbraw/zinc/09/02/70/563090270.db2.gz	YIHNIXKILNDSHD-RUZDIDTESA-N	1	0	483.616	4.063	1	0		JIAFRO
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000029039385	563091180	/nfs/dbraw/zinc/09/11/80/563091180.db2.gz	YIOJCRRQROSNFU-GIWBLDEGSA-N	1	0	459.993	4.214	1	0		JIAFRO
CC(=O)N1CC[C@H](c2ccc(C)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])C(C)C)CC1	ZINC000029041118	563091584	/nfs/dbraw/zinc/09/15/84/563091584.db2.gz	AZMYEWGWHFIVOA-FQLPYIGMSA-N	1	0	476.665	4.012	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@H+]2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C	ZINC000029126900	563095369	/nfs/dbraw/zinc/09/53/69/563095369.db2.gz	FQKBVZIGJYRJIJ-UHFFFAOYSA-N	1	0	478.622	4.455	1	0		JIAFRO
COc1ccc2c(c1)CCN(CC(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2	ZINC000029134053	563097723	/nfs/dbraw/zinc/09/77/23/563097723.db2.gz	QBJCNCXXQREOOC-JWCTUAFDSA-N	1	0	493.692	4.199	1	0		JIAFRO
CC(C)[C@]1(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)CC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000034662602	563114504	/nfs/dbraw/zinc/11/45/04/563114504.db2.gz	VLVHUCXXQLQUHE-YKSBVNFPSA-N	1	0	467.576	4.318	1	0		JIAFRO
C[NH2+][C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1	ZINC000035880237	563120998	/nfs/dbraw/zinc/12/09/98/563120998.db2.gz	IGXAHOUGRSJGEA-FQEVSTJZSA-N	1	0	465.479	4.265	1	0		JIAFRO
COc1cccc2c1CC[C@@H]1C[N@H+](CCCCn3c(=O)[nH]c4c5ccccc5sc4c3=O)C[C@@H]21	ZINC000036216413	563124395	/nfs/dbraw/zinc/12/43/95/563124395.db2.gz	PJUNYVKXGHDWBR-DYESRHJHSA-N	1	0	475.614	4.355	1	0		JIAFRO
C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc6c(c5)OCO6)ccc4c3=O)cn2)C1	ZINC000036351547	563126978	/nfs/dbraw/zinc/12/69/78/563126978.db2.gz	ZEWPNRKJURASKK-HXUWFJFHSA-N	1	0	455.514	4.391	1	0		JIAFRO
CCN1C(NCCCOC(C)C)=[NH+][C@@H](CCc2ccccc2)[C@H](C(=O)NCCCOC(C)C)[C@H]1C	ZINC000036379133	563127374	/nfs/dbraw/zinc/12/73/74/563127374.db2.gz	BQCPIVFXMJXKFT-DMTNHVFBSA-N	1	0	488.717	4.020	3	0		JIAFRO
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C1CCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5	ZINC000038157783	563132942	/nfs/dbraw/zinc/13/29/42/563132942.db2.gz	PGKKZFPBWMBKQG-VXVAYLJWSA-N	1	0	465.634	4.168	1	0		JIAFRO
CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(C[NH3+])cc1	ZINC000038751044	563135349	/nfs/dbraw/zinc/13/53/49/563135349.db2.gz	JVTNOENVDLOXQB-MHZLTWQESA-N	1	0	488.632	4.157	1	0		JIAFRO
COc1cc2c3c(n4c2c(c1)CCC4)[C@@H]1Oc2c4c(ccc2O)C[C@H]2[N@@H+](CC5CC5)CC[C@]41[C@@]2(O)C3	ZINC000040380264	563137623	/nfs/dbraw/zinc/13/76/23/563137623.db2.gz	PIVNMUAOLMQRON-UJLGHMMASA-N	1	0	484.596	4.001	1	0		JIAFRO
COc1ccc(OCCC[NH+](C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1	ZINC000040393584	563138519	/nfs/dbraw/zinc/13/85/19/563138519.db2.gz	LQRGRVAYEDLPTG-UHFFFAOYSA-N	1	0	493.543	4.022	1	0		JIAFRO
COc1cc2nc(N3CCC([NH+]4CCCC4)CC3)nc(NCCc3ccccc3)c2cc1OC	ZINC000040395305	563139098	/nfs/dbraw/zinc/13/90/98/563139098.db2.gz	DLVFKSQCSGECLA-UHFFFAOYSA-N	1	0	461.610	4.366	1	0		JIAFRO
CCC[N@H+](CCN1CCN(C(=O)c2cc3ccccc3o2)CC1)[C@H]1CCc2c(O)cccc2C1	ZINC000043011939	563164149	/nfs/dbraw/zinc/16/41/49/563164149.db2.gz	BEZQDVRSAHYQKR-QHCPKHFHSA-N	1	0	461.606	4.166	1	0		JIAFRO
CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCC[NH+](C)C)c(OC)c2)n1)c1cccnc1	ZINC000043062092	563165825	/nfs/dbraw/zinc/16/58/25/563165825.db2.gz	FKGYBKHMVLWODZ-HXUWFJFHSA-N	1	0	463.586	4.184	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1	ZINC000045190109	563175427	/nfs/dbraw/zinc/17/54/27/563175427.db2.gz	ZOJGSCKICDTGAK-UHFFFAOYSA-N	1	0	456.575	4.212	1	0		JIAFRO
COc1cc(C[N@@H+]2CC[C@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)ccc1F	ZINC000045202385	563178715	/nfs/dbraw/zinc/17/87/15/563178715.db2.gz	OXUNIQNFLKMORM-FQEVSTJZSA-N	1	0	450.514	4.020	1	0		JIAFRO
[NH2+]=C1N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCN12	ZINC000045246058	563181972	/nfs/dbraw/zinc/18/19/72/563181972.db2.gz	ZASDNILYUCOUST-JOCHJYFZSA-N	1	0	455.415	4.072	1	0		JIAFRO
[NH2+]=C1N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCN12	ZINC000045246059	563181979	/nfs/dbraw/zinc/18/19/79/563181979.db2.gz	ZASDNILYUCOUST-QFIPXVFZSA-N	1	0	455.415	4.072	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1	ZINC000045254546	563182461	/nfs/dbraw/zinc/18/24/61/563182461.db2.gz	HQVGADXQHMROOB-DEOSSOPVSA-N	1	0	476.694	4.179	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(C[NH2+]Cc3ccsc3)c2)s1	ZINC000045303027	563186923	/nfs/dbraw/zinc/18/69/23/563186923.db2.gz	LRNMPCFDOPFHIX-UHFFFAOYSA-N	1	0	461.678	4.141	1	0		JIAFRO
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCC2(CCCC[NH2+]2)CC1	ZINC000045370672	563193679	/nfs/dbraw/zinc/19/36/79/563193679.db2.gz	SNLNDEXRVZSRLX-UHFFFAOYSA-N	1	0	491.394	4.413	1	0		JIAFRO
Fc1cccc(-c2nnc(NCCC[NH+]3CCN(c4ncccn4)CC3)c3cc4ccccn4c32)c1	ZINC000049071760	563201419	/nfs/dbraw/zinc/20/14/19/563201419.db2.gz	QFHHHXGVZXVOLM-UHFFFAOYSA-N	1	0	482.567	4.103	1	0		JIAFRO
O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCC[NH2+]CCCCCO	ZINC000058541445	563207140	/nfs/dbraw/zinc/20/71/40/563207140.db2.gz	LPVDUIZFJKTWED-UHFFFAOYSA-N	1	0	469.807	4.415	1	0		JIAFRO
[NH3+]C1CN(C(=O)c2ccc(-c3cnc4ccc(NCc5ccc(Cl)c(Cl)c5)nn43)cc2)C1	ZINC000058584014	563208006	/nfs/dbraw/zinc/20/80/06/563208006.db2.gz	WOZGEJKWLUIPHB-UHFFFAOYSA-N	1	0	467.360	4.098	1	0		JIAFRO
COc1cccc(OC)c1OCC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2)c2ncccc2C)CC1	ZINC000061907817	563210696	/nfs/dbraw/zinc/21/06/96/563210696.db2.gz	OBGBCEFEESFOKT-MHZLTWQESA-N	1	0	489.616	4.404	3	0		JIAFRO
CCOC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@H]1c1ccc(OC)cc1	ZINC000003799555	562928425	/nfs/dbraw/zinc/92/84/25/562928425.db2.gz	LCNLJVWYYVXGMI-RTWAWAEBSA-N	1	0	462.543	4.118	1	0		JIAFRO
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1	ZINC000005616143	562934561	/nfs/dbraw/zinc/93/45/61/562934561.db2.gz	YPDZCOXYCXOQOH-LJAQVGFWSA-N	1	0	465.601	4.249	1	0		JIAFRO
O=S(=O)(NCCN1CC(C[NH2+][C@H]2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc21	ZINC000013439525	562962808	/nfs/dbraw/zinc/96/28/08/562962808.db2.gz	JIEXAWQYFXKUHL-VWLOTQADSA-N	1	0	498.092	4.241	1	0		JIAFRO
CC(C)C/C(=C/C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1	ZINC000013442351	562963576	/nfs/dbraw/zinc/96/35/76/562963576.db2.gz	GCWNBAKJDUQSQV-PGMHBOJBSA-N	1	0	476.602	4.353	1	0		JIAFRO
Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(=O)N3CCOCC3)c2)c1F	ZINC000013473992	562966553	/nfs/dbraw/zinc/96/65/53/562966553.db2.gz	YKQXJKDDIRGZTH-UHFFFAOYSA-N	1	0	468.460	4.009	1	0		JIAFRO
C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=[NH2+])N2CCC2)c1	ZINC000013487203	562967687	/nfs/dbraw/zinc/96/76/87/562967687.db2.gz	AJVUPTZGRCELSB-AAJARWTLSA-N	1	0	492.576	4.371	1	0		JIAFRO
C[NH2+][C@H](CC(C)C)Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O	ZINC000013580598	562975758	/nfs/dbraw/zinc/97/57/58/562975758.db2.gz	KHPYPQMZUKTRPZ-QGZVFWFLSA-N	1	0	489.538	4.094	1	0		JIAFRO
COc1ccc2c(c1)[C@H](NC(=O)CCCC[NH+]1CCN(c3ccccc3OC)CC1)CCC2	ZINC000013586519	562976618	/nfs/dbraw/zinc/97/66/18/562976618.db2.gz	RJYZMXKTUIJLHV-XMMPIXPASA-N	1	0	451.611	4.190	1	0		JIAFRO
CCc1ccc(-c2ccc(C(=O)N[C@H]3CCCCN(CC(=O)Nc4cccc(C[NH3+])c4)C3=O)cc2)cc1	ZINC000013588674	562977779	/nfs/dbraw/zinc/97/77/79/562977779.db2.gz	DXEPZNUUUFFFTR-MHZLTWQESA-N	1	0	498.627	4.124	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]([NH3+])c3ccccc3)c2=O)c1F	ZINC000013609590	562979150	/nfs/dbraw/zinc/97/91/50/562979150.db2.gz	CJUWBZDJMYYRDG-JOCHJYFZSA-N	1	0	495.501	4.160	1	0		JIAFRO
COc1cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC	ZINC000013782861	562992736	/nfs/dbraw/zinc/99/27/36/562992736.db2.gz	YQLQTQMHZRZKKJ-UHFFFAOYSA-N	1	0	455.562	4.141	1	0		JIAFRO
CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(Cl)ccc1-2	ZINC000013796226	562993138	/nfs/dbraw/zinc/99/31/38/562993138.db2.gz	BQIDHEMJYXFNBW-UHFFFAOYSA-N	1	0	474.005	4.383	1	0		JIAFRO
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[NH+]3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000013827905	562998879	/nfs/dbraw/zinc/99/88/79/562998879.db2.gz	NJVYRGAWHHHNQG-QVNMXXJYSA-N	1	0	495.572	4.032	1	0		JIAFRO
CCc1cc(OCCc2ccc(C[NH3+])cc2)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1	ZINC000013864354	563003981	/nfs/dbraw/zinc/00/39/81/563003981.db2.gz	OCBDDKFBRUAHEL-UHFFFAOYSA-N	1	0	455.576	4.414	1	0		JIAFRO
[NH3+][C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2[C@H]1c1ccc(F)cc1)Cc1ccc(F)c(F)c1	ZINC000014959003	563008175	/nfs/dbraw/zinc/00/81/75/563008175.db2.gz	WETXVMAIYXHWTN-IIBYNOLFSA-N	1	0	482.428	4.211	1	0		JIAFRO
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCCOC)c1)C(C)C	ZINC000014967519	563009381	/nfs/dbraw/zinc/00/93/81/563009381.db2.gz	XVOSASXCTQRVRE-VZVHPENPSA-N	1	0	494.717	4.336	1	0		JIAFRO
CN1c2ccccc2[C@H]2SC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)=C[C@@H]2C1=O	ZINC000020105137	563015619	/nfs/dbraw/zinc/01/56/19/563015619.db2.gz	ZMZCTIPQOIUGBY-WIOPSUGQSA-N	1	0	461.631	4.022	1	0		JIAFRO
CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4)cn32)CC1	ZINC000020490296	563016059	/nfs/dbraw/zinc/01/60/59/563016059.db2.gz	NNUWDAANJYYOGA-UHFFFAOYSA-N	1	0	461.635	4.282	1	0		JIAFRO
CC(=O)O[C@H]1[C@@H]([NH+]2CCN(C)CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000022859379	563017168	/nfs/dbraw/zinc/01/71/68/563017168.db2.gz	MLYWNJCQFJMIOA-JWLDDNKLSA-N	1	0	472.670	4.039	1	0		JIAFRO
O[C@@H](Cc1ccccc1)C[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000022925302	563017534	/nfs/dbraw/zinc/01/75/34/563017534.db2.gz	GJDQYWYMCFMZIM-MHZLTWQESA-N	1	0	466.572	4.292	1	0		JIAFRO
COc1c(Br)cc(Br)cc1COC[C@@H](c1ccccc1)N1CC[NH2+]CC1	ZINC000022926812	563017796	/nfs/dbraw/zinc/01/77/96/563017796.db2.gz	SSSMQSQCNAOVLJ-IBGZPJMESA-N	1	0	484.232	4.383	1	0		JIAFRO
C[C@@H](OC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC1=[NH2+])C(C)(C)C	ZINC000026252599	563024527	/nfs/dbraw/zinc/02/45/27/563024527.db2.gz	NKOKYDSPJVMOAQ-LJQANCHMSA-N	1	0	486.657	4.376	1	0		JIAFRO
C[C@H](OC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC1=[NH2+])C(C)(C)C	ZINC000026252606	563024556	/nfs/dbraw/zinc/02/45/56/563024556.db2.gz	NKOKYDSPJVMOAQ-IBGZPJMESA-N	1	0	486.657	4.376	1	0		JIAFRO
Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@H]2[NH+]1CCN(CCN2CCN(C(C)C)C2=O)CC1	ZINC000026659074	563032617	/nfs/dbraw/zinc/03/26/17/563032617.db2.gz	RYLUFOUUBWPVCW-XNMGPUDCSA-N	1	0	464.629	4.474	1	0		JIAFRO
CS(=O)(=O)Nc1ccc2c(c1)OC1(CC[NH+](CCc3cccc4ccccc43)CC1)CC2=O	ZINC000026741635	563034649	/nfs/dbraw/zinc/03/46/49/563034649.db2.gz	KWGFRDRXXIKKIO-UHFFFAOYSA-N	1	0	464.587	4.254	1	0		JIAFRO
CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CC3CCCCC3)cc2)cc1	ZINC000026952794	563037911	/nfs/dbraw/zinc/03/79/11/563037911.db2.gz	BPAYNJQOTISAGH-VOGWLNIHSA-N	1	0	465.594	4.334	1	0		JIAFRO
O=C(Nc1cc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)[nH]n1)Nc1cccc2c1[C@@H]1CCCN1C2=O	ZINC000027523312	563045200	/nfs/dbraw/zinc/04/52/00/563045200.db2.gz	CGHADMRBCNGDHX-UWJYYQICSA-N	1	0	476.968	4.255	1	0		JIAFRO
COc1cc2[nH+]c3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)C3	ZINC000027552691	563046122	/nfs/dbraw/zinc/04/61/22/563046122.db2.gz	MNZMMOCNWZJEOK-CYBMUJFWSA-N	1	0	459.468	4.388	1	0		JIAFRO
CC[N@H+](C)CCN1c2ccc(Cl)cc2S[C@H](c2ccc(OC)cc2)[C@H](OC(C)=O)C1=O	ZINC000027734325	563050771	/nfs/dbraw/zinc/05/07/71/563050771.db2.gz	XRCCVNITYUHQDQ-FCHUYYIVSA-N	1	0	462.999	4.412	1	0		JIAFRO
O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CC[NH2+]CC2)cc1	ZINC000028097306	563055971	/nfs/dbraw/zinc/05/59/71/563055971.db2.gz	WBZWKNANAPPRNN-UHFFFAOYSA-N	1	0	484.387	4.298	1	0		JIAFRO
O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)C1CC1	ZINC000028100755	563056055	/nfs/dbraw/zinc/05/60/55/563056055.db2.gz	UCWPAESBQKWZMV-FYYLOGMGSA-N	1	0	480.572	4.344	1	0		JIAFRO
CCc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CCc3cccc(Cl)c3)C2)cc(-c2nnnn2C)c1	ZINC000028332842	563059723	/nfs/dbraw/zinc/05/97/23/563059723.db2.gz	CCBLDBBIQVRKSJ-FQEVSTJZSA-N	1	0	482.032	4.169	1	0		JIAFRO
CCc1cc(I)c2c(c1)[C@@H]([NH2+]CCCNc1nc3cccnc3[nH]1)CCN2	ZINC000028364561	563061974	/nfs/dbraw/zinc/06/19/74/563061974.db2.gz	GUACDAXYBKVFIR-INIZCTEOSA-N	1	0	476.366	4.073	1	0		JIAFRO
O=C([C@@H](O)c1ccc(Cl)cc1)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028387003	563063307	/nfs/dbraw/zinc/06/33/07/563063307.db2.gz	PNZCHQDVWFMHPK-DEOSSOPVSA-N	1	0	470.038	4.116	1	0		JIAFRO
CC(=O)N1C[C@H](O)C[C@H]1C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000028528828	563068326	/nfs/dbraw/zinc/06/83/26/563068326.db2.gz	RNJWBAKLCQSABU-BJKOFHAPSA-N	1	0	462.569	4.044	1	0		JIAFRO
O=C1NCN(c2ccc(Cl)cc2)C12CC[NH+]([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2	ZINC000028564041	563069113	/nfs/dbraw/zinc/06/91/13/563069113.db2.gz	JOHACOBDYIRESQ-RCZVLFRGSA-N	1	0	457.977	4.038	1	0		JIAFRO
Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1	ZINC000028702817	563074751	/nfs/dbraw/zinc/07/47/51/563074751.db2.gz	NZOQKOSNMMQJED-UHFFFAOYSA-N	1	0	488.617	4.118	1	0		JIAFRO
CCC[NH+]1CCN(C(=O)OC[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000028880208	563084630	/nfs/dbraw/zinc/08/46/30/563084630.db2.gz	IUSSQNDJHZUQPS-OAQYLSRUSA-N	1	0	492.041	4.014	1	0		JIAFRO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O	ZINC000028884380	563084826	/nfs/dbraw/zinc/08/48/26/563084826.db2.gz	PWRRUNHUWZYATQ-QGZVFWFLSA-N	1	0	453.970	4.131	1	0		JIAFRO
Cc1cncc(COc2ccc(Nc3ncnn4ccc(CN5CCC([NH3+])CC5)c34)cc2Cl)c1	ZINC000028903171	563086431	/nfs/dbraw/zinc/08/64/31/563086431.db2.gz	NUJUYKXECYPXAW-UHFFFAOYSA-N	1	0	478.000	4.332	1	0		JIAFRO
CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3Cn3cccn3)CC2)C1	ZINC000028959690	563088829	/nfs/dbraw/zinc/08/88/29/563088829.db2.gz	XYEZUYUICZOZJH-IZZNHLLZSA-N	1	0	492.067	4.357	1	0		JIAFRO
CC[NH2+]Cc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1	ZINC000029047378	563092630	/nfs/dbraw/zinc/09/26/30/563092630.db2.gz	VHILIUBJTSCULR-AREMUKBSSA-N	1	0	464.516	4.300	1	0		JIAFRO
Cc1ccc(O)c(Cn2c3cc([C@@H](O)c4ccccc4)ccc3nc2NC2CC[NH+](C)CC2)n1	ZINC000029134401	563097911	/nfs/dbraw/zinc/09/79/11/563097911.db2.gz	HEVLJVLIRXCCAT-SANMLTNESA-N	1	0	457.578	4.081	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(=O)CC1	ZINC000034587607	563113960	/nfs/dbraw/zinc/11/39/60/563113960.db2.gz	KINUYGKZQPWLLK-IZZNHLLZSA-N	1	0	486.603	4.299	1	0		JIAFRO
CS(=O)(=O)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1	ZINC000034753283	563114984	/nfs/dbraw/zinc/11/49/84/563114984.db2.gz	NCIAOAAFFQTLIX-UHFFFAOYSA-N	1	0	493.564	4.267	1	0		JIAFRO
CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCC[N@H+]23)cc1	ZINC000036386523	563128923	/nfs/dbraw/zinc/12/89/23/563128923.db2.gz	XCSYXJWJGYKYRE-HULNYRCFSA-N	1	0	458.624	4.042	3	0		JIAFRO
Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)C[NH2+]CCO)c(C)c2)c2c1CC(C)(C)CC2	ZINC000036478069	563130386	/nfs/dbraw/zinc/13/03/86/563130386.db2.gz	BJXYKQSYVBGLCS-NRFANRHFSA-N	1	0	473.679	4.325	1	0		JIAFRO
CC[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1	ZINC000038211828	563133283	/nfs/dbraw/zinc/13/32/83/563133283.db2.gz	RJYBDEJWDSFJHQ-RBODFLQRSA-N	1	0	496.618	4.349	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1	ZINC000038803333	563135526	/nfs/dbraw/zinc/13/55/26/563135526.db2.gz	POFDQHAFICYDAQ-UHFFFAOYSA-N	1	0	485.426	4.271	1	0		JIAFRO
OC[C@@]1(CCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H](O5)[C@@H]1O	ZINC000040368872	563137075	/nfs/dbraw/zinc/13/70/75/563137075.db2.gz	ONHZVISJAPERIM-OXHBQIKWSA-N	1	0	489.656	4.204	1	0		JIAFRO
O=C(Cc1cccc2ccccc21)Nc1cc(Br)ccc1OCC[NH2+]CCCO	ZINC000040391704	563137848	/nfs/dbraw/zinc/13/78/48/563137848.db2.gz	FJGYRJVBAHZBKQ-UHFFFAOYSA-N	1	0	457.368	4.134	1	0		JIAFRO
CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(C[NH2+]C3CCCCC3)ccc21	ZINC000040429983	563143459	/nfs/dbraw/zinc/14/34/59/563143459.db2.gz	RSZZFPDNNOBJGC-UHFFFAOYSA-N	1	0	492.649	4.933	1	0		JIAFRO
C[NH+]1CCN(c2nc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3[nH]2)CC1	ZINC000040575490	563146345	/nfs/dbraw/zinc/14/63/45/563146345.db2.gz	RHHYVOUXHADFMO-UHFFFAOYSA-N	1	0	476.993	4.396	1	0		JIAFRO
Cc1nn(-c2c(Cl)cccc2NS(C)(=O)=O)cc1C[NH+]1CCC2(CC1)OCc1ccccc12	ZINC000040895448	563153818	/nfs/dbraw/zinc/15/38/18/563153818.db2.gz	JWHOPIWZAFADGZ-UHFFFAOYSA-N	1	0	487.025	4.227	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCCC6)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040896569	563154031	/nfs/dbraw/zinc/15/40/31/563154031.db2.gz	FLBOXTBSDMMGNU-UJLGHMMASA-N	1	0	468.597	4.382	1	0		JIAFRO
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC[N@@H+](C2CC2)CC1	ZINC000040933447	563156846	/nfs/dbraw/zinc/15/68/46/563156846.db2.gz	XNBYYJPLEOIBSP-UHFFFAOYSA-N	1	0	481.547	4.429	1	0		JIAFRO
CN1C(=O)CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O	ZINC000040957701	563161188	/nfs/dbraw/zinc/16/11/88/563161188.db2.gz	MHGJZCNJQULIDE-DEOSSOPVSA-N	1	0	455.396	4.378	1	0		JIAFRO
C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br	ZINC000043073170	563166424	/nfs/dbraw/zinc/16/64/24/563166424.db2.gz	QXIUURDYFXPCQP-UHFFFAOYSA-N	1	0	476.234	4.186	1	0		JIAFRO
Nc1[nH+]ccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)CCCOc4ccc3cc4)ccc21	ZINC000043169694	563168031	/nfs/dbraw/zinc/16/80/31/563168031.db2.gz	PZWZIARVTFDAIU-SANMLTNESA-N	1	0	481.556	4.398	1	0		JIAFRO
C[NH+](C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C)c1ccccc1	ZINC000043170004	563168042	/nfs/dbraw/zinc/16/80/42/563168042.db2.gz	XFMZYCHKCPPZQW-HXUWFJFHSA-N	1	0	465.529	4.291	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)s1	ZINC000045168387	563173631	/nfs/dbraw/zinc/17/36/31/563173631.db2.gz	RHNZCFHGZRTNQG-UHFFFAOYSA-N	1	0	481.687	4.046	1	0		JIAFRO
COc1ccc(NC(=O)c2cn(-c3ccc(C(C)(C)C)cc3)nc2C)cc1N1CC[NH+](C)CC1	ZINC000045168877	563173932	/nfs/dbraw/zinc/17/39/32/563173932.db2.gz	CFJZWGZVLLDTRK-UHFFFAOYSA-N	1	0	461.610	4.491	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(C[NH2+]C3Cc4ccccc4C3)c2)cc1F	ZINC000045202534	563178905	/nfs/dbraw/zinc/17/89/05/563178905.db2.gz	IEJPYHHLCALOLK-UHFFFAOYSA-N	1	0	493.648	4.124	1	0		JIAFRO
Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCCNS(C)(=O)=O)cc4)s3)nc21	ZINC000045202927	563179097	/nfs/dbraw/zinc/17/90/97/563179097.db2.gz	FSXJRBNNVSFHIP-UHFFFAOYSA-N	1	0	454.621	4.296	1	0		JIAFRO
COc1ccc2c(c1)CN[C@@](C)(C(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2	ZINC000045288421	563184494	/nfs/dbraw/zinc/18/44/94/563184494.db2.gz	IBZAUPIJZFFUQN-CVPYSTOQSA-N	1	0	493.692	4.246	1	0		JIAFRO
CN1CCC([NH2+]Cc2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)c(F)c3)cc2)CC1	ZINC000045322352	563188436	/nfs/dbraw/zinc/18/84/36/563188436.db2.gz	AGYXCEGDNLXGCZ-UHFFFAOYSA-N	1	0	467.610	4.155	1	0		JIAFRO
C[N@@H+]1CCC[C@H]1CCNc1ncc(C(=O)NCCc2ccccc2)c(NCC2CCCCC2)n1	ZINC000045371310	563193766	/nfs/dbraw/zinc/19/37/66/563193766.db2.gz	LNEBMXPUQKRAKB-QHCPKHFHSA-N	1	0	464.658	4.338	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2ccc(O)c3ncccc23)CC1)[C@@H]1CCc2c(O)cccc2C1	ZINC000045374690	563194067	/nfs/dbraw/zinc/19/40/67/563194067.db2.gz	WUJBQGWQEZSHSL-JOCHJYFZSA-N	1	0	460.622	4.038	1	0		JIAFRO
COc1cc2nc(N3CCC([N@H+](C)CCCO)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC	ZINC000045498462	563196211	/nfs/dbraw/zinc/19/62/11/563196211.db2.gz	COCWQKFCDRXFCL-UHFFFAOYSA-N	1	0	486.016	4.327	1	0		JIAFRO
C[NH+](C)CCCNC(=O)c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2	ZINC000049032266	563197884	/nfs/dbraw/zinc/19/78/84/563197884.db2.gz	MUVYYVZAJFICKR-IBGZPJMESA-N	1	0	461.591	4.087	1	0		JIAFRO
O=C1CSc2ccc(C[NH2+]C3CCN(CCc4c(Cl)cnc5ccc(F)cc54)CC3)nc2N1	ZINC000052996091	563204923	/nfs/dbraw/zinc/20/49/23/563204923.db2.gz	DRXZDBOEMPQPIW-UHFFFAOYSA-N	1	0	486.016	4.263	1	0		JIAFRO
[NH3+]CCNC(=O)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1	ZINC000058591543	563208196	/nfs/dbraw/zinc/20/81/96/563208196.db2.gz	LDUBKHXRFKXHKV-UHFFFAOYSA-N	1	0	455.349	4.004	1	0		JIAFRO
COc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3c2CC[C@@H]([NH+](C)C)C3)cc1	ZINC000060325707	563209461	/nfs/dbraw/zinc/20/94/61/563209461.db2.gz	TVWJLEDPDYVIAF-OAHLLOKOSA-N	1	0	463.397	4.068	1	0		JIAFRO
Cn1cc(NC(=O)CCCn2c3ccccc3c3ccccc32)cc1C(=O)NCCC[NH+](C)C	ZINC000001663024	562923105	/nfs/dbraw/zinc/92/31/05/562923105.db2.gz	MIFSQZOAHJIZRZ-UHFFFAOYSA-N	1	0	459.594	4.233	1	0		JIAFRO
O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2nc(N3CCOCC3)sc2c1	ZINC000008912750	562955322	/nfs/dbraw/zinc/95/53/22/562955322.db2.gz	GMIGOMRQSYXNIM-UHFFFAOYSA-N	1	0	478.662	4.208	3	0		JIAFRO
O=C([C@H]1CC(=O)c2ccccc21)N1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1	ZINC000011996194	562958289	/nfs/dbraw/zinc/95/82/89/562958289.db2.gz	IAIQWDMGZMDMTJ-MHZLTWQESA-N	1	0	497.595	4.216	1	0		JIAFRO
COc1cc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)cc(C(=O)N(C)C)c1	ZINC000013474038	562966605	/nfs/dbraw/zinc/96/66/05/562966605.db2.gz	CEEZQPBILSGNKK-UHFFFAOYSA-N	1	0	456.449	4.247	1	0		JIAFRO
C[C@H](NC(=O)[C@@H](NC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccccc1)c1cccc(Br)c1	ZINC000013489421	562968625	/nfs/dbraw/zinc/96/86/25/562968625.db2.gz	CYHCXTJUTDNJEJ-BTYIYWSLSA-N	1	0	494.393	4.473	1	0		JIAFRO
O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1	ZINC000013493013	562970198	/nfs/dbraw/zinc/97/01/98/562970198.db2.gz	IVQOPWPGYZWSKH-UHFFFAOYSA-N	1	0	484.579	4.431	1	0		JIAFRO
O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1	ZINC000013529017	562971988	/nfs/dbraw/zinc/97/19/88/562971988.db2.gz	YQLGIKXRTZJNLK-VWLOTQADSA-N	1	0	459.586	4.225	1	0		JIAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2cc(Nc3cc(C(F)(F)F)ccc3F)ncn2)cc1	ZINC000013537904	562972844	/nfs/dbraw/zinc/97/28/44/562972844.db2.gz	OSCWQKTUILTARV-MRXNPFEDSA-N	1	0	465.451	4.423	1	0	in-vivo	JIAFRO
O=C(Nc1[nH]nc2nc(-c3ccco3)c(Br)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000013538652	562972912	/nfs/dbraw/zinc/97/29/12/562972912.db2.gz	HDONVKMMRZKRCC-HNNXBMFYSA-N	1	0	466.339	4.441	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3ccc4[nH]ccc4c3)C1)CC2	ZINC000013558963	562974632	/nfs/dbraw/zinc/97/46/32/562974632.db2.gz	GFDSOEVUTCNTBH-OAQYLSRUSA-N	1	0	463.578	4.117	1	0		JIAFRO
Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1	ZINC000013580502	562975667	/nfs/dbraw/zinc/97/56/67/562975667.db2.gz	ABQQJUQDHRDZGR-ZVBBVAIHSA-N	1	0	486.603	4.415	1	0		JIAFRO
COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc54)[C@H](C)C3)cc21	ZINC000013587200	562976964	/nfs/dbraw/zinc/97/69/64/562976964.db2.gz	MAOCCUAKRQNENS-SQNIBIBYSA-N	1	0	493.629	4.498	1	0		JIAFRO
COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3C)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000013799266	562993635	/nfs/dbraw/zinc/99/36/35/562993635.db2.gz	QDOLXXYRZRGMGK-MHZLTWQESA-N	1	0	470.529	4.011	1	0		JIAFRO
CC(C)[N@@H+]1CCC(C[C@H](O)CCc2ccccc2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1	ZINC000013838021	563001581	/nfs/dbraw/zinc/00/15/81/563001581.db2.gz	RWTXFFKCVUPPAH-JOCHJYFZSA-N	1	0	471.686	4.224	1	0		JIAFRO
O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc(N2CCOc3ccccc32)s1	ZINC000015735024	563011668	/nfs/dbraw/zinc/01/16/68/563011668.db2.gz	MTYHZILKUHFQLZ-UHFFFAOYSA-N	1	0	468.667	4.349	1	0		JIAFRO
Cc1nnc2n1c1ccccc1c(=O)n2CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022036228	563016765	/nfs/dbraw/zinc/01/67/65/563016765.db2.gz	IHTWZHOQGBESPE-UHFFFAOYSA-N	1	0	492.627	4.150	1	0		JIAFRO
CC[C@@]1(c2ccccc2)NC(=O)N(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O	ZINC000022932275	563018466	/nfs/dbraw/zinc/01/84/66/563018466.db2.gz	KHKHAYYBYAWAEH-PMERELPUSA-N	1	0	482.628	4.251	1	0		JIAFRO
O[C@@H](COc1ccc2ncccc2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934063	563018691	/nfs/dbraw/zinc/01/86/91/563018691.db2.gz	QNPZGLZBGURXDW-AREMUKBSSA-N	1	0	453.586	4.382	1	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)COc2ccccc2Cl)cc1OC	ZINC000026008999	563021712	/nfs/dbraw/zinc/02/17/12/563021712.db2.gz	WWDFCGVEPAQJBF-UHFFFAOYSA-N	1	0	468.381	4.091	1	0		JIAFRO
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000026264745	563024816	/nfs/dbraw/zinc/02/48/16/563024816.db2.gz	PPNQEJLSMHORHY-UHFFFAOYSA-N	1	0	482.628	4.475	1	0		JIAFRO
CC(C)N(CC[C@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1Cl)C(=O)C(F)(F)F	ZINC000026268939	563025014	/nfs/dbraw/zinc/02/50/14/563025014.db2.gz	YOOGFTAVYPSMTI-NRFANRHFSA-N	1	0	461.956	4.129	1	0		JIAFRO
COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2C(F)(F)F)cc1	ZINC000026381883	563026766	/nfs/dbraw/zinc/02/67/66/563026766.db2.gz	NIOGKTQQSAUMBL-QHCPKHFHSA-N	1	0	491.554	4.422	1	0		JIAFRO
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(O)CC2)cc(OC)c1	ZINC000026488941	563028431	/nfs/dbraw/zinc/02/84/31/563028431.db2.gz	NRRVUVRKPIWJTG-UHFFFAOYSA-N	1	0	477.001	4.328	1	0		JIAFRO
C[C@H]1C[N@H+](CCCCN2C(=O)CC3(CCCC3)CC2=O)CCN1c1nsc2ccccc21	ZINC000027199898	563041343	/nfs/dbraw/zinc/04/13/43/563041343.db2.gz	GSTHIQFQEPJTJH-IBGZPJMESA-N	1	0	454.640	4.296	1	0		JIAFRO
CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)CCC(=O)OCc1ccccc1	ZINC000027522737	563045133	/nfs/dbraw/zinc/04/51/33/563045133.db2.gz	JEJDPIGGWJSKQS-OAQYLSRUSA-N	1	0	473.548	4.121	1	0		JIAFRO
COc1cc2[nH+]c3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1ccccc1C(F)(F)F)C3	ZINC000027550213	563045947	/nfs/dbraw/zinc/04/59/47/563045947.db2.gz	QIOOWTWBRUIBKP-CYBMUJFWSA-N	1	0	459.468	4.388	1	0		JIAFRO
CCCCNC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@@H]1c1ccc(OC)cc1	ZINC000027736864	563050960	/nfs/dbraw/zinc/05/09/60/563050960.db2.gz	LCMWXUDAUUSJAA-DHIUTWEWSA-N	1	0	489.613	4.471	1	0		JIAFRO
[NH3+][C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CS2)c1ccccc1	ZINC000028118718	563056766	/nfs/dbraw/zinc/05/67/66/563056766.db2.gz	IVIDZBGALXXDPN-FCHUYYIVSA-N	1	0	459.546	4.211	1	0		JIAFRO
Cc1ccc(Cl)c(O[C@H](C(C)C)[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1	ZINC000028333021	563059689	/nfs/dbraw/zinc/05/96/89/563059689.db2.gz	BOWNRQWYUOTCCD-LADGPHEKSA-N	1	0	458.002	4.393	1	0		JIAFRO
O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2ccsc21	ZINC000028367022	563062061	/nfs/dbraw/zinc/06/20/61/563062061.db2.gz	HMWUEOQAHKJQTK-UHFFFAOYSA-N	1	0	472.206	4.101	1	0		JIAFRO
Cc1nc(N)sc1S(=O)(=O)n1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21	ZINC000028526555	563068030	/nfs/dbraw/zinc/06/80/30/563068030.db2.gz	VKTXPTDFLCKRFX-GOSISDBHSA-N	1	0	452.605	4.215	1	0		JIAFRO
COc1ccc(CCC[NH+]2CCN(C)CC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc21	ZINC000028565933	563069480	/nfs/dbraw/zinc/06/94/80/563069480.db2.gz	ZBJHZMBCJCODSD-UHFFFAOYSA-N	1	0	493.562	4.230	1	0		JIAFRO
C[C@@H](NC(=O)Nc1ccc2c(Cl)c(OCCSC(N)=[NH2+])oc(=O)c2c1)c1ccccc1	ZINC000028757834	563077955	/nfs/dbraw/zinc/07/79/55/563077955.db2.gz	BIQOZGUOXPUBER-GFCCVEGCSA-N	1	0	460.943	4.335	1	0		JIAFRO
C[NH2+]C1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1	ZINC000028903054	563086380	/nfs/dbraw/zinc/08/63/80/563086380.db2.gz	MLYHNVDOBUQIID-UHFFFAOYSA-N	1	0	484.583	4.194	1	0		JIAFRO
O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3cnccn3)sc2c1	ZINC000028967684	563089595	/nfs/dbraw/zinc/08/95/95/563089595.db2.gz	RTGNLCLVEHTZRB-UHFFFAOYSA-N	1	0	482.569	4.011	1	0		JIAFRO
Brc1cccc(Nc2ncnc3ccncc32)c1NCCCC[NH+]1CCOCC1	ZINC000029133746	563097670	/nfs/dbraw/zinc/09/76/70/563097670.db2.gz	PWJJLIRGXBNHEM-UHFFFAOYSA-N	1	0	457.376	4.055	1	0		JIAFRO
C[N@H+](C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCC1	ZINC000029406429	563102926	/nfs/dbraw/zinc/10/29/26/563102926.db2.gz	ODSKHBXLHLMOTH-OAQYLSRUSA-N	1	0	461.610	4.431	1	0		JIAFRO
O=c1[nH]c2ccccc2n1CC[NH+]1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1	ZINC000029568240	563107527	/nfs/dbraw/zinc/10/75/27/563107527.db2.gz	NRVRUMDYZAHATE-UHFFFAOYSA-N	1	0	467.577	4.111	1	0		JIAFRO
c1ccc(Cn2c(NC3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)nc3cccnc32)cc1	ZINC000029568348	563107568	/nfs/dbraw/zinc/10/75/68/563107568.db2.gz	YXCDBSUEWQVLRU-JOCHJYFZSA-N	1	0	455.562	4.196	1	0		JIAFRO
CC(=O)O[C@H]1[C@@H]([NH+]2CCOCC2)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000031870603	563108683	/nfs/dbraw/zinc/10/86/83/563108683.db2.gz	ZKFREPFWMIRTGZ-XTZJLTRESA-N	1	0	459.627	4.123	1	0		JIAFRO
COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000035850402	563120767	/nfs/dbraw/zinc/12/07/67/563120767.db2.gz	CSWBSNSTYUDGBJ-HDICACEKSA-N	1	0	469.582	4.489	1	0		JIAFRO
CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@@H]2O5	ZINC000036221105	563124318	/nfs/dbraw/zinc/12/43/18/563124318.db2.gz	CPYPBXTZJKPBSH-ZEQNGONWSA-N	1	0	459.586	4.218	1	0		JIAFRO
CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@@H]2O5	ZINC000036221099	563124386	/nfs/dbraw/zinc/12/43/86/563124386.db2.gz	CPYPBXTZJKPBSH-UKIIKKKOSA-N	1	0	459.586	4.218	1	0		JIAFRO
O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)c1)C1CC1	ZINC000036338407	563126333	/nfs/dbraw/zinc/12/63/33/563126333.db2.gz	OYPWCLNPRFBHLF-GMAHTHKFSA-N	1	0	480.572	4.344	1	0		JIAFRO
CCc1[nH+]c(N)nc(N(CC)CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000036349163	563126526	/nfs/dbraw/zinc/12/65/26/563126526.db2.gz	BUOKJXPCJYOVBR-UHFFFAOYSA-N	1	0	453.612	4.150	1	0		JIAFRO
C[NH2+][C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1	ZINC000036351527	563126851	/nfs/dbraw/zinc/12/68/51/563126851.db2.gz	VKAMBSPXFFZIQB-KRWDZBQOSA-N	1	0	471.508	4.326	1	0		JIAFRO
CC[NH2+][C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1	ZINC000036435936	563130146	/nfs/dbraw/zinc/13/01/46/563130146.db2.gz	FVOXBJLRXMOOSR-QRQCRPRQSA-N	1	0	490.000	4.387	1	0		JIAFRO
CC[NH2+][C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1	ZINC000036435935	563130155	/nfs/dbraw/zinc/13/01/55/563130155.db2.gz	FVOXBJLRXMOOSR-NYHFZMIOSA-N	1	0	490.000	4.387	1	0		JIAFRO
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(C(=O)N[C@H]4CC[NH2+]C4)c3)nnc2c1	ZINC000038269505	563133645	/nfs/dbraw/zinc/13/36/45/563133645.db2.gz	GFBCFNSBHPNIGR-QFIPXVFZSA-N	1	0	452.562	4.452	1	0		JIAFRO
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[NH3+])CC4)cc2)CC3)cc1	ZINC000040392702	563138089	/nfs/dbraw/zinc/13/80/89/563138089.db2.gz	KYEPGAUTNSUJET-UHFFFAOYSA-N	1	0	456.468	4.093	1	0		JIAFRO
COc1cc(C)c(CCC[NH+](C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1	ZINC000040848373	563149620	/nfs/dbraw/zinc/14/96/20/563149620.db2.gz	MYPQGCUDQYBJLG-UHFFFAOYSA-N	1	0	491.571	4.494	1	0		JIAFRO
CCCCCC(=O)S[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000040863933	563150709	/nfs/dbraw/zinc/15/07/09/563150709.db2.gz	SWXTVCRTKVUDRB-HUQAVDGPSA-N	1	0	457.636	4.165	1	0		JIAFRO
CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([C@H]2CCCC[N@@H+]2C)CC1	ZINC000040867197	563151309	/nfs/dbraw/zinc/15/13/09/563151309.db2.gz	YOXAXZMACJPJQC-HXUWFJFHSA-N	1	0	490.497	4.030	1	0		JIAFRO
C=C1C(Cl)=CC=C1c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H]([NH3+])c2ccccc2)c1=O	ZINC000040876148	563152357	/nfs/dbraw/zinc/15/23/57/563152357.db2.gz	MQBKLGXUDJZCII-QHCPKHFHSA-N	1	0	481.930	4.421	1	0		JIAFRO
COc1ccc([C@]2(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)cc1	ZINC000040953672	563160280	/nfs/dbraw/zinc/16/02/80/563160280.db2.gz	XSHGJOYDZAJONZ-DEOSSOPVSA-N	1	0	471.395	4.044	1	0		JIAFRO
CCCCC(=O)N1CC[NH+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CC1	ZINC000040954173	563160402	/nfs/dbraw/zinc/16/04/02/563160402.db2.gz	NNHYBPYENUPDML-ADWUDYDCSA-N	1	0	460.703	4.064	1	0		JIAFRO
O=C1CC[C@@](c2ccc(F)cc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C(=O)N1	ZINC000040957718	563161155	/nfs/dbraw/zinc/16/11/55/563161155.db2.gz	BUEUGBNZNPHBIF-HSZRJFAPSA-N	1	0	459.359	4.175	1	0		JIAFRO
CN(CC(=O)N1CCN(c2ccccc2)C[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1	ZINC000040980376	563162394	/nfs/dbraw/zinc/16/23/94/563162394.db2.gz	YCQVUICBLXERSU-NRFANRHFSA-N	1	0	461.437	4.243	1	0		JIAFRO
COc1cccc(N2CCN(C(=O)CN(C)c3ccc(Cl)c(Cl)c3)[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000040980374	563162400	/nfs/dbraw/zinc/16/24/00/563162400.db2.gz	USMPCAJBDFMAHQ-NRFANRHFSA-N	1	0	491.463	4.251	1	0		JIAFRO
O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1c[nH]c(=O)c(Cl)c1	ZINC000043118577	563167199	/nfs/dbraw/zinc/16/71/99/563167199.db2.gz	XTKKCHSZIDZKRF-UHFFFAOYSA-N	1	0	478.902	4.232	1	0		JIAFRO
Nc1[nH+]ccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCCOc4ccc3cc4)ccc21	ZINC000043169696	563168027	/nfs/dbraw/zinc/16/80/27/563168027.db2.gz	PZWZIARVTFDAIU-AREMUKBSSA-N	1	0	481.556	4.398	1	0		JIAFRO
Cc1[nH]nc2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(N)nc3-c3ccoc3C)nc12	ZINC000043202934	563168584	/nfs/dbraw/zinc/16/85/84/563168584.db2.gz	CMPFTOKTVXYPFY-KRWDZBQOSA-N	1	0	494.559	4.304	1	0		JIAFRO
c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(CCN6CCOCC6)CC5)cc4)cc3)nc2c1	ZINC000045192474	563176295	/nfs/dbraw/zinc/17/62/95/563176295.db2.gz	OEHUCSRBEVCVIB-UHFFFAOYSA-N	1	0	481.644	4.347	1	0		JIAFRO
O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3cnccc32)CC1	ZINC000045194284	563176985	/nfs/dbraw/zinc/17/69/85/563176985.db2.gz	OFAODJWRBLZBRS-OAQYLSRUSA-N	1	0	477.634	4.467	1	0		JIAFRO
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1	ZINC000045322994	563188638	/nfs/dbraw/zinc/18/86/38/563188638.db2.gz	ACBKAQXPARFAFF-UHFFFAOYSA-N	1	0	487.391	4.042	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)cc1F	ZINC000045336801	563190304	/nfs/dbraw/zinc/19/03/04/563190304.db2.gz	JJHJBMPJYNWNNQ-UHFFFAOYSA-N	1	0	467.610	4.157	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4ccnc5ccccc45)CC3)c2c1	ZINC000045339073	563190970	/nfs/dbraw/zinc/19/09/70/563190970.db2.gz	ZRRUVGLPNKSCPO-NTMKBESRSA-N	1	0	482.584	4.119	1	0		JIAFRO
Cc1cccc(CCNC(=O)c2cc(Br)cc(N3CCN(c4cc[nH+]cc4)CC3)c2)c1	ZINC000045339305	563191056	/nfs/dbraw/zinc/19/10/56/563191056.db2.gz	LQULQHGKCVKMBJ-UHFFFAOYSA-N	1	0	479.422	4.452	1	0		JIAFRO
Cc1[nH]nc2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12	ZINC000045391891	563195194	/nfs/dbraw/zinc/19/51/94/563195194.db2.gz	ZUFPYCGWUXYDBH-SFHVURJKSA-N	1	0	465.517	4.413	1	0		JIAFRO
Cc1cccc(-c2nnc(NCCC[NH+]3CCN(c4ncccn4)CC3)c3cc4ccccn4c32)c1	ZINC000049069943	563201161	/nfs/dbraw/zinc/20/11/61/563201161.db2.gz	SXIMWTLGTMJJMZ-UHFFFAOYSA-N	1	0	478.604	4.272	1	0		JIAFRO
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](C2CCN(C(C)=O)CC2)CC3)cc1	ZINC000049089305	563201901	/nfs/dbraw/zinc/20/19/01/563201901.db2.gz	BNGJUFOQKFIMHD-UHFFFAOYSA-N	1	0	483.678	4.242	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(OCC[C@@H]3CCCC[N@@H+]3C)cn2cc1-c1cccc(Cl)c1	ZINC000058583617	563207961	/nfs/dbraw/zinc/20/79/61/563207961.db2.gz	SLWSCROOPGAFDQ-NRFANRHFSA-N	1	0	485.028	4.199	1	0		JIAFRO
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCOC(C)(C)C5)C[C@]4(C)[C@H]3CC[C@]12C	ZINC000058617405	563208502	/nfs/dbraw/zinc/20/85/02/563208502.db2.gz	WAGYXMQNJQMWRV-MFWQBBNNSA-N	1	0	489.697	4.228	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cc(CC(C)(C)C)cs2)CC1	ZINC000058655658	563208628	/nfs/dbraw/zinc/20/86/28/563208628.db2.gz	YEGCCSKZPHGALE-LEWJYISDSA-N	1	0	450.595	4.302	1	0	in-vitro	JIAFRO
CCc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cn2c1N(CCC(C)C)CC[NH+](C)C	ZINC000061896321	563209783	/nfs/dbraw/zinc/20/97/83/563209783.db2.gz	TXMLIDNQNTXMIP-UHFFFAOYSA-N	1	0	490.696	4.273	3	0		JIAFRO
C[NH2+]CO[C@@H]1Cc2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H]1c1ccc(O)c(OC)c1	ZINC000085568222	560070272	/nfs/dbraw/zinc/07/02/72/560070272.db2.gz	ZMHHASXEWJGGPE-XNMGPUDCSA-N	1	0	463.530	4.119	1	0	biogenic,in-vitro	JIAFRO
C[C@H](CC[NH+]1CCC(C)CC1)N(C)S(=O)(=O)c1cc(Br)c(Br)s1	ZINC000001487237	562920236	/nfs/dbraw/zinc/92/02/36/562920236.db2.gz	ILUYQSJQCQHIFC-GFCCVEGCSA-N	1	0	488.311	4.404	1	0		JIAFRO
CC[C@]1(C2CC[NH+](Cc3cccc(Cl)c3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O	ZINC000012020912	562958469	/nfs/dbraw/zinc/95/84/69/562958469.db2.gz	UIJFRSSIKKOWIC-HFZDXXHNSA-N	1	0	483.996	4.093	1	0		JIAFRO
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2	ZINC000012025962	562958525	/nfs/dbraw/zinc/95/85/25/562958525.db2.gz	LAKUFKQAHLLOCT-VWLOTQADSA-N	1	0	454.578	4.012	1	0		JIAFRO
CCOc1c(Br)cc([S@@](C)=O)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1	ZINC000013487776	562967947	/nfs/dbraw/zinc/96/79/47/562967947.db2.gz	DFQHTYMJYXEPMT-PMERELPUSA-N	1	0	492.439	4.431	1	0		JIAFRO
[NH3+][C@@H]1[C@@H](c2ccc(O)cc2)N(Cc2cccnc2)C(=O)C[C@H]1c1cccc(Br)c1	ZINC000013521536	562970970	/nfs/dbraw/zinc/97/09/70/562970970.db2.gz	IWCOMUSIVDXXJY-ACIOBRDBSA-N	1	0	452.352	4.134	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[NH2+]CC(C)C)c2=O)c1	ZINC000013553298	562973271	/nfs/dbraw/zinc/97/32/71/562973271.db2.gz	CGNXZWZVWKPVAS-KRWDZBQOSA-N	1	0	471.548	4.127	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[N@H+](C)CC3CC3)c2=O)c1	ZINC000013553294	562973288	/nfs/dbraw/zinc/97/32/88/562973288.db2.gz	OKPAYFFQWSXKKJ-KRWDZBQOSA-N	1	0	483.559	4.223	1	0		JIAFRO
O=C(NCCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(c1ccccc1)c1ccccc1	ZINC000013755531	562988534	/nfs/dbraw/zinc/98/85/34/562988534.db2.gz	JFEYYMRBXRWTRQ-UHFFFAOYSA-N	1	0	468.601	4.305	1	0		JIAFRO
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2C3CC4CC(C3)CC2C4)C1	ZINC000013756915	562988847	/nfs/dbraw/zinc/98/88/47/562988847.db2.gz	UYRXOOUBRAEWNZ-OBBCFLIVSA-N	1	0	472.029	4.326	1	0		JIAFRO
Cc1cc(-c2ccccc2)c2c(n1)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000013800205	562993841	/nfs/dbraw/zinc/99/38/41/562993841.db2.gz	PGZYSMSBROYGAI-QVDUQQMDSA-N	1	0	466.581	4.462	1	0		JIAFRO
C/C=C1/NN(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1CCOc1ccccc1	ZINC000013813261	562995864	/nfs/dbraw/zinc/99/58/64/562995864.db2.gz	YQHHLVOMCKOJLT-LCHOGURTSA-N	1	0	470.017	4.035	1	0		JIAFRO
COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](CCCOc3ccc4c(c3)CCC4)C1)CC2	ZINC000022930506	563018114	/nfs/dbraw/zinc/01/81/14/563018114.db2.gz	QRGOGDUIZWEWIP-RUZDIDTESA-N	1	0	450.623	4.484	1	0		JIAFRO
COc1ccc(OCCC[N@@H+]2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)cc1OC	ZINC000022930494	563018197	/nfs/dbraw/zinc/01/81/97/563018197.db2.gz	IZTIJQDBLLGYFY-QFIPXVFZSA-N	1	0	470.610	4.013	1	0		JIAFRO
O[C@@H](COc1cccc2ncccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934088	563018665	/nfs/dbraw/zinc/01/86/65/563018665.db2.gz	AHUJPTIVDGIZLP-RUZDIDTESA-N	1	0	453.586	4.382	1	0		JIAFRO
[NH3+][C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000023360832	563020095	/nfs/dbraw/zinc/02/00/95/563020095.db2.gz	RYTXLXDKGBGSQO-MHZLTWQESA-N	1	0	465.588	4.258	1	0		JIAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1OC	ZINC000026011403	563021717	/nfs/dbraw/zinc/02/17/17/563021717.db2.gz	HJJSQZRYWGXDPY-INIZCTEOSA-N	1	0	480.392	4.234	1	0		JIAFRO
COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c[nH]1	ZINC000026170182	563023329	/nfs/dbraw/zinc/02/33/29/563023329.db2.gz	XWPFAYFZWMVJSL-SFHVURJKSA-N	1	0	455.400	4.460	1	0		JIAFRO
[NH3+]C1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)CCCCC1	ZINC000026267319	563024896	/nfs/dbraw/zinc/02/48/96/563024896.db2.gz	PEQFJWXXANOQGW-HHHXNRCGSA-N	1	0	498.671	4.363	1	0		JIAFRO
NC(=[NH2+])c1ccc(C(=O)NC[C@H]2CCCN(C(=O)NCCC(c3ccccc3)c3ccccc3)C2)cc1	ZINC000026402320	563027656	/nfs/dbraw/zinc/02/76/56/563027656.db2.gz	MTBAFEYFAMWIEP-JOCHJYFZSA-N	1	0	497.643	4.344	1	0		JIAFRO
COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1	ZINC000026492183	563028512	/nfs/dbraw/zinc/02/85/12/563028512.db2.gz	LRABQNQVQMNJAY-NRFANRHFSA-N	1	0	486.657	4.199	1	0		JIAFRO
O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(c2noc3ccc(Cl)cc32)CC1	ZINC000027192135	563041026	/nfs/dbraw/zinc/04/10/26/563041026.db2.gz	FMNYIECFIPKHKQ-UHFFFAOYSA-N	1	0	458.990	4.093	1	0		JIAFRO
CCOC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@@H]1c1ccc(OC)cc1	ZINC000027744835	563051087	/nfs/dbraw/zinc/05/10/87/563051087.db2.gz	LCNLJVWYYVXGMI-NHCUHLMSSA-N	1	0	462.543	4.118	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCCF)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000028013803	563054992	/nfs/dbraw/zinc/05/49/92/563054992.db2.gz	YVTDFKWJICCMTQ-FQYQUSJJSA-N	1	0	474.576	4.406	1	0		JIAFRO
CCCc1cc(OCC2CC[NH2+]CC2)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000028253717	563059091	/nfs/dbraw/zinc/05/90/91/563059091.db2.gz	HBHJVRNQWGJTFP-UHFFFAOYSA-N	1	0	484.604	4.075	1	0		JIAFRO
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1nnc(-c3ccccc3)o1)C2	ZINC000028262163	563059430	/nfs/dbraw/zinc/05/94/30/563059430.db2.gz	FAVYTWZYDXUQNJ-GBBCLITESA-N	1	0	483.568	4.133	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C)C2)C1	ZINC000028394508	563063766	/nfs/dbraw/zinc/06/37/66/563063766.db2.gz	XNCXMOJZOJYPBA-OALUTQOASA-N	1	0	494.583	4.336	1	0		JIAFRO
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCC[NH+]3CCCC3)ncn2)s1	ZINC000028396827	563063835	/nfs/dbraw/zinc/06/38/35/563063835.db2.gz	CMAJPQYJCUHMEK-UHFFFAOYSA-N	1	0	457.991	4.399	1	0		JIAFRO
O=C1[C@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000028398273	563063927	/nfs/dbraw/zinc/06/39/27/563063927.db2.gz	NKYJLIWHMCZXIF-SVBPBHIXSA-N	1	0	493.673	4.180	1	0		JIAFRO
COc1ccccc1-c1ccc(CC(=O)NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000028397587	563063934	/nfs/dbraw/zinc/06/39/34/563063934.db2.gz	QBIOYSMPHPCHRI-UHFFFAOYSA-N	1	0	458.558	4.414	1	0		JIAFRO
[NH3+][C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2F)c1=O)c1ccccc1	ZINC000028476968	563066070	/nfs/dbraw/zinc/06/60/70/563066070.db2.gz	HYFHKEYEUYHQDQ-QHCPKHFHSA-N	1	0	467.903	4.357	1	0		JIAFRO
COc1ccc(NC(=O)NC(C)C)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000028525978	563067849	/nfs/dbraw/zinc/06/78/49/563067849.db2.gz	YORQKKJBGIZEOX-UHFFFAOYSA-N	1	0	458.990	4.273	1	0		JIAFRO
CC(C)[C@@H](CNc1nccc(OCc2ccc(Cl)cc2Cl)n1)NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000028567887	563069956	/nfs/dbraw/zinc/06/99/56/563069956.db2.gz	NWOFAIGNVNRPDV-OXJNMPFZSA-N	1	0	480.440	4.257	1	0		JIAFRO
Cc1cc(C2=[NH+]CC(C)(C)N2)cc2nc(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21	ZINC000028703709	563075068	/nfs/dbraw/zinc/07/50/68/563075068.db2.gz	IQSICYGTAPFFKF-FQEVSTJZSA-N	1	0	490.995	4.154	1	0		JIAFRO
COc1cccc(C(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)c1	ZINC000028714029	563077551	/nfs/dbraw/zinc/07/75/51/563077551.db2.gz	NRALRJRWWIVKMT-UHFFFAOYSA-N	1	0	496.055	4.137	1	0		JIAFRO
CCCC[NH2+][C@@H](C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1	ZINC000028827380	563083082	/nfs/dbraw/zinc/08/30/82/563083082.db2.gz	IYODMMGZTGSKGN-KSSFIOAISA-N	1	0	452.571	4.338	1	0		JIAFRO
COc1ccc(C)c(O[C@H](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1	ZINC000028875038	563084299	/nfs/dbraw/zinc/08/42/99/563084299.db2.gz	RFAIVSNIWWKITN-XMMPIXPASA-N	1	0	451.611	4.226	1	0		JIAFRO
C[NH+](C)C1CCN(C(=O)OC[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000028880309	563084728	/nfs/dbraw/zinc/08/47/28/563084728.db2.gz	OMLZOUCHAGNANH-OAQYLSRUSA-N	1	0	492.041	4.013	1	0		JIAFRO
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[NH2+]C[C@H](O)c3ccccc3)sc21	ZINC000028901283	563086175	/nfs/dbraw/zinc/08/61/75/563086175.db2.gz	RSGBQWPTYLNRRB-QFIPXVFZSA-N	1	0	482.005	4.007	1	0		JIAFRO
C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(S(=O)(=O)c2ccccc2)n1	ZINC000028963768	563089205	/nfs/dbraw/zinc/08/92/05/563089205.db2.gz	OBELHMUQLCDHGJ-UHFFFAOYSA-N	1	0	487.560	4.492	1	0		JIAFRO
C[NH+](C)Cc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1	ZINC000029047372	563092627	/nfs/dbraw/zinc/09/26/27/563092627.db2.gz	BGXUDHHWZOVVQE-AREMUKBSSA-N	1	0	464.516	4.252	1	0		JIAFRO
CC(=O)CCCCC[C@H](NC(=O)CC[NH+]1CCCCC1)C(=O)Nc1cnc2ccccc2c1	ZINC000029054827	563093452	/nfs/dbraw/zinc/09/34/52/563093452.db2.gz	ZKZMSGBLAWUJMG-DEOSSOPVSA-N	1	0	452.599	4.074	1	0		JIAFRO
Cc1cccc(Cl)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@@](O)(c3ccc(Cl)cc3)C2)CC1	ZINC000029126027	563095019	/nfs/dbraw/zinc/09/50/19/563095019.db2.gz	GACIWXWCIPVUAH-QFIPXVFZSA-N	1	0	469.434	4.048	1	0		JIAFRO
CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1nc2cc(O)ccc2[nH]1	ZINC000029134190	563097795	/nfs/dbraw/zinc/09/77/95/563097795.db2.gz	HVZSYGZBAZWSJI-UIIQVKDUSA-N	1	0	450.583	4.028	1	0		JIAFRO
O[C@@H](COc1ccccc1)C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1	ZINC000029563552	563107150	/nfs/dbraw/zinc/10/71/50/563107150.db2.gz	OYFRNQIVLIRDSN-XMMPIXPASA-N	1	0	456.590	4.401	1	0		JIAFRO
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1	ZINC000034804184	563116389	/nfs/dbraw/zinc/11/63/89/563116389.db2.gz	XTOQDJQEIMRZFK-FQEVSTJZSA-N	1	0	489.460	4.004	1	0		JIAFRO
[NH3+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21	ZINC000034805091	563116517	/nfs/dbraw/zinc/11/65/17/563116517.db2.gz	QEVNJCJWYHKUEO-UHFFFAOYSA-N	1	0	484.581	4.297	1	0		JIAFRO
Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(OCCC[NH+](C)C)cc2Cl)c(C)c1	ZINC000034817560	563116588	/nfs/dbraw/zinc/11/65/88/563116588.db2.gz	CNMYEWZVDOUQOP-UHFFFAOYSA-N	1	0	489.045	4.302	1	0		JIAFRO
O=C(NCCc1ccccn1)C1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000035833406	563120606	/nfs/dbraw/zinc/12/06/06/563120606.db2.gz	BKNLFUYWWCRDDZ-UHFFFAOYSA-N	1	0	456.512	4.462	1	0		JIAFRO
CCC(=O)CCCCC[C@H](NC(=O)C1C[NH+](C)C1)c1nc(-c2cc(OC)c3ccccc3n2)c[nH]1	ZINC000035953987	563121507	/nfs/dbraw/zinc/12/15/07/563121507.db2.gz	MPAWGBZPEYWJHS-QFIPXVFZSA-N	1	0	477.609	4.282	1	0		JIAFRO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(N)c(I)c3)cc1)[N@@H+]2C	ZINC000036271672	563125194	/nfs/dbraw/zinc/12/51/94/563125194.db2.gz	MFUUWFHGRHGRRX-NLEAXPPASA-N	1	0	476.358	4.280	1	0		JIAFRO
CCN1C(NCCc2ccc(Br)cc2)=[NH+][C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C	ZINC000036379134	563127359	/nfs/dbraw/zinc/12/73/59/563127359.db2.gz	VDJYKOOKOFMGBN-HBGVWJBISA-N	1	0	458.400	4.192	3	0		JIAFRO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)[N@@H+]1CCCC[C@@]21C(=O)OC	ZINC000036386512	563128807	/nfs/dbraw/zinc/12/88/07/563128807.db2.gz	UMXHBDCPIXBNJL-TZKYFUQOSA-N	1	0	496.991	4.089	3	0		JIAFRO
CC[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1	ZINC000038211827	563133325	/nfs/dbraw/zinc/13/33/25/563133325.db2.gz	RJYBDEJWDSFJHQ-NCAYHCJHSA-N	1	0	496.618	4.349	1	0		JIAFRO
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(C(=O)N[C@@H]4CC[NH2+]C4)c3)nnc2c1	ZINC000038269504	563133648	/nfs/dbraw/zinc/13/36/48/563133648.db2.gz	GFBCFNSBHPNIGR-JOCHJYFZSA-N	1	0	452.562	4.452	1	0		JIAFRO
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1ccc2ccccc2n1	ZINC000040423999	563142624	/nfs/dbraw/zinc/14/26/24/563142624.db2.gz	RWUXOGXQRRANQQ-UHFFFAOYSA-N	1	0	468.586	4.269	1	0		JIAFRO
NC(=O)c1ccc(F)c2c1C[C@@H]([N@H+](CC1CC1)C[C@H]1CCc3[nH]c4ccc(F)cc4c3C1)CO2	ZINC000040848689	563149716	/nfs/dbraw/zinc/14/97/16/563149716.db2.gz	RBRHSYULRVRCBX-FUHWJXTLSA-N	1	0	465.544	4.366	1	0		JIAFRO
NC(=O)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3c1cc(F)cc3F)C1CCC1)CO2	ZINC000040938831	563158613	/nfs/dbraw/zinc/15/86/13/563158613.db2.gz	WQPHROPLMJSADO-QGZVFWFLSA-N	1	0	457.496	4.475	1	0		JIAFRO
COc1ccc2cc3[n+](cc2c1OCCCOc1ccncc1)CCc1cc2c(cc1-3)OCO2	ZINC000040973289	563161509	/nfs/dbraw/zinc/16/15/09/563161509.db2.gz	VNWVNZXJHOYMIM-UHFFFAOYSA-N	1	0	457.506	4.331	1	0		JIAFRO
O=C(NCC[NH+]1CCCC1)N1CCCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1	ZINC000045166907	563172891	/nfs/dbraw/zinc/17/28/91/563172891.db2.gz	OLQAVVHZXZKLDL-UHFFFAOYSA-N	1	0	485.057	4.329	1	0		JIAFRO
O=C(NCCc1cccc(Cl)c1Cl)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000045167684	563173284	/nfs/dbraw/zinc/17/32/84/563173284.db2.gz	FQBVVXKGBNINML-UHFFFAOYSA-N	1	0	456.377	4.083	1	0		JIAFRO
[NH2+]=C1N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(Br)c2)C2=NCCCN12	ZINC000045245994	563181892	/nfs/dbraw/zinc/18/18/92/563181892.db2.gz	RNTPFGORJAAXJQ-GOSISDBHSA-N	1	0	453.262	4.024	1	0		JIAFRO
CCC[N@H+](CCN1CCN(c2ccc(O)c3ncccc23)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000045368745	563193459	/nfs/dbraw/zinc/19/34/59/563193459.db2.gz	PYPHZFKZPWVUSJ-QHCPKHFHSA-N	1	0	460.622	4.038	1	0		JIAFRO
O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000049037673	563199276	/nfs/dbraw/zinc/19/92/76/563199276.db2.gz	NQDCUSHIGOVWHZ-NRFANRHFSA-N	1	0	483.568	4.069	1	0		JIAFRO
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]C[C@H]1c1cccc(OC(F)(F)F)c1	ZINC000049045714	563199326	/nfs/dbraw/zinc/19/93/26/563199326.db2.gz	CTRQZHLDFMECBD-JKSUJKDBSA-N	1	0	451.832	4.022	1	0		JIAFRO
Brc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC[N@@H+](C3CCC3)CC2)cc1	ZINC000058576045	563207657	/nfs/dbraw/zinc/20/76/57/563207657.db2.gz	ZSCVGTSJQUZNJI-HSZRJFAPSA-N	1	0	481.442	4.134	1	0		JIAFRO
Cc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000058592909	563208343	/nfs/dbraw/zinc/20/83/43/563208343.db2.gz	VTXMFBVROQUZNI-UHFFFAOYSA-N	1	0	455.349	4.137	1	0		JIAFRO
CC(C)[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058651244	563208596	/nfs/dbraw/zinc/20/85/96/563208596.db2.gz	GWQQDXPHZADBHB-SFTDATJTSA-N	1	0	496.970	4.164	1	0		JIAFRO
C[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccc(OC(F)(F)F)cc1	ZINC000061905800	563210407	/nfs/dbraw/zinc/21/04/07/563210407.db2.gz	OKJNREWLJNNZTL-XMMPIXPASA-N	1	0	461.528	4.330	3	0		JIAFRO
COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1N1CC[NH+](C)CC1	ZINC000000602478	562918485	/nfs/dbraw/zinc/91/84/85/562918485.db2.gz	HMXSDCGHXDOQAO-UHFFFAOYSA-N	1	0	465.573	4.479	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(ccc6c5CCCC6)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000003808803	562928638	/nfs/dbraw/zinc/92/86/38/562928638.db2.gz	LZWGQEGAJVXMHU-UJLGHMMASA-N	1	0	468.597	4.451	1	0		JIAFRO
CCCN1c2ccccc2C([C@H]2CC(C)(C)CC[NH2+]2)=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O	ZINC000003952732	562930745	/nfs/dbraw/zinc/93/07/45/562930745.db2.gz	JNKWTCHATBWSQL-QPPBQGQZSA-N	1	0	461.610	4.467	1	0		JIAFRO
CCOC(=O)[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)C1	ZINC000004101450	562932385	/nfs/dbraw/zinc/93/23/85/562932385.db2.gz	BMSUXEZSTGFSIZ-HXUWFJFHSA-N	1	0	474.001	4.317	3	0		JIAFRO
CC[NH+](CC)CCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1	ZINC000008812955	562954938	/nfs/dbraw/zinc/95/49/38/562954938.db2.gz	WCMHNCDTWUKZIH-UHFFFAOYSA-N	1	0	486.682	4.248	3	0		JIAFRO
Cn1cc(C2=C(c3cn(CCCCSC(N)=[NH2+])c4ccccc34)C(=O)NC2=O)c2ccccc21	ZINC000013451600	562964847	/nfs/dbraw/zinc/96/48/47/562964847.db2.gz	JVSJCRIQHOQHFU-UHFFFAOYSA-N	1	0	471.586	4.107	1	0		JIAFRO
COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C(N)=O)cc54)[C@@H](C)C3)cc21	ZINC000013587199	562976877	/nfs/dbraw/zinc/97/68/77/562976877.db2.gz	MAOCCUAKRQNENS-KSZLIROESA-N	1	0	493.629	4.498	1	0		JIAFRO
C[NH+](C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1	ZINC000013671609	562982536	/nfs/dbraw/zinc/98/25/36/562982536.db2.gz	MCFYGOURGHBNOM-QPJJXVBHSA-N	1	0	473.318	4.034	1	0		JIAFRO
CCOCCCN1c2cc(-c3c(N)nc(N)[nH+]c3CC)ccc2O[C@@](C)(c2cc(F)cc(F)c2)C1=O	ZINC000014966497	563009265	/nfs/dbraw/zinc/00/92/65/563009265.db2.gz	IPXPSGDBCIRUBU-SANMLTNESA-N	1	0	497.546	4.216	1	0		JIAFRO
C[N@H+](CCO)C1CN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)C1	ZINC000022927787	563018009	/nfs/dbraw/zinc/01/80/09/563018009.db2.gz	WMRNTSMKBVMUTC-SANMLTNESA-N	1	0	490.475	4.052	1	0		JIAFRO
CC[C@]1(c2ccccc2)NC(=O)N(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O	ZINC000022932278	563018474	/nfs/dbraw/zinc/01/84/74/563018474.db2.gz	KHKHAYYBYAWAEH-SSEXGKCCSA-N	1	0	482.628	4.251	1	0		JIAFRO
CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)[NH3+])cc1	ZINC000026644198	563031686	/nfs/dbraw/zinc/03/16/86/563031686.db2.gz	GVJASXBHHDMPMT-HXUWFJFHSA-N	1	0	481.424	4.323	1	0		JIAFRO
COc1cccc(-c2c3n(c(=O)n(C[C@H]([NH3+])c4ccccc4)c2=O)[C@@H](c2ccccc2)CC3)c1F	ZINC000028128581	563057093	/nfs/dbraw/zinc/05/70/93/563057093.db2.gz	XBVPJDQBUFALDA-FCHUYYIVSA-N	1	0	471.532	4.060	1	0		JIAFRO
O=C1[C@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000028398283	563063942	/nfs/dbraw/zinc/06/39/42/563063942.db2.gz	NKYJLIWHMCZXIF-RRPNLBNLSA-N	1	0	493.673	4.180	1	0		JIAFRO
C[C@@H]1CN([C@H](c2ccc3c(c2)C[NH+](CC(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1	ZINC000028568834	563070145	/nfs/dbraw/zinc/07/01/45/563070145.db2.gz	GRRGEIIPSQHREY-DGIFUFQNSA-N	1	0	485.628	4.477	1	0		JIAFRO
O=C(N[C@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1	ZINC000028568986	563070207	/nfs/dbraw/zinc/07/02/07/563070207.db2.gz	UUJCILFUAUVCOT-VPUSJEBWSA-N	1	0	473.661	4.462	1	0		JIAFRO
Cc1cc(NCC[NH+](C)C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000028570725	563070782	/nfs/dbraw/zinc/07/07/82/563070782.db2.gz	LGMXSRRDGDVUCC-UHFFFAOYSA-N	1	0	462.472	4.433	1	0		JIAFRO
O=C(CCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccccc2F)CC1	ZINC000028647033	563073443	/nfs/dbraw/zinc/07/34/43/563073443.db2.gz	FTOFGDJLUOLPOE-UHFFFAOYSA-N	1	0	473.036	4.116	1	0		JIAFRO
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Cl	ZINC000028711968	563076690	/nfs/dbraw/zinc/07/66/90/563076690.db2.gz	AQYXKYFELDZAIQ-UHFFFAOYSA-N	1	0	487.391	4.400	1	0		JIAFRO
Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccccn4)n2C)CC3)no1	ZINC000028712468	563077031	/nfs/dbraw/zinc/07/70/31/563077031.db2.gz	PZBTVBSLNQDOCG-UHFFFAOYSA-N	1	0	460.607	4.424	1	0		JIAFRO
Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ocnc4C)n2C)CC3)n(C)n1	ZINC000028712502	563077077	/nfs/dbraw/zinc/07/70/77/563077077.db2.gz	RHHJVFYYCJWYII-UHFFFAOYSA-N	1	0	477.638	4.070	1	0		JIAFRO
C[C@@H]1C[NH2+]CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1	ZINC000028817202	563079754	/nfs/dbraw/zinc/07/97/54/563079754.db2.gz	ZVGNUEJXGIEGLJ-LJQANCHMSA-N	1	0	484.583	4.051	1	0		JIAFRO
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)[NH+]2CCCC2)s1	ZINC000028827409	563083072	/nfs/dbraw/zinc/08/30/72/563083072.db2.gz	LNWFRQFAJKYOTN-KSSFIOAISA-N	1	0	450.555	4.044	1	0		JIAFRO
CC1([NH3+])CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1	ZINC000028903121	563086376	/nfs/dbraw/zinc/08/63/76/563086376.db2.gz	XBSPHUIHEWDMHZ-UHFFFAOYSA-N	1	0	484.583	4.323	1	0		JIAFRO
CC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])C(C)C)CC1	ZINC000029041138	563091554	/nfs/dbraw/zinc/09/15/54/563091554.db2.gz	GTBDPLQUZHAUNN-NPAAKHOSSA-N	1	0	497.083	4.357	1	0		JIAFRO
C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)[C@H]2C(=O)NC(=O)[C@@H]2c2cn(c3ccccc23)CCO1	ZINC000029061549	563094005	/nfs/dbraw/zinc/09/40/05/563094005.db2.gz	DRIXYLZMWNQAEJ-FMLDBKJISA-N	1	0	470.573	4.311	1	0		JIAFRO
CCc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2ocnc2C)n1C)CC3	ZINC000029126761	563095233	/nfs/dbraw/zinc/09/52/33/563095233.db2.gz	UALAMQRWRIVLLQ-UHFFFAOYSA-N	1	0	452.584	4.065	1	0		JIAFRO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1ccc(C(C)(C)C)cc1)CC2	ZINC000029316950	563100068	/nfs/dbraw/zinc/10/00/68/563100068.db2.gz	MEKFOLBOAPXOCE-UHFFFAOYSA-N	1	0	452.639	4.493	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH+]2CCCC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000029416632	563103746	/nfs/dbraw/zinc/10/37/46/563103746.db2.gz	XGOLKEZBXQBZSX-WZFMIUBLSA-N	1	0	462.974	4.244	1	0		JIAFRO
COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C(=O)N(C)CC[NH+](C)C)cc1)c1ccccc1	ZINC000034313819	563113165	/nfs/dbraw/zinc/11/31/65/563113165.db2.gz	WIXHYLINPBKNTE-QPLCGJKRSA-N	1	0	498.583	4.039	1	0		JIAFRO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c12	ZINC000034947960	563117698	/nfs/dbraw/zinc/11/76/98/563117698.db2.gz	OCCNZLFPVFTRRK-UHFFFAOYSA-N	1	0	488.975	4.139	1	0		JIAFRO
CC[NH+](CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Br)cc1	ZINC000035033975	563118387	/nfs/dbraw/zinc/11/83/87/563118387.db2.gz	PPPJYXZGMAMIBK-QHCPKHFHSA-N	1	0	461.400	4.282	1	0		JIAFRO
CC[NH+](CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Br)cc1	ZINC000035033977	563118427	/nfs/dbraw/zinc/11/84/27/563118427.db2.gz	PPPJYXZGMAMIBK-HSZRJFAPSA-N	1	0	461.400	4.282	1	0		JIAFRO
CNC(=O)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1	ZINC000036127112	563122635	/nfs/dbraw/zinc/12/26/35/563122635.db2.gz	DXBNAKUXYONQGJ-UHFFFAOYSA-N	1	0	472.524	4.223	1	0		JIAFRO
CCNC(=O)c1cc2c(nc(N)nc2-c2cc(OCCC[NH+](C)C)c(Cl)cc2Cl)s1	ZINC000037246117	563130840	/nfs/dbraw/zinc/13/08/40/563130840.db2.gz	RGDGKLFZAZUSJF-UHFFFAOYSA-N	1	0	468.410	4.328	1	0		JIAFRO
C[NH2+]CCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1	ZINC000038577505	563135141	/nfs/dbraw/zinc/13/51/41/563135141.db2.gz	XDSPMYBIHWLNQD-UHFFFAOYSA-N	1	0	489.239	4.133	1	0		JIAFRO
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCC[NH+]1CCCCC1	ZINC000040393094	563138322	/nfs/dbraw/zinc/13/83/22/563138322.db2.gz	BQGLDSZPKUBDDR-UHFFFAOYSA-N	1	0	481.000	4.251	1	0		JIAFRO
CC[NH+](CC)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc43)c2c1	ZINC000040412722	563140965	/nfs/dbraw/zinc/14/09/65/563140965.db2.gz	NRQVHXNSSQTDNI-UHFFFAOYSA-N	1	0	450.564	4.097	1	0		JIAFRO
COc1ccc2[nH]cc(CCC[N@H+](C3CCC3)[C@@H]3COc4c(F)ccc(C(N)=O)c4C3)c2c1	ZINC000040413647	563141190	/nfs/dbraw/zinc/14/11/90/563141190.db2.gz	WNAOOYIEDUVWJW-SFHVURJKSA-N	1	0	451.542	4.205	1	0	in-vitro	JIAFRO
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1ccc2occc2c1	ZINC000040424011	563142620	/nfs/dbraw/zinc/14/26/20/563142620.db2.gz	UUOJVPAJTHTHFQ-UHFFFAOYSA-N	1	0	457.559	4.467	1	0		JIAFRO
NC(=O)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3c1cc(F)cc3F)C1CCC1)CO2	ZINC000040938829	563158618	/nfs/dbraw/zinc/15/86/18/563158618.db2.gz	WQPHROPLMJSADO-KRWDZBQOSA-N	1	0	457.496	4.475	1	0		JIAFRO
Cc1ccccc1[C@@H]1CC(=O)N(CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O	ZINC000040949274	563159123	/nfs/dbraw/zinc/15/91/23/563159123.db2.gz	YZPPUYQRFYFRIJ-QFIPXVFZSA-N	1	0	459.512	4.069	1	0		JIAFRO
C[C@H]([NH2+]Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C	ZINC000040954397	563160416	/nfs/dbraw/zinc/16/04/16/563160416.db2.gz	MUAICZWSFWUFNA-INIZCTEOSA-N	1	0	494.665	5.035	1	0		JIAFRO
CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C1	ZINC000040954575	563160544	/nfs/dbraw/zinc/16/05/44/563160544.db2.gz	LMJUMWUXZFVMGC-XCJLJZCSSA-N	1	0	496.492	4.275	1	0		JIAFRO
NC(=O)C1CC[NH+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)CC1	ZINC000040975958	563162054	/nfs/dbraw/zinc/16/20/54/563162054.db2.gz	CDYYTBCHMDFDIN-UHFFFAOYSA-N	1	0	473.552	4.193	1	0		JIAFRO
COc1ccc2c3c(n4c2c1CCC4)[C@@H]1Oc2c4c(ccc2O)C[C@H]2[N@@H+](CC5CC5)CC[C@]41[C@@]2(O)C3	ZINC000042888127	563163373	/nfs/dbraw/zinc/16/33/73/563163373.db2.gz	CJUGQHCPVJOLST-UJLGHMMASA-N	1	0	484.596	4.001	1	0		JIAFRO
O=C(Cc1cccc2ccccc21)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1	ZINC000043021009	563164997	/nfs/dbraw/zinc/16/49/97/563164997.db2.gz	IPYPCQMHTBQKKH-SANMLTNESA-N	1	0	470.569	4.299	1	0		JIAFRO
O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(C[NH2+]Cc3ccccc3Cl)c1)ccc2[O-]	ZINC000043171430	563168154	/nfs/dbraw/zinc/16/81/54/563168154.db2.gz	PVJNMWAQIUNUKH-QFIPXVFZSA-N	1	0	484.021	4.104	1	0		JIAFRO
CN1CCC([NH2+]Cc2cccc(-c3ccc(S(=O)(=O)NCc4ccccc4)c(F)c3)c2)CC1	ZINC000045167529	563173194	/nfs/dbraw/zinc/17/31/94/563173194.db2.gz	ZYACJRJOWARQPI-UHFFFAOYSA-N	1	0	467.610	4.155	1	0		JIAFRO
COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC([NH+](C)C)CC1	ZINC000045188070	563174696	/nfs/dbraw/zinc/17/46/96/563174696.db2.gz	OTWFRACFVFXVQF-DHZHZOJOSA-N	1	0	458.002	4.405	1	0		JIAFRO
c1sc(-c2nc3ccccc3[nH]2)cc1-c1cccc(C[NH+]2CCN(CCN3CCOCC3)CC2)c1	ZINC000045188849	563175084	/nfs/dbraw/zinc/17/50/84/563175084.db2.gz	WDDNBIQZEFIYEV-UHFFFAOYSA-N	1	0	487.673	4.408	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1	ZINC000045190265	563175551	/nfs/dbraw/zinc/17/55/51/563175551.db2.gz	GMUSLHXAYQNIME-UHFFFAOYSA-N	1	0	468.536	4.289	1	0		JIAFRO
CC(C)(CNC(=O)[C@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1	ZINC000045228858	563180560	/nfs/dbraw/zinc/18/05/60/563180560.db2.gz	RTXIGAYXHFNRSZ-GOSISDBHSA-N	1	0	453.974	4.034	1	0		JIAFRO
COc1cccc([C@]2(C)CC[N@H+](C[C@@H](NC(=O)[C@H]3Cc4ccc(O)cc4CN3C)C(C)C)C[C@@H]2C)c1	ZINC000045284165	563183600	/nfs/dbraw/zinc/18/36/00/563183600.db2.gz	HDFZSPOXCKZBCR-XNCYAKTISA-N	1	0	493.692	4.198	1	0		JIAFRO
CC(C)(CNC(=O)[C@@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1	ZINC000045302835	563186841	/nfs/dbraw/zinc/18/68/41/563186841.db2.gz	RTXIGAYXHFNRSZ-SFHVURJKSA-N	1	0	453.974	4.034	1	0		JIAFRO
c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(CCN6CCOCC6)CC5)c4)cc3)nc2c1	ZINC000045324280	563189120	/nfs/dbraw/zinc/18/91/20/563189120.db2.gz	GAVAWNILFSMCAU-UHFFFAOYSA-N	1	0	481.644	4.347	1	0		JIAFRO
Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc(-n3cnnn3)c2)c1	ZINC000045354934	563192217	/nfs/dbraw/zinc/19/22/17/563192217.db2.gz	CGBDCJHJBMPOAL-UHFFFAOYSA-N	1	0	452.562	4.032	1	0		JIAFRO
Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)cc32)[nH]1	ZINC000045366260	563193024	/nfs/dbraw/zinc/19/30/24/563193024.db2.gz	OAOIBNCLBKKVQA-JLPGSUDCSA-N	1	0	469.589	4.124	1	0		JIAFRO
CC(C)C[NH+]1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1	ZINC000045368475	563193417	/nfs/dbraw/zinc/19/34/17/563193417.db2.gz	DQJWNJYOPPRRGH-UHFFFAOYSA-N	1	0	479.383	4.078	1	0		JIAFRO
C[N@@H+]1CCC[C@@H]1CCNc1ncc(C(=O)NCc2ccccc2)c(NCC2CCCCC2)n1	ZINC000045373384	563193934	/nfs/dbraw/zinc/19/39/34/563193934.db2.gz	SBTJQWQTXADZAD-JOCHJYFZSA-N	1	0	450.631	4.295	1	0		JIAFRO
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2[nH]cnc2C)CC3)cc1	ZINC000049014400	563197113	/nfs/dbraw/zinc/19/71/13/563197113.db2.gz	APDFBNVDTYKUDI-UHFFFAOYSA-N	1	0	452.624	4.462	1	0		JIAFRO
Cc1c(C(=O)Nc2ccccc2)[n+](=O)c2cc(CN(C)C/C=C/c3ccccc3)ccc2n1O	ZINC000049807462	563204203	/nfs/dbraw/zinc/20/42/03/563204203.db2.gz	BWEFGGVHNIYTBF-FMIVXFBMSA-O	1	0	455.538	4.499	1	0		JIAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)C6CCCCC6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000049881439	563204569	/nfs/dbraw/zinc/20/45/69/563204569.db2.gz	NYRCIIHWRYMOAU-DLFRJSDOSA-N	1	0	486.741	4.454	1	0		JIAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)c6ccccc6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000049881602	563204592	/nfs/dbraw/zinc/20/45/92/563204592.db2.gz	IORYAHHDJLLPOB-DLFRJSDOSA-N	1	0	480.693	4.187	1	0		JIAFRO
Cc1nn(C)c(Cl)c1CN1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1	ZINC000055054609	563205969	/nfs/dbraw/zinc/20/59/69/563205969.db2.gz	XTRXXWWQVXNDNZ-UHFFFAOYSA-N	1	0	482.028	4.215	1	0		JIAFRO
OC[C@@]1(CCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)[C@@H]1O	ZINC000058534991	563206952	/nfs/dbraw/zinc/20/69/52/563206952.db2.gz	SKIDMCPEQHYTLO-UHSDMLCYSA-N	1	0	489.656	4.204	1	0		JIAFRO
C[NH+]1CCC(Nc2cccc(S(=O)(=O)Nc3c(F)cc(F)cc3Br)c2)CC1	ZINC000058603693	563208418	/nfs/dbraw/zinc/20/84/18/563208418.db2.gz	GLMVAEKYASZBNC-UHFFFAOYSA-N	1	0	460.344	4.034	1	0		JIAFRO
Cc1ccc(C(=O)NCC2CCN(C(N)=[NH2+])CC2)cc1OCCc1ccc(Cl)cc1Cl	ZINC000000595117	562918277	/nfs/dbraw/zinc/91/82/77/562918277.db2.gz	ZIIZEJMMSHEFJI-UHFFFAOYSA-N	1	0	463.409	4.259	1	0		JIAFRO
O=c1cc(CO)oc2cc(OCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)ccc12	ZINC000002007426	562924446	/nfs/dbraw/zinc/92/44/46/562924446.db2.gz	RHEDVRGGTUGTPR-UHFFFAOYSA-N	1	0	452.482	4.214	1	0		JIAFRO
CC(C)n1c2ccccc2n(C(=O)NC2CC[NH+](CCCOc3ccc(F)cc3)CC2)c1=O	ZINC000003940806	562930300	/nfs/dbraw/zinc/93/03/00/562930300.db2.gz	CAVOGSPUIYUFAC-UHFFFAOYSA-N	1	0	454.546	4.014	1	0		JIAFRO
Cc1cc(C(=O)N2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c(C)o1	ZINC000011910264	562957855	/nfs/dbraw/zinc/95/78/55/562957855.db2.gz	IVZSPHYCRSUJNN-UHFFFAOYSA-N	1	0	461.562	4.370	1	0		JIAFRO
O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCC[C@@H](CCCO)C1	ZINC000012074457	562959049	/nfs/dbraw/zinc/95/90/49/562959049.db2.gz	KFXNVKGDCISRGP-DEOSSOPVSA-N	1	0	450.623	4.397	3	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(Br)cc2)CC1	ZINC000013526268	562971541	/nfs/dbraw/zinc/97/15/41/562971541.db2.gz	FXZOIJYOTNRPAT-JLHYYAGUSA-N	1	0	472.427	4.190	1	0		JIAFRO
COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2SC)cc1	ZINC000013534868	562972606	/nfs/dbraw/zinc/97/26/06/562972606.db2.gz	DMFNVYAGVDTFIU-XMMPIXPASA-N	1	0	469.651	4.125	1	0		JIAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2cc(Nc3ccccc3Br)ncn2)cc1	ZINC000013537882	562972837	/nfs/dbraw/zinc/97/28/37/562972837.db2.gz	QDQHFTSJJASKSA-INIZCTEOSA-N	1	0	458.360	4.028	1	0		JIAFRO
O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000013839376	563001557	/nfs/dbraw/zinc/00/15/57/563001557.db2.gz	JAKRVNFVZSOYIR-UHFFFAOYSA-N	1	0	474.992	4.018	1	0		JIAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21	ZINC000013863016	563003278	/nfs/dbraw/zinc/00/32/78/563003278.db2.gz	HKSUNNWTUBMNAB-GHTZIAJQSA-N	1	0	473.598	4.089	1	0		JIAFRO
Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCSc3ncnc4[nH]cnc43)CC2)cc1	ZINC000022442968	563016871	/nfs/dbraw/zinc/01/68/71/563016871.db2.gz	FIKUUKZURPKAKN-UHFFFAOYSA-N	1	0	480.588	4.472	1	0		JIAFRO
COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(Cl)cc1F	ZINC000022925289	563017518	/nfs/dbraw/zinc/01/75/18/563017518.db2.gz	LSHMOEOLVFEUHJ-UHFFFAOYSA-N	1	0	459.953	4.191	1	0		JIAFRO
C[NH+]1CCN(CCCOc2ccc3c(c2)nccc3-c2c3n(nc2-c2ccccn2)CCC3)CC1	ZINC000023360652	563020124	/nfs/dbraw/zinc/02/01/24/563020124.db2.gz	XUNIUWPTUZPEDT-UHFFFAOYSA-N	1	0	468.605	4.123	1	0		JIAFRO
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[NH2+]CCOc1ccc(C=C3SC(=O)NC3=O)cc1)O2	ZINC000025966191	563020634	/nfs/dbraw/zinc/02/06/34/563020634.db2.gz	REZLHJHWHCIPJL-GXKYMGBSSA-N	1	0	482.602	4.394	1	0		JIAFRO
CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)C[C@H]1COc2cccc(OC)c2C1	ZINC000026015484	563021851	/nfs/dbraw/zinc/02/18/51/563021851.db2.gz	PXTNZNWAFOHMBS-NRFANRHFSA-N	1	0	456.627	4.448	1	0		JIAFRO
O=C(/C=C/c1cncc(O)c1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000027705445	563049526	/nfs/dbraw/zinc/04/95/26/563049526.db2.gz	KGTHWYDXXDPWIF-BUHFOSPRSA-N	1	0	470.617	4.104	1	0		JIAFRO
NC(=[NH2+])SCCCn1cc(C2=C(c3cccc4ccccc43)C(=O)NC2=O)c2ccccc21	ZINC000027765780	563051539	/nfs/dbraw/zinc/05/15/39/563051539.db2.gz	OPQUGNXQOSDRMT-UHFFFAOYSA-N	1	0	454.555	4.378	1	0		JIAFRO
[NH3+][C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1F)CS2)c1ccccc1	ZINC000028121818	563056870	/nfs/dbraw/zinc/05/68/70/563056870.db2.gz	WVAOLSBXBIROBU-FCHUYYIVSA-N	1	0	477.536	4.350	1	0		JIAFRO
CC(C)[NH2+]CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C	ZINC000028132427	563057412	/nfs/dbraw/zinc/05/74/12/563057412.db2.gz	UICMGYPFRIZNED-DEOSSOPVSA-N	1	0	467.610	4.214	1	0		JIAFRO
[NH2+]=C(c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1	ZINC000028234149	563058377	/nfs/dbraw/zinc/05/83/77/563058377.db2.gz	MTYNQJDXFWWIDO-UHFFFAOYSA-N	1	0	461.476	4.157	1	0		JIAFRO
O=c1[nH]c(NCCC[NH2+][C@H]2CCNc3c(Cl)cc(Br)cc32)nc2ccsc21	ZINC000028337810	563060113	/nfs/dbraw/zinc/06/01/13/563060113.db2.gz	BXSUPZKLHBAGFU-ZDUSSCGKSA-N	1	0	468.808	4.349	1	0		JIAFRO
O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2ccccc21	ZINC000028367015	563062031	/nfs/dbraw/zinc/06/20/31/563062031.db2.gz	RPJDZINHBYUYQN-UHFFFAOYSA-N	1	0	466.177	4.040	1	0		JIAFRO
CC(C)C[C@H]([NH3+])C(=O)NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000028456719	563064195	/nfs/dbraw/zinc/06/41/95/563064195.db2.gz	UUYQRFUJCWIBQP-VWLOTQADSA-N	1	0	471.592	4.358	1	0		JIAFRO
CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C[NH2+]CCc4ccccc4)ccc3OC(C)(C)[C@H]2O)cc1	ZINC000028706857	563075654	/nfs/dbraw/zinc/07/56/54/563075654.db2.gz	RRFYNWHHWWURDL-SXOMAYOGSA-N	1	0	494.657	4.133	1	0		JIAFRO
CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1	ZINC000028825781	563082264	/nfs/dbraw/zinc/08/22/64/563082264.db2.gz	MYQIMBGCKYJSRP-AZGAKELHSA-N	1	0	497.083	4.268	1	0		JIAFRO
CN(CCc1ccccc1)C(=O)C1(c2ccccc2)CC[NH+](CCN2c3ccccc3OCC2=O)CC1	ZINC000028826473	563082534	/nfs/dbraw/zinc/08/25/34/563082534.db2.gz	LDGQXFYTLVIEGL-UHFFFAOYSA-N	1	0	497.639	4.147	1	0		JIAFRO
COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CCO)c3=O)CC2)C(C)C)c1	ZINC000028874835	563084301	/nfs/dbraw/zinc/08/43/01/563084301.db2.gz	HMGPFWIOSDLAJS-SANMLTNESA-N	1	0	481.637	4.243	1	0		JIAFRO
COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CCO)c3=O)CC2)C(C)C)c1	ZINC000028874840	563084337	/nfs/dbraw/zinc/08/43/37/563084337.db2.gz	HMGPFWIOSDLAJS-AREMUKBSSA-N	1	0	481.637	4.243	1	0		JIAFRO
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C[N@H+](C)[C@@H]1C2	ZINC000028950370	563087010	/nfs/dbraw/zinc/08/70/10/563087010.db2.gz	OLESECYJSQJLTK-YOSAUDMPSA-N	1	0	487.566	4.098	1	0		JIAFRO
O=C(N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccno1	ZINC000029038716	563090892	/nfs/dbraw/zinc/09/08/92/563090892.db2.gz	LHFRREYTABIJEO-QFIPXVFZSA-N	1	0	473.602	4.066	1	0		JIAFRO
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\[C@@H]1CCC[n+]2c3ccccc3sc21	ZINC000029214733	563098714	/nfs/dbraw/zinc/09/87/14/563098714.db2.gz	VWYGDGWNCMOOCP-WMEXJLOHSA-N	1	0	478.688	4.098	1	0		JIAFRO
COc1ccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2/C=C/c2cc(C)no2)cc1OC	ZINC000029231080	563099050	/nfs/dbraw/zinc/09/90/50/563099050.db2.gz	AYGMDMLHZRHNBE-YFAYCFMXSA-N	1	0	452.551	4.131	1	0		JIAFRO
Brc1cccc(Nc2ncnc3cc4c(cnn4CCC[NH+]4CCOCC4)cc32)c1	ZINC000029323906	563100346	/nfs/dbraw/zinc/10/03/46/563100346.db2.gz	JZIOODYWXRIKDF-UHFFFAOYSA-N	1	0	467.371	4.208	1	0		JIAFRO
CC(C)NC(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5nc[nH]c54)CC3)CC2)cc1	ZINC000029481648	563105326	/nfs/dbraw/zinc/10/53/26/563105326.db2.gz	SJAZZRHNMWEHRA-UHFFFAOYSA-N	1	0	487.648	4.260	1	0		JIAFRO
O=C1CNC(=O)N1CCCCCC[N@@H+]1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@@H]2C1	ZINC000029549723	563106199	/nfs/dbraw/zinc/10/61/99/563106199.db2.gz	VGQADOOVESUGBM-ZJSXRUAMSA-N	1	0	468.548	4.387	1	0		JIAFRO
COc1cc(NCCCCCC[NH+]2CCN(C(=O)N3CCCC3)CC2)c2nccc(C)c2c1	ZINC000029564706	563107297	/nfs/dbraw/zinc/10/72/97/563107297.db2.gz	QXDOPKJJUPTYPY-UHFFFAOYSA-N	1	0	453.631	4.358	1	0		JIAFRO
C[C@@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)[NH2+]1	ZINC000034849919	563116942	/nfs/dbraw/zinc/11/69/42/563116942.db2.gz	JDOLWIHTMQMIEA-OYRHEFFESA-N	1	0	466.645	4.389	1	0		JIAFRO
C[NH+](C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc54)nc(N4CCOCC4)c3s2)CC1	ZINC000038227398	563133416	/nfs/dbraw/zinc/13/34/16/563133416.db2.gz	FUFSMSPXQAGYLS-UHFFFAOYSA-N	1	0	476.650	4.202	1	0		JIAFRO
Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CC[C@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1	ZINC000040895845	563153903	/nfs/dbraw/zinc/15/39/03/563153903.db2.gz	JMJZSLIIHVSDBK-SANMLTNESA-N	1	0	459.634	4.421	1	0		JIAFRO
COCCCN(Cc1ccccc1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1)C(=O)Cc1ccccc1	ZINC000040915461	563155444	/nfs/dbraw/zinc/15/54/44/563155444.db2.gz	XIMCNBZXXDFXEO-UHFFFAOYSA-N	1	0	485.628	4.007	1	0		JIAFRO
CCC[N@H+](Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040915655	563155572	/nfs/dbraw/zinc/15/55/72/563155572.db2.gz	GVOOWHRYAVMNOF-NRFANRHFSA-N	1	0	465.342	4.119	1	0		JIAFRO
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CC[NH+](C(C)C)CC1	ZINC000040933991	563157181	/nfs/dbraw/zinc/15/71/81/563157181.db2.gz	IXSYNEFEQWKVEX-UHFFFAOYSA-N	1	0	469.536	4.285	1	0		JIAFRO
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CC[NH+](C2CC2)CC1	ZINC000040935274	563157629	/nfs/dbraw/zinc/15/76/29/563157629.db2.gz	YTZHTNOYQFRADU-HHHXNRCGSA-N	1	0	467.560	4.230	1	0		JIAFRO
O=c1ccc(-n2ccc3ccccc32)nn1CCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000040973733	563161579	/nfs/dbraw/zinc/16/15/79/563161579.db2.gz	ZANLGXZGAMMUEY-UHFFFAOYSA-N	1	0	461.997	4.443	1	0		JIAFRO
NC(=[NH2+])Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1	ZINC000043195724	563168325	/nfs/dbraw/zinc/16/83/25/563168325.db2.gz	NTBCKEBLAKIMOW-UHFFFAOYSA-N	1	0	471.392	4.455	1	0		JIAFRO
C[NH2+][C@@H]1[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)C[C@@H]1OC	ZINC000044361795	563172241	/nfs/dbraw/zinc/17/22/41/563172241.db2.gz	VPLNNEMLBWLRFQ-BQZCUTETSA-N	1	0	491.713	4.472	1	0		JIAFRO
COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1cccc(S(=O)(=O)NCc2ccccc2)c1	ZINC000045193784	563176762	/nfs/dbraw/zinc/17/67/62/563176762.db2.gz	FVYRLJBZCMSMDN-UHFFFAOYSA-N	1	0	479.646	4.025	1	0		JIAFRO
O=C(N[C@H]1CCN(CCc2ccc(O[C@H]3CC[NH2+]C3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1	ZINC000045201603	563178389	/nfs/dbraw/zinc/17/83/89/563178389.db2.gz	CTZCHXJEGOZPSW-ROUUACIJSA-N	1	0	482.839	4.434	1	0		JIAFRO
O[C@H](COc1ccccc1-c1nc2ccccc2o1)CN1CCC[N@H+](CCc2ccccc2)CC1	ZINC000045226829	563179766	/nfs/dbraw/zinc/17/97/66/563179766.db2.gz	SLDFMVOGHMBAAX-DEOSSOPVSA-N	1	0	471.601	4.485	1	0		JIAFRO
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[NH+]1CCC(O)CC1	ZINC000045252925	563181982	/nfs/dbraw/zinc/18/19/82/563181982.db2.gz	AMNMOWAGJOKXAY-UHFFFAOYSA-N	1	0	469.973	4.220	1	0		JIAFRO
O=C(NCC[NH+]1CCCCC1)N1CCCN(c2ncnc3cc(-c4ccccc4)sc32)CC1	ZINC000045315055	563187338	/nfs/dbraw/zinc/18/73/38/563187338.db2.gz	RXUDNOCUZUCOGS-UHFFFAOYSA-N	1	0	464.639	4.066	1	0		JIAFRO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc32)cs1)C(C)(C)C	ZINC000049072153	563201475	/nfs/dbraw/zinc/20/14/75/563201475.db2.gz	UFYBRZNLJSOXHH-WQTXXOFMSA-N	1	0	479.650	4.161	1	0		JIAFRO
Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc4cccnc43)CC2)cc(-c2ccccc2)n1C	ZINC000058568468	563207447	/nfs/dbraw/zinc/20/74/47/563207447.db2.gz	HSGTXFOSGPTDRB-UHFFFAOYSA-N	1	0	467.617	4.491	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000058581231	563207745	/nfs/dbraw/zinc/20/77/45/563207745.db2.gz	NADZGFHXOOQKNN-UHFFFAOYSA-N	1	0	467.635	4.119	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)cn2cc1-c1ccccc1Cl	ZINC000058592620	563208255	/nfs/dbraw/zinc/20/82/55/563208255.db2.gz	UNLSEELNICLYTN-UHFFFAOYSA-N	1	0	485.028	4.201	1	0		JIAFRO
COc1cc(CNC(=O)Nc2nc([C@@H]([NH3+])Cc3ccc(Cl)cc3)cs2)cc(OC)c1OC	ZINC000061907829	563210712	/nfs/dbraw/zinc/21/07/12/563210712.db2.gz	JXGLPSJPWFLICW-INIZCTEOSA-N	1	0	476.986	4.387	3	0		JIAFRO
COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2Nc1c2c(ccc1Cl)OCO2	ZINC000000594148	562918211	/nfs/dbraw/zinc/91/82/11/562918211.db2.gz	UYKYCBACTCRLLP-UHFFFAOYSA-N	1	0	456.930	4.485	1	0		JIAFRO
CCOC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@@H]1c1ccc(OC)cc1	ZINC000000604043	562918627	/nfs/dbraw/zinc/91/86/27/562918627.db2.gz	LCNLJVWYYVXGMI-LEWJYISDSA-N	1	0	462.543	4.118	1	0		JIAFRO
CC(C)COC(=O)CNC(=O)[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1	ZINC000003782365	562927829	/nfs/dbraw/zinc/92/78/29/562927829.db2.gz	MQZOZIODQPLFRF-VNZAXJPBSA-N	1	0	480.649	4.166	1	0		JIAFRO
NC(=[NH2+])c1cccc(-c2ccccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1	ZINC000003815587	562928876	/nfs/dbraw/zinc/92/88/76/562928876.db2.gz	PBSYGEULOOMNDK-UHFFFAOYSA-N	1	0	470.554	4.204	1	0		JIAFRO
Cc1cccc(C(=O)N2CCC([NH+]3CCC(Cc4ccc(S(=O)(=O)C(C)C)cc4)CC3)CC2)c1N	ZINC000013440379	562963000	/nfs/dbraw/zinc/96/30/00/562963000.db2.gz	VUJDEKSBOVBNCV-UHFFFAOYSA-N	1	0	497.705	4.319	1	0		JIAFRO
Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CC[NH+](C)CC5)c4c3)CC2)c(C)c1	ZINC000013606646	562978820	/nfs/dbraw/zinc/97/88/20/562978820.db2.gz	CPPNLMBHDVESPV-UHFFFAOYSA-N	1	0	486.660	4.244	1	0		JIAFRO
CCOC(=O)n1c2ccccc2c(=O)n1CCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013738132	562986382	/nfs/dbraw/zinc/98/63/82/562986382.db2.gz	FWRZTTGLYSGBCQ-UHFFFAOYSA-N	1	0	479.606	4.020	1	0		JIAFRO
[NH3+][C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1	ZINC000013779051	562991309	/nfs/dbraw/zinc/99/13/09/562991309.db2.gz	LJTKFVOSAVCILF-UKILVPOCSA-N	1	0	461.993	4.107	1	0	in-vitro	JIAFRO
CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)c1coc2ccc(C(N)=[NH2+])cc21	ZINC000014951088	563007202	/nfs/dbraw/zinc/00/72/02/563007202.db2.gz	ALQRDVOSAXNUHX-LSWJPFSZSA-N	1	0	461.562	4.281	1	0		JIAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(S(C)(=O)=O)cc1	ZINC000014970691	563009616	/nfs/dbraw/zinc/00/96/16/563009616.db2.gz	OJVARHYUTXXZJR-UHFFFAOYSA-N	1	0	498.612	4.339	1	0		JIAFRO
C[C@@H](C[NH+]1CCN(C[C@H](F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000022931023	563018426	/nfs/dbraw/zinc/01/84/26/563018426.db2.gz	VQZDZTOKSITKJO-WMZHIEFXSA-N	1	0	464.564	4.190	1	0		JIAFRO
O[C@H](COc1ccc2cccnc2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934084	563018676	/nfs/dbraw/zinc/01/86/76/563018676.db2.gz	HKYYWQRYCVLVFC-SANMLTNESA-N	1	0	453.586	4.382	1	0		JIAFRO
COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000026000214	563021285	/nfs/dbraw/zinc/02/12/85/563021285.db2.gz	SHIONCUNFVZZAI-YADHBBJMSA-N	1	0	460.467	4.055	1	0		JIAFRO
COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC	ZINC000026019785	563021952	/nfs/dbraw/zinc/02/19/52/563021952.db2.gz	FDVHRNJEBIWFEM-FQEVSTJZSA-N	1	0	479.602	4.394	1	0		JIAFRO
COc1ccc(OC[C@@H](O)C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccccc3)CC2)cc1	ZINC000026160718	563022805	/nfs/dbraw/zinc/02/28/05/563022805.db2.gz	JQOSVHLPEYZCRY-VWLOTQADSA-N	1	0	490.600	4.255	1	0		JIAFRO
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000026270303	563025077	/nfs/dbraw/zinc/02/50/77/563025077.db2.gz	GZVZFHVZVPWHDV-UHFFFAOYSA-N	1	0	468.601	4.084	1	0		JIAFRO
Cc1cc(-c2ccccc2)c2c(n1)[C@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000027107952	563040475	/nfs/dbraw/zinc/04/04/75/563040475.db2.gz	PGZYSMSBROYGAI-UDKDNODWSA-N	1	0	466.581	4.462	1	0		JIAFRO
O=C(CCc1cccnc1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000027649606	563048495	/nfs/dbraw/zinc/04/84/95/563048495.db2.gz	JFHVQGJIXVSWFD-UHFFFAOYSA-N	1	0	456.634	4.318	1	0		JIAFRO
CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C[NH3+])cc2)C(=O)N(C)C2CCCC2)cc1	ZINC000027849554	563051874	/nfs/dbraw/zinc/05/18/74/563051874.db2.gz	NRKFMCDLVLCHOU-VWLOTQADSA-N	1	0	485.694	4.124	1	0		JIAFRO
[NH3+][C@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1F)CS2)c1ccccc1	ZINC000028121821	563056873	/nfs/dbraw/zinc/05/68/73/563056873.db2.gz	WVAOLSBXBIROBU-FGZHOGPDSA-N	1	0	477.536	4.350	1	0		JIAFRO
CC/C=C/CNc1cccc([C@@H](O)C[NH2+][C@H](C)Cc2c[nH]c3c2cccc3OS(C)(=O)=O)c1	ZINC000028362348	563061891	/nfs/dbraw/zinc/06/18/91/563061891.db2.gz	JHCKCVANBRYNHF-AVIWDUSBSA-N	1	0	471.623	4.139	1	0		JIAFRO
COC(=O)c1ccc(C[n+]2ccc(CCC(=O)[C@@H]3Cc4cc(OC)c(OC)cc4S3)cc2)cc1	ZINC000028393382	563063670	/nfs/dbraw/zinc/06/36/70/563063670.db2.gz	ICEVKTXKGNOLEX-SANMLTNESA-N	1	0	478.590	4.045	1	0		JIAFRO
O=C(N[C@H]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1	ZINC000028568987	563070212	/nfs/dbraw/zinc/07/02/12/563070212.db2.gz	UUJCILFUAUVCOT-BDYUSTAISA-N	1	0	473.661	4.462	1	0		JIAFRO
Cc1cc(N2CC[NH2+][C@H](C)C2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000028570525	563070812	/nfs/dbraw/zinc/07/08/12/563070812.db2.gz	FAXPUHNSHUFZDY-MRXNPFEDSA-N	1	0	474.483	4.257	1	0		JIAFRO
Fc1cccc(COc2ccc(Nc3ncnn4ccc(COC[C@@H]5C[NH2+]CCO5)c34)cc2Cl)c1	ZINC000028901133	563086066	/nfs/dbraw/zinc/08/60/66/563086066.db2.gz	AXXNPLIUJGQSAQ-NRFANRHFSA-N	1	0	497.958	4.349	1	0		JIAFRO
CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3Cn3ccnc3)CC2)C1	ZINC000028959637	563088822	/nfs/dbraw/zinc/08/88/22/563088822.db2.gz	NCVYFHYIDHHRRL-IZZNHLLZSA-N	1	0	492.067	4.357	1	0		JIAFRO
NC(=O)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1	ZINC000029048741	563092699	/nfs/dbraw/zinc/09/26/99/563092699.db2.gz	JKJJCTIEZHWXNZ-ONUIUJJFSA-N	1	0	495.583	4.238	1	0		JIAFRO
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\[C@H]1CCC[n+]2c3ccccc3sc21	ZINC000029214738	563098666	/nfs/dbraw/zinc/09/86/66/563098666.db2.gz	VWYGDGWNCMOOCP-FFDOHOHFSA-N	1	0	478.688	4.098	1	0		JIAFRO
C[C@@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1	ZINC000034849918	563116904	/nfs/dbraw/zinc/11/69/04/563116904.db2.gz	HUZVCBYMIXTYBP-OYRHEFFESA-N	1	0	466.645	4.389	1	0		JIAFRO
CC[NH+](CC)CCOc1ccc(-c2cc(C(=O)Nc3cccnc3)c(NC(N)=O)s2)cc1	ZINC000035998412	563121790	/nfs/dbraw/zinc/12/17/90/563121790.db2.gz	BKJYSELXLJGLNW-UHFFFAOYSA-N	1	0	453.568	4.274	1	0		JIAFRO
Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](Cc2ccccc2)CC[C@]314	ZINC000036215809	563124240	/nfs/dbraw/zinc/12/42/40/563124240.db2.gz	DAPVKCQHHYNRTJ-HYJYBNJOSA-N	1	0	450.538	4.363	1	0		JIAFRO
C[C@H](NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)c2s1)c1ccccc1	ZINC000036473702	563130288	/nfs/dbraw/zinc/13/02/88/563130288.db2.gz	YTKKDDPGXMBSNV-KRWDZBQOSA-N	1	0	488.617	4.120	1	0		JIAFRO
Cc1ccc(C(=O)Nc2ccc(C[N@@H+](C)C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1	ZINC000038245822	563133502	/nfs/dbraw/zinc/13/35/02/563133502.db2.gz	KRPOQNQXWILNNL-MHZLTWQESA-N	1	0	491.542	4.137	1	0		JIAFRO
COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCC[NH+](C)C)cc2NC3=O)ccc1O	ZINC000038909738	563135718	/nfs/dbraw/zinc/13/57/18/563135718.db2.gz	VWACUNWBMWWMPJ-UHFFFAOYSA-N	1	0	460.534	4.059	1	0		JIAFRO
CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040379016	563137141	/nfs/dbraw/zinc/13/71/41/563137141.db2.gz	REQWQXWXJFMGGM-OAQYLSRUSA-N	1	0	465.342	4.117	1	0		JIAFRO
C[C@H](Nc1c(-c2c(F)cc(NCCC[NH+](C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000040576469	563146509	/nfs/dbraw/zinc/14/65/09/563146509.db2.gz	BTOPKWGLFKQGRD-JTQLQIEISA-N	1	0	477.869	4.449	1	0		JIAFRO
O=C(c1cc2cc(OC3CC[NH+](C4CCC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1	ZINC000040937276	563158230	/nfs/dbraw/zinc/15/82/30/563158230.db2.gz	JIICXUFVDPUSGH-UHFFFAOYSA-N	1	0	465.516	4.072	1	0		JIAFRO
C[C@@H]([NH2+]Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C	ZINC000040972343	563161298	/nfs/dbraw/zinc/16/12/98/563161298.db2.gz	MUAICZWSFWUFNA-MRXNPFEDSA-N	1	0	494.665	5.035	1	0		JIAFRO
O=C(C=C1CCN(C(=O)c2cccc(O)c2)CC1)N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1	ZINC000043009252	563163930	/nfs/dbraw/zinc/16/39/30/563163930.db2.gz	YOHNUIZUGOQKIN-AREMUKBSSA-N	1	0	487.575	4.238	1	0		JIAFRO
CCC[N@H+](CCN1CCN(C(=O)c2cc3ccccc3o2)CC1)[C@@H]1CCc2c(O)cccc2C1	ZINC000043011936	563164139	/nfs/dbraw/zinc/16/41/39/563164139.db2.gz	BEZQDVRSAHYQKR-HSZRJFAPSA-N	1	0	461.606	4.166	1	0		JIAFRO
COc1cccc2c1O[C@H](c1ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc1)[C@H](C)S2(=O)=O	ZINC000043018527	563164817	/nfs/dbraw/zinc/16/48/17/563164817.db2.gz	WTJRFDFYOQEAAP-JXQFQVJHSA-N	1	0	459.608	4.492	1	0		JIAFRO
CC[NH+]1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(Cl)cc32)CC1	ZINC000043176086	563168157	/nfs/dbraw/zinc/16/81/57/563168157.db2.gz	DIZUUMPJYCDOHV-UHFFFAOYSA-N	1	0	482.831	4.436	1	0		JIAFRO
COc1ccc2c(n1)n(-c1ccccc1)c(Oc1c(C)cccc1C)c2C(=O)N1CC[NH2+]CC1	ZINC000043206830	563168844	/nfs/dbraw/zinc/16/88/44/563168844.db2.gz	UTIAQHRNBZVNAX-UHFFFAOYSA-N	1	0	456.546	4.489	1	0		JIAFRO
COc1ccccc1CNC(=O)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000045201616	563178369	/nfs/dbraw/zinc/17/83/69/563178369.db2.gz	UQAUYOCAOWSRPX-UHFFFAOYSA-N	1	0	481.394	4.109	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1	ZINC000045202665	563178893	/nfs/dbraw/zinc/17/88/93/563178893.db2.gz	WOZAXQWRUJXNRT-UHFFFAOYSA-N	1	0	456.575	4.212	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)Cc4cc5ccccc5s4)CC3)c2c1	ZINC000045228538	563180413	/nfs/dbraw/zinc/18/04/13/563180413.db2.gz	XDUBUBPRCDICOC-VWLOTQADSA-N	1	0	475.614	4.315	1	0		JIAFRO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]CCCNS(C)(=O)=O)c4)s3)nc21	ZINC000045322175	563188432	/nfs/dbraw/zinc/18/84/32/563188432.db2.gz	HBQNWUNDQNLKGV-UHFFFAOYSA-N	1	0	454.621	4.296	1	0		JIAFRO
CN(C)c1ccc(CC[NH+]2CCC(Oc3ccc4[nH]c(=O)c5c(c4c3)CCSC5)CC2)cc1	ZINC000049055444	563200597	/nfs/dbraw/zinc/20/05/97/563200597.db2.gz	NWIRJPXLBDDVLL-UHFFFAOYSA-N	1	0	463.647	4.469	1	0		JIAFRO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2noc3ccccc32)cs1)C1CCCCC1	ZINC000049110140	563202198	/nfs/dbraw/zinc/20/21/98/563202198.db2.gz	YNQNHLWGHBFRFI-BUKVSMQUSA-N	1	0	495.649	4.288	1	0		JIAFRO
Cc1ccnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1	ZINC000049112692	563202520	/nfs/dbraw/zinc/20/25/20/563202520.db2.gz	IWRAPSCFSVGRAI-NXCFDTQHSA-N	1	0	474.649	4.140	1	0		JIAFRO
CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)Nc1ccccc1)C(=[NH2+])N2)C1CCCCC1	ZINC000049807214	563204181	/nfs/dbraw/zinc/20/41/81/563204181.db2.gz	YRCIXIVWTRGEHV-UHFFFAOYSA-N	1	0	477.609	4.037	1	0		JIAFRO
CN(C(=O)Nc1ccccc1Cl)c1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)ncn1	ZINC000053274910	563205479	/nfs/dbraw/zinc/20/54/79/563205479.db2.gz	YBDXBHLSQIYFMW-UHFFFAOYSA-N	1	0	451.962	4.294	1	0		JIAFRO
FC(F)(F)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC[N@@H+](C3CCC3)CC2)cc1	ZINC000058575742	563207629	/nfs/dbraw/zinc/20/76/29/563207629.db2.gz	QYKAETBOAVOBMF-HSZRJFAPSA-N	1	0	470.543	4.390	1	0		JIAFRO
c1ccn(-c2ccc([C@H](c3nnnn3Cc3ccccc3)N3CCC[N@@H+](C4CCC4)CC3)cc2)c1	ZINC000058590838	563208075	/nfs/dbraw/zinc/20/80/75/563208075.db2.gz	AZZFKRWUJYCGOR-HHHXNRCGSA-N	1	0	467.621	4.162	1	0		JIAFRO
COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CC[NH+](C)C)C(C)=O)cc1)c1ccccc1	ZINC000003936384	562930189	/nfs/dbraw/zinc/93/01/89/562930189.db2.gz	PWDPLHOKCYLVIC-RQZHXJHFSA-N	1	0	498.583	4.320	1	0		JIAFRO
Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(-c5ccccc5)cc4)CC3)O2)n(C)n1	ZINC000011996008	562958363	/nfs/dbraw/zinc/95/83/63/562958363.db2.gz	QRYAIDHPOPAKIS-VWLOTQADSA-N	1	0	458.606	4.339	1	0		JIAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@H]3CCC[N@@H+]3C)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000013450636	562964662	/nfs/dbraw/zinc/96/46/62/562964662.db2.gz	DMBNNPMTRSVDEP-LJFZDNNRSA-N	1	0	490.522	4.413	1	0		JIAFRO
Cn1cc(C2=C(c3cn(CCCCCSC(N)=[NH2+])c4ccccc34)C(=O)NC2=O)c2ccccc21	ZINC000013451604	562964830	/nfs/dbraw/zinc/96/48/30/562964830.db2.gz	HPYZDMGHSZUKPM-UHFFFAOYSA-N	1	0	485.613	4.497	1	0		JIAFRO
C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=[NH2+])NC2CC2)c1	ZINC000013487202	562967724	/nfs/dbraw/zinc/96/77/24/562967724.db2.gz	WUPWLVJTTBQDQG-LFVJCYFKSA-N	1	0	492.576	4.418	1	0		JIAFRO
CCc1ccc(-c2ccc(C(=O)N[C@@H]3CCCCN(CC(=O)Nc4cccc(C[NH3+])c4)C3=O)cc2)cc1	ZINC000013588673	562977773	/nfs/dbraw/zinc/97/77/73/562977773.db2.gz	DXEPZNUUUFFFTR-HHHXNRCGSA-N	1	0	498.627	4.124	1	0		JIAFRO
COc1cc(O)c([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c(OC)c1	ZINC000013661628	562982420	/nfs/dbraw/zinc/98/24/20/562982420.db2.gz	OUVGTTCEDAXVTN-QHCPKHFHSA-N	1	0	476.573	4.482	3	0		JIAFRO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000013671955	562982643	/nfs/dbraw/zinc/98/26/43/562982643.db2.gz	KXSHHMIQRGVCEY-UHFFFAOYSA-N	1	0	474.483	4.211	1	0		JIAFRO
Cc1cc(N2CCC([NH3+])CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000013671969	562982653	/nfs/dbraw/zinc/98/26/53/562982653.db2.gz	BEVTZBDUQNCQFB-UHFFFAOYSA-N	1	0	474.483	4.387	1	0		JIAFRO
Cc1cc(OCc2ccccc2)cc(C)c1C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1	ZINC000013735525	562985845	/nfs/dbraw/zinc/98/58/45/562985845.db2.gz	HHZRNSOFHQWYGW-QDPGVEIFSA-N	1	0	487.644	4.006	1	0		JIAFRO
COc1cc(F)ccc1N1CC[NH+](CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc32)CC1	ZINC000013764586	562990536	/nfs/dbraw/zinc/99/05/36/562990536.db2.gz	YLYLJPNJSUBEEA-UHFFFAOYSA-N	1	0	479.600	4.017	1	0		JIAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1	ZINC000013779661	562991532	/nfs/dbraw/zinc/99/15/32/562991532.db2.gz	GSFRIQFLKZOXIJ-RUZDIDTESA-N	1	0	464.654	4.010	1	0		JIAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@](CC)(c1cc(F)cc(F)c1)O2	ZINC000014966365	563009223	/nfs/dbraw/zinc/00/92/23/563009223.db2.gz	ICDYHYNUXPDZEQ-SANMLTNESA-N	1	0	497.546	4.216	1	0		JIAFRO
Brc1cccc(Nc2ncnc3cc(NCCCC[NH+]4CCOCC4)ncc32)c1	ZINC000021289279	563016661	/nfs/dbraw/zinc/01/66/61/563016661.db2.gz	LGQGASCJEHGWJL-UHFFFAOYSA-N	1	0	457.376	4.055	1	0		JIAFRO
COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000026000208	563021243	/nfs/dbraw/zinc/02/12/43/563021243.db2.gz	SHIONCUNFVZZAI-FGZHOGPDSA-N	1	0	460.467	4.055	1	0		JIAFRO
CN(C(=O)[C@H](Cc1ccc(C[NH3+])cc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CCCC1	ZINC000026574460	563030283	/nfs/dbraw/zinc/03/02/83/563030283.db2.gz	TXFBQASYRLLGFY-MHZLTWQESA-N	1	0	497.705	4.484	1	0		JIAFRO
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCC[NH2+][C@@H]2c1ccccc1	ZINC000026650967	563032026	/nfs/dbraw/zinc/03/20/26/563032026.db2.gz	MIDMGQDYUATQRC-CNDZOEFASA-N	1	0	459.472	4.057	1	0		JIAFRO
O=C1NCCN1CCC[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1	ZINC000026667167	563033039	/nfs/dbraw/zinc/03/30/39/563033039.db2.gz	VAEVQHTXJSLDAA-UPVQGACJSA-N	1	0	456.993	4.089	1	0		JIAFRO
COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1cc(OCCCN2CC[NH+](C)CC2)ccc1-3	ZINC000027193033	563041056	/nfs/dbraw/zinc/04/10/56/563041056.db2.gz	MYWRPCORAYNKNZ-UHFFFAOYSA-N	1	0	488.632	4.002	1	0		JIAFRO
CCC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1	ZINC000027758992	563051406	/nfs/dbraw/zinc/05/14/06/563051406.db2.gz	HNHMOAQGJVBTST-FGZHOGPDSA-N	1	0	462.999	4.412	1	0		JIAFRO
CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)N(C)C)C(C)C	ZINC000028132510	563057417	/nfs/dbraw/zinc/05/74/17/563057417.db2.gz	FQALZLYOTRJARA-SANMLTNESA-N	1	0	480.653	4.081	1	0		JIAFRO
O=C(Nc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccn1	ZINC000028526391	563067949	/nfs/dbraw/zinc/06/79/49/563067949.db2.gz	MJIKVOBLHMOFQR-UHFFFAOYSA-N	1	0	492.963	4.110	1	0		JIAFRO
Cc1cc(N2CCC[NH2+]CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000028568871	563070135	/nfs/dbraw/zinc/07/01/35/563070135.db2.gz	MXDUTTYBWQJNKC-UHFFFAOYSA-N	1	0	474.483	4.259	1	0		JIAFRO
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC[N@@H+](C2CCCCC2)CC1	ZINC000028569682	563070556	/nfs/dbraw/zinc/07/05/56/563070556.db2.gz	CQEXDWGGRJLLLQ-UHFFFAOYSA-N	1	0	462.569	4.134	1	0		JIAFRO
C[N@@H+]1CCCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1	ZINC000028817170	563079650	/nfs/dbraw/zinc/07/96/50/563079650.db2.gz	KLBORDPMVQMMRO-UHFFFAOYSA-N	1	0	484.583	4.148	1	0		JIAFRO
CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1	ZINC000028824073	563081827	/nfs/dbraw/zinc/08/18/27/563081827.db2.gz	JENSGQYXSBODTJ-WEWMWRJBSA-N	1	0	497.083	4.215	1	0		JIAFRO
Cc1ccc2c(cc(F)cc2OCC[NH+]2CCC(Cc3cc(F)c4c(c3)NC(=O)CO4)CC2)n1	ZINC000028887291	563085044	/nfs/dbraw/zinc/08/50/44/563085044.db2.gz	JDCBVBSQNVZJSS-UHFFFAOYSA-N	1	0	467.516	4.486	1	0		JIAFRO
C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c43)C[C@H]21	ZINC000029038748	563090969	/nfs/dbraw/zinc/09/09/69/563090969.db2.gz	JRUPWIBSWDLMQK-OMXJDXKCSA-N	1	0	484.978	4.408	1	0		JIAFRO
C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)[NH+](C)C	ZINC000034470962	563113622	/nfs/dbraw/zinc/11/36/22/563113622.db2.gz	JVKWLDWZLXQUEU-QRQCRPRQSA-N	1	0	490.000	4.339	1	0		JIAFRO
C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1)[NH+](C)C	ZINC000034561126	563113798	/nfs/dbraw/zinc/11/37/98/563113798.db2.gz	LAFMSVDAYLPWTK-UGSOOPFHSA-N	1	0	496.029	4.400	1	0		JIAFRO
C[NH+](C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1	ZINC000034804106	563116430	/nfs/dbraw/zinc/11/64/30/563116430.db2.gz	MTTGKUZGRFVEOS-INIZCTEOSA-N	1	0	453.452	4.294	1	0		JIAFRO
Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCC(CNC(=O)C3CC3)(Cc3ccccc3)CC2)CC1	ZINC000040401249	563139507	/nfs/dbraw/zinc/13/95/07/563139507.db2.gz	JXSGDKRRRMLEOC-UHFFFAOYSA-N	1	0	488.676	4.154	1	0		JIAFRO
CN(C)CC[NH2+][C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1	ZINC000040565566	563145567	/nfs/dbraw/zinc/14/55/67/563145567.db2.gz	QUBXOYRLZOEERZ-SFHVURJKSA-N	1	0	453.471	4.441	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040834290	563148859	/nfs/dbraw/zinc/14/88/59/563148859.db2.gz	JUQKSLOQCIZKLV-UJLGHMMASA-N	1	0	468.597	4.295	1	0		JIAFRO
COc1ccc(N(C(=O)c2ccccc2)[C@@H](C(=O)N[C@H](C)C[NH+](C)C)c2ccccc2F)c(OC)c1	ZINC000040914048	563155100	/nfs/dbraw/zinc/15/51/00/563155100.db2.gz	MZAHUXATQGDNPE-NIYFSFCBSA-N	1	0	493.579	4.297	1	0		JIAFRO
O=C(C=C1CCN(C(=O)c2ccccc2O)CC1)N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1	ZINC000043024685	563165297	/nfs/dbraw/zinc/16/52/97/563165297.db2.gz	TVBOHVNCFNQWSW-RUZDIDTESA-N	1	0	487.575	4.238	1	0		JIAFRO
O=C1NCc2ccc(OCCCC[NH+]3CCN(c4cccc5cc(F)c(F)cc54)CC3)cc21	ZINC000043194096	563168221	/nfs/dbraw/zinc/16/82/21/563168221.db2.gz	BPPQBAPLPIUPNT-UHFFFAOYSA-N	1	0	451.517	4.343	1	0		JIAFRO
COc1cccc(CNC(=O)c2ccnc(-c3cccc(C[N@H+](C)C4CCN(C)CC4)c3)c2)c1	ZINC000045168716	563173820	/nfs/dbraw/zinc/17/38/20/563173820.db2.gz	SGZHBASBQYZFBK-UHFFFAOYSA-N	1	0	458.606	4.213	1	0		JIAFRO
C[NH+](C)CCOc1cc(NC(=O)Nc2ccc3c(c2)CCCC3=O)ccc1I	ZINC000045189533	563175299	/nfs/dbraw/zinc/17/52/99/563175299.db2.gz	BFPSYZYANOWILA-UHFFFAOYSA-N	1	0	493.345	4.395	1	0		JIAFRO
CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)cc1	ZINC000045193412	563176651	/nfs/dbraw/zinc/17/66/51/563176651.db2.gz	UTTVFZCFVUWHDV-UHFFFAOYSA-N	1	0	458.584	4.126	1	0		JIAFRO
O=C(CC[NH+]1CCCCC1)Nc1ccc(Nc2nccc(NC[C@@H](O)c3ccccc3)n2)cc1	ZINC000045211178	563179624	/nfs/dbraw/zinc/17/96/24/563179624.db2.gz	VIONTDYDQRRZBY-HSZRJFAPSA-N	1	0	460.582	4.180	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5cccc(OC)c5o4)CC3)c2c1	ZINC000045228176	563180342	/nfs/dbraw/zinc/18/03/42/563180342.db2.gz	AUZXOSQAMJRMRT-VWLOTQADSA-N	1	0	461.562	4.286	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]Cc3ccsc3)cc2)cc1F	ZINC000045228462	563180392	/nfs/dbraw/zinc/18/03/92/563180392.db2.gz	UETCDVOYXXPNJP-UHFFFAOYSA-N	1	0	473.639	4.218	1	0		JIAFRO
COc1ccc(C[NH2+]Cc2ccccc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)c(F)c1	ZINC000045230064	563181049	/nfs/dbraw/zinc/18/10/49/563181049.db2.gz	NJYMLOGGGXYJIF-UHFFFAOYSA-N	1	0	497.636	4.165	1	0		JIAFRO
Cc1cc(-c2ccc(C[NH2+]C3CCN(C)CC3)cc2)ccc1S(=O)(=O)NCc1ccccc1	ZINC000045230422	563181227	/nfs/dbraw/zinc/18/12/27/563181227.db2.gz	GXPDHWUARRMNOM-UHFFFAOYSA-N	1	0	463.647	4.324	1	0		JIAFRO
O=C(NCc1ccc(F)cc1)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000045231228	563181321	/nfs/dbraw/zinc/18/13/21/563181321.db2.gz	LKJSKTBAKBSNKI-UHFFFAOYSA-N	1	0	469.358	4.240	1	0		JIAFRO
CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(O)cc2CN1	ZINC000045288423	563184486	/nfs/dbraw/zinc/18/44/86/563184486.db2.gz	WGPUDGSVDRPEIT-ZXBQXJGLSA-N	1	0	493.692	4.333	1	0		JIAFRO
C[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)CCCC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1	ZINC000045321234	563188156	/nfs/dbraw/zinc/18/81/56/563188156.db2.gz	KZPLVUDQYHXKFQ-PXNSSMCTSA-N	1	0	462.619	4.405	1	0		JIAFRO
O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCC[NH+]3CCOCC3)c1cc2-c1ccccc1Cl	ZINC000045497289	563196004	/nfs/dbraw/zinc/19/60/04/563196004.db2.gz	PNIGLJQLNIHYSA-UHFFFAOYSA-N	1	0	489.959	4.426	1	0		JIAFRO
c1ccc(Oc2ncccc2COCC[N@@H+]2CCCN(C[C@@H]3COc4ccccc4O3)CC2)cc1	ZINC000045498778	563196316	/nfs/dbraw/zinc/19/63/16/563196316.db2.gz	AFRRMVBYOMNLHN-RUZDIDTESA-N	1	0	475.589	4.238	1	0		JIAFRO
Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)c1	ZINC000049054917	563200447	/nfs/dbraw/zinc/20/04/47/563200447.db2.gz	ISWMSPMQTFQNOK-GMAHTHKFSA-N	1	0	460.541	4.381	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000058482362	563206546	/nfs/dbraw/zinc/20/65/46/563206546.db2.gz	MQZAVTQSNLATIC-UHTUKGRDSA-N	1	0	477.645	4.117	1	0		JIAFRO
COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1cccc(C)c1	ZINC000058627820	563208495	/nfs/dbraw/zinc/20/84/95/563208495.db2.gz	CXMYVFCHMOZRRY-HGMGIVORSA-N	1	0	455.558	4.123	1	0		JIAFRO
COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Br)cc2)CC[C@H]([NH+](C)C)C1	ZINC000060325918	563209484	/nfs/dbraw/zinc/20/94/84/563209484.db2.gz	JDJZZFHUUVRNHZ-HNNXBMFYSA-N	1	0	463.397	4.068	1	0		JIAFRO
O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000061895483	563209654	/nfs/dbraw/zinc/20/96/54/563209654.db2.gz	JEEFPVKRNOKVQU-DEOSSOPVSA-N	1	0	468.960	4.266	3	0		JIAFRO
CC(=O)Nc1cc(-c2cccc(C(=O)NCC[NH+](C)C)c2)cn2c(-c3ccc(C(C)=O)cc3)cnc12	ZINC000061906566	563210460	/nfs/dbraw/zinc/21/04/60/563210460.db2.gz	NLYYCXUFNGGFMC-UHFFFAOYSA-N	1	0	483.572	4.121	3	0		JIAFRO
COc1cc(CNC(=O)Nc2nc([C@H]([NH3+])CCc3ccccc3)cs2)cc(OC)c1OC	ZINC000061908407	563210737	/nfs/dbraw/zinc/21/07/37/563210737.db2.gz	KMHWICBKLVVYNI-QGZVFWFLSA-N	1	0	456.568	4.123	3	0		JIAFRO
COc1cc(CNC(=O)Nc2nc([C@@H]([NH3+])CCc3ccccc3)cs2)cc(OC)c1OC	ZINC000061908408	563210741	/nfs/dbraw/zinc/21/07/41/563210741.db2.gz	KMHWICBKLVVYNI-KRWDZBQOSA-N	1	0	456.568	4.123	3	0		JIAFRO
O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H]([C@@H]3CC[C@H]4C[C@@H](O)C5(CCCC5)[C@@H]4[NH2+]3)[C@@]3(O)CN23)cc1	ZINC000085547713	560072280	/nfs/dbraw/zinc/07/22/80/560072280.db2.gz	SMDCKYVCIJEFRI-HZDOCQNFSA-N	1	0	478.677	4.227	1	0	biogenic,in-vitro	JIAFRO
[NH3+]CCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O	ZINC000003842554	562929599	/nfs/dbraw/zinc/92/95/99/562929599.db2.gz	MBUQCDCEVXUSQQ-UHFFFAOYSA-N	1	0	482.628	4.484	1	0		JIAFRO
Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000006577196	562937631	/nfs/dbraw/zinc/93/76/31/562937631.db2.gz	BOAVAHFEIGAIHE-UHFFFAOYSA-N	1	0	480.012	4.259	3	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O	ZINC000008597201	562944699	/nfs/dbraw/zinc/94/46/99/562944699.db2.gz	FZZFCTTYZHUWGH-UUWRZZSWSA-N	1	0	475.614	4.085	1	0		JIAFRO
O=S(=O)(NCCN1CC(C[NH2+][C@@H]2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc21	ZINC000013439522	562962795	/nfs/dbraw/zinc/96/27/95/562962795.db2.gz	JIEXAWQYFXKUHL-RUZDIDTESA-N	1	0	498.092	4.241	1	0		JIAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@@H]3CCC[N@@H+]3C)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000013450631	562964644	/nfs/dbraw/zinc/96/46/44/562964644.db2.gz	DMBNNPMTRSVDEP-VAXXYWNWSA-N	1	0	490.522	4.413	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1	ZINC000013475452	562966981	/nfs/dbraw/zinc/96/69/81/562966981.db2.gz	NANUCLLOMVGATP-UHFFFAOYSA-N	1	0	471.605	4.188	1	0		JIAFRO
CC[NH+]1CCC(n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1	ZINC000013489991	562969050	/nfs/dbraw/zinc/96/90/50/562969050.db2.gz	ARKNUCQRPYIUMU-UHFFFAOYSA-N	1	0	452.558	4.357	1	0		JIAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(NC(=O)Cc1ccccc1)Cc1c2ccccc2[nH]c1[C@@H]3O5	ZINC000013517833	562970631	/nfs/dbraw/zinc/97/06/31/562970631.db2.gz	KZCZLNDSDZJRFZ-CTZUUEIXSA-N	1	0	491.591	4.159	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3ccc(OC(C)C)cc3)C1)CC2	ZINC000013558943	562974588	/nfs/dbraw/zinc/97/45/88/562974588.db2.gz	FGPFKKBVVGHQQB-QFIPXVFZSA-N	1	0	482.621	4.423	1	0		JIAFRO
COc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cn1	ZINC000013643403	562980506	/nfs/dbraw/zinc/98/05/06/562980506.db2.gz	FCFJQOMCLQWCHO-UHFFFAOYSA-N	1	0	480.996	4.407	1	0		JIAFRO
COc1ccc2ccnc(N3CC[NH+](CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1	ZINC000013679083	562983988	/nfs/dbraw/zinc/98/39/88/562983988.db2.gz	IKWFRNZOZWEGCD-UHFFFAOYSA-N	1	0	488.588	4.330	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CCc2ccccc2)CC[C@]314	ZINC000013729840	562985133	/nfs/dbraw/zinc/98/51/33/562985133.db2.gz	FZLPZVPOKOYQGI-QVDUQQMDSA-N	1	0	464.565	4.405	1	0		JIAFRO
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2C3CCCC2CCC3)C1	ZINC000013756913	562988779	/nfs/dbraw/zinc/98/87/79/562988779.db2.gz	QRFPXARGJKLHNN-XDHZZZRXSA-N	1	0	460.018	4.470	1	0		JIAFRO
CC1=C(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1	ZINC000013809171	562995623	/nfs/dbraw/zinc/99/56/23/562995623.db2.gz	QFAYCLRYZRQACH-XMMPIXPASA-N	1	0	486.538	4.118	1	0		JIAFRO
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)Oc2ccccc2)C[C@@H]1C[NH+]1CCCC1	ZINC000013832123	562999461	/nfs/dbraw/zinc/99/94/61/562999461.db2.gz	CLDQREFKVRQNCU-IBGZPJMESA-N	1	0	476.404	4.344	1	0		JIAFRO
CC(=O)Nc1nc2c(cccc2Oc2cc(N3CC[NH+](CCc4ccccc4)CC3)ncn2)s1	ZINC000014974177	563010004	/nfs/dbraw/zinc/01/00/04/563010004.db2.gz	FDUJRNBVBNVJON-UHFFFAOYSA-N	1	0	474.590	4.202	1	0		JIAFRO
C[C@H](C[NH+]1CCN(CC(F)(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000022931041	563018391	/nfs/dbraw/zinc/01/83/91/563018391.db2.gz	WLPFIOOWKOLXJM-LJQANCHMSA-N	1	0	482.554	4.487	1	0		JIAFRO
C[NH+](C)CCCOc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)n(Cc2ccccc2)n1	ZINC000026028780	563022127	/nfs/dbraw/zinc/02/21/27/563022127.db2.gz	IUGPZJVPLNVUIN-UHFFFAOYSA-N	1	0	462.472	4.413	1	0		JIAFRO
COc1ccc(OC[C@H](O)C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccccc3)CC2)cc1	ZINC000026160726	563022766	/nfs/dbraw/zinc/02/27/66/563022766.db2.gz	JQOSVHLPEYZCRY-RUZDIDTESA-N	1	0	490.600	4.255	1	0		JIAFRO
CC(C)N(CC[C@@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1Cl)C(=O)C(F)(F)F	ZINC000026268932	563024977	/nfs/dbraw/zinc/02/49/77/563024977.db2.gz	YOOGFTAVYPSMTI-OAQYLSRUSA-N	1	0	461.956	4.129	1	0		JIAFRO
O=C(c1ccccc1)n1c(=O)oc(CC[NH+]2CCN(c3ccccc3)CC2)c1-c1ccc(F)cc1	ZINC000026294392	563025878	/nfs/dbraw/zinc/02/58/78/563025878.db2.gz	AHIPTSUNNNIZED-UHFFFAOYSA-N	1	0	471.532	4.301	1	0		JIAFRO
COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2SC)cc1	ZINC000026381478	563026770	/nfs/dbraw/zinc/02/67/70/563026770.db2.gz	DMFNVYAGVDTFIU-DEOSSOPVSA-N	1	0	469.651	4.125	1	0		JIAFRO
O=C(C[NH+]1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1	ZINC000026478358	563028238	/nfs/dbraw/zinc/02/82/38/563028238.db2.gz	URDJGFUQDHFRGF-UHFFFAOYSA-N	1	0	458.603	4.021	1	0		JIAFRO
C[NH+]1CCN(c2ccc3c(nc(-c4ccc(F)cc4)n3-c3ccnc(NC4CCCC4)n3)n2)CC1	ZINC000027179881	563040739	/nfs/dbraw/zinc/04/07/39/563040739.db2.gz	BARFMAOTOPEJFY-UHFFFAOYSA-N	1	0	472.572	4.123	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4CCF)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000028087269	563055489	/nfs/dbraw/zinc/05/54/89/563055489.db2.gz	BNEYLUYLEILILO-CSZVXOJQSA-N	1	0	460.549	4.016	1	0		JIAFRO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1csc3ccccc13)CC2	ZINC000028089997	563055608	/nfs/dbraw/zinc/05/56/08/563055608.db2.gz	VAPYWSYJXIUVKA-UHFFFAOYSA-N	1	0	452.620	4.410	1	0		JIAFRO
COc1cccc(-c2c3n(c(=O)n(C[C@H]([NH3+])c4ccccc4)c2=O)[C@H](c2ccccc2)CC3)c1F	ZINC000028128574	563057126	/nfs/dbraw/zinc/05/71/26/563057126.db2.gz	XBVPJDQBUFALDA-VXKWHMMOSA-N	1	0	471.532	4.060	1	0		JIAFRO
CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c(OC)c(Br)cc(Br)c1OC	ZINC000028264953	563059519	/nfs/dbraw/zinc/05/95/19/563059519.db2.gz	NKAYTYNNLMHZBG-GFCCVEGCSA-N	1	0	478.225	4.175	1	0		JIAFRO
COC(=O)c1ccc(C[n+]2ccc(CCC(=O)[C@H]3Cc4cc(OC)c(OC)cc4S3)cc2)cc1	ZINC000028393387	563063668	/nfs/dbraw/zinc/06/36/68/563063668.db2.gz	ICEVKTXKGNOLEX-AREMUKBSSA-N	1	0	478.590	4.045	1	0		JIAFRO
O=C(CCCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1)N1CCN(c2ccccc2F)CC1	ZINC000028647030	563073436	/nfs/dbraw/zinc/07/34/36/563073436.db2.gz	XQSJMNFLLWKGAO-UHFFFAOYSA-N	1	0	473.036	4.116	1	0		JIAFRO
CC[NH+](CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3Cl)CC1=O)C2	ZINC000028649139	563073646	/nfs/dbraw/zinc/07/36/46/563073646.db2.gz	RBSKYVYHTKRFQC-VWLOTQADSA-N	1	0	454.058	4.426	1	0		JIAFRO
CN(C)CC[NH2+]Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	ZINC000028899265	563085906	/nfs/dbraw/zinc/08/59/06/563085906.db2.gz	DFQQPSBLXHWXIC-BWAHOGKJSA-N	1	0	456.546	4.227	1	0		JIAFRO
O=C(N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccno1	ZINC000029038714	563090999	/nfs/dbraw/zinc/09/09/99/563090999.db2.gz	LHFRREYTABIJEO-JOCHJYFZSA-N	1	0	473.602	4.066	1	0		JIAFRO
CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])C(C)C)CC1	ZINC000029041036	563091546	/nfs/dbraw/zinc/09/15/46/563091546.db2.gz	GTBDPLQUZHAUNN-YGPDHOBYSA-N	1	0	497.083	4.357	1	0		JIAFRO
Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1	ZINC000029125362	563094711	/nfs/dbraw/zinc/09/47/11/563094711.db2.gz	GRVBENWAFTWPOR-HXUWFJFHSA-N	1	0	483.461	4.439	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc21	ZINC000029125643	563094776	/nfs/dbraw/zinc/09/47/76/563094776.db2.gz	SOVOCYWSGGRVES-UHFFFAOYSA-N	1	0	459.011	4.145	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000029125725	563094884	/nfs/dbraw/zinc/09/48/84/563094884.db2.gz	JUBBNHGBNYSGEP-UHFFFAOYSA-N	1	0	477.841	4.299	1	0		JIAFRO
O=C([O-])[C@H](Cc1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(CO)c(Cl)c3)CC2)CC1	ZINC000029133447	563097532	/nfs/dbraw/zinc/09/75/32/563097532.db2.gz	VDHDXBKDWKOEOB-SANMLTNESA-N	1	0	487.040	4.083	1	0		JIAFRO
Cc1cccc(CCc2ccc3nc(NC4CCN(CC[NH3+])CC4)n(Cc4nc(C)ccc4O)c3c2)c1	ZINC000029134035	563097700	/nfs/dbraw/zinc/09/77/00/563097700.db2.gz	LEXAHGNGILRDIJ-UHFFFAOYSA-N	1	0	498.675	4.422	1	0		JIAFRO
COc1ccc2c(c1)CN(CC(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)CC2	ZINC000029134100	563097710	/nfs/dbraw/zinc/09/77/10/563097710.db2.gz	ARACOAMEYRWPMF-JWCTUAFDSA-N	1	0	493.692	4.199	1	0		JIAFRO
COc1ccc(CC[N@H+](C)CCCN2CCc3c(C)c(C)c(C)c(C)c3CC2=O)cc1OC	ZINC000029252729	563099669	/nfs/dbraw/zinc/09/96/69/563099669.db2.gz	ZTYGYHZKMBIVKG-UHFFFAOYSA-N	1	0	452.639	4.429	1	0		JIAFRO
O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CC[NH2+][C@@H](CCO)C3)cc12	ZINC000029321663	563100203	/nfs/dbraw/zinc/10/02/03/563100203.db2.gz	AMGPQKPUEYAJPL-QFIPXVFZSA-N	1	0	450.579	4.055	1	0		JIAFRO
Cc1c(N)cccc1C(=O)N1CCC([NH+]2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1	ZINC000029475263	563104850	/nfs/dbraw/zinc/10/48/50/563104850.db2.gz	OVRKNUJOEXZXKB-UHFFFAOYSA-N	1	0	476.665	4.275	1	0		JIAFRO
CCCCN(C)C(=O)[C@H](CC1CCCCC1)[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1	ZINC000029560258	563107035	/nfs/dbraw/zinc/10/70/35/563107035.db2.gz	WYXNAATZTAAMKK-GSDHBNRESA-N	1	0	473.702	4.438	1	0		JIAFRO
C[C@H](Nc1c(-c2c(F)ccc(OCC[NH+](C)C)c2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000034509725	563113787	/nfs/dbraw/zinc/11/37/87/563113787.db2.gz	XAKKESNRKUXRPK-VIFPVBQESA-N	1	0	464.826	4.026	1	0		JIAFRO
CC[N@H+](C)CCN1c2ccc(Cl)cc2S[C@@H](c2ccc(OC)cc2)[C@H](OC(C)=O)C1=O	ZINC000034595883	563113979	/nfs/dbraw/zinc/11/39/79/563113979.db2.gz	XRCCVNITYUHQDQ-VXKWHMMOSA-N	1	0	462.999	4.412	1	0		JIAFRO
O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC[C@@H]1CCO	ZINC000034643545	563114443	/nfs/dbraw/zinc/11/44/43/563114443.db2.gz	FIUQBVQVQVVBHN-HSZRJFAPSA-N	1	0	478.559	4.407	1	0		JIAFRO
O=C(C=Cc1cc(F)cc(F)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1	ZINC000035873451	563121017	/nfs/dbraw/zinc/12/10/17/563121017.db2.gz	JWWBRTLPEUWQCU-OQECSOMKSA-N	1	0	494.586	4.333	1	0		JIAFRO
O=C1CC[C@@]2([NH2+]C/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	ZINC000036221636	563124529	/nfs/dbraw/zinc/12/45/29/563124529.db2.gz	SUEUOYXWDYAPQY-STNYYUMZSA-N	1	0	491.031	4.490	1	0		JIAFRO
O=C(NCc1cccc2cc(C[NH+]3CCC(O)CC3)cnc21)c1ccc(-c2ccc(F)cc2)nc1	ZINC000036351757	563127092	/nfs/dbraw/zinc/12/70/92/563127092.db2.gz	OXDSBFVOYQFPLX-UHFFFAOYSA-N	1	0	470.548	4.323	1	0		JIAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCN(C)CC4=O)c3)CC2)n1	ZINC000038413361	563134393	/nfs/dbraw/zinc/13/43/93/563134393.db2.gz	YSVUERNNHNURMJ-UHFFFAOYSA-N	1	0	472.633	4.155	1	0		JIAFRO
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CC[NH+]3CCCCC3)c2c1	ZINC000038562889	563135052	/nfs/dbraw/zinc/13/50/52/563135052.db2.gz	LSDSOAJNAQEKPI-UHFFFAOYSA-N	1	0	452.551	4.393	1	0		JIAFRO
OC[C@@]1(CCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H](O5)[C@@H]1O	ZINC000040368871	563137126	/nfs/dbraw/zinc/13/71/26/563137126.db2.gz	ONHZVISJAPERIM-FTCFYWFHSA-N	1	0	489.656	4.204	1	0		JIAFRO
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OCC[NH+]1CCCC1	ZINC000040412153	563140991	/nfs/dbraw/zinc/14/09/91/563140991.db2.gz	KYZYGNRBSALYHE-UHFFFAOYSA-N	1	0	458.921	4.353	1	0		JIAFRO
COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)CCC2CCCCC2)CC1	ZINC000040423956	563142663	/nfs/dbraw/zinc/14/26/63/563142663.db2.gz	HUJQNWNRKDRIIR-UHFFFAOYSA-N	1	0	480.049	4.276	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(C)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040892413	563153358	/nfs/dbraw/zinc/15/33/58/563153358.db2.gz	TUZQURVIVXHNQP-WDGPPKDVSA-N	1	0	499.607	4.401	1	0		JIAFRO
CC(=O)Nc1ccc(-c2ccc3c(c2)[nH]nc3-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)cc1	ZINC000040913629	563155026	/nfs/dbraw/zinc/15/50/26/563155026.db2.gz	KZHUDHDVXIZFPR-UHFFFAOYSA-N	1	0	465.561	4.483	1	0		JIAFRO
Fc1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCN(CCN6CCOCC6)CC5)cc4)c3)nc2c1	ZINC000045189950	563175443	/nfs/dbraw/zinc/17/54/43/563175443.db2.gz	SVNNWPDKRKLVSR-UHFFFAOYSA-N	1	0	499.634	4.486	1	0		JIAFRO
O=C(NCCc1cccc(F)c1)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000045193966	563176884	/nfs/dbraw/zinc/17/68/84/563176884.db2.gz	KDTYERNADHGSKJ-UHFFFAOYSA-N	1	0	483.385	4.282	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)nc(NCCc2ccccn2)[nH+]1	ZINC000045203013	563179052	/nfs/dbraw/zinc/17/90/52/563179052.db2.gz	GCUGZUJQSCZEDQ-QHCPKHFHSA-N	1	0	472.618	4.236	1	0		JIAFRO
C[NH+]1CCN(c2ccnc3cc4c(cc32)N(C(=O)Nc2ccc3c(c2)CCCC3=O)CC4)CC1	ZINC000045202945	563179081	/nfs/dbraw/zinc/17/90/81/563179081.db2.gz	RXRKMSGRFCQVQG-UHFFFAOYSA-N	1	0	455.562	4.100	1	0		JIAFRO
Cc1c2ccccc2sc1CN(C)C(=O)/C=C/c1cnc2c(c1)CC1(CC[NH+](C)CC1)C(=O)N2	ZINC000045244992	563181551	/nfs/dbraw/zinc/18/15/51/563181551.db2.gz	WJUKBFDMOLVPQJ-CMDGGOBGSA-N	1	0	474.630	4.483	1	0		JIAFRO
COc1ccc(CN2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC	ZINC000045245334	563181635	/nfs/dbraw/zinc/18/16/35/563181635.db2.gz	XVYISGJLURJDNX-FQEVSTJZSA-N	1	0	485.584	4.383	1	0		JIAFRO
Cc1ccc2c(c1)nc(N1CC[NH2+]CC1)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1	ZINC000045258594	563182970	/nfs/dbraw/zinc/18/29/70/563182970.db2.gz	XDTNFQZQMHHVRT-UHFFFAOYSA-N	1	0	470.552	4.351	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCCOC(C)C)[nH+]1	ZINC000045303285	563187250	/nfs/dbraw/zinc/18/72/50/563187250.db2.gz	CZCWVRZMMYJVIE-DEOSSOPVSA-N	1	0	479.600	4.491	1	0		JIAFRO
COCc1cc(NC(=O)OC[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)n(C)n1	ZINC000045369184	563193607	/nfs/dbraw/zinc/19/36/07/563193607.db2.gz	ZKQPJCFASKEYAL-LJQANCHMSA-N	1	0	479.562	4.434	1	0		JIAFRO
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]C[C@H]1c1cccc(OC(F)(F)F)c1	ZINC000049045708	563199332	/nfs/dbraw/zinc/19/93/32/563199332.db2.gz	CTRQZHLDFMECBD-HOTGVXAUSA-N	1	0	451.832	4.022	1	0		JIAFRO
CC(=O)NCC[NH2+]C[C@H]1CC[C@H]2[C@H](c3ccccc3)Nc3c(F)cc(Br)cc3[C@H]2O1	ZINC000049046496	563199442	/nfs/dbraw/zinc/19/94/42/563199442.db2.gz	PMAGPUQCJLWJIW-GPFNJZLUSA-N	1	0	476.390	4.317	1	0		JIAFRO
C[C@H]1C(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCc3ccccc3)C2)C(=O)[C@H]1C	ZINC000058497874	563206621	/nfs/dbraw/zinc/20/66/21/563206621.db2.gz	VVAKFMYPSHJCMB-XJUOHMSHSA-N	1	0	462.590	4.334	1	0		JIAFRO
O=C(Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)cn2cc1-c1cccc(Cl)c1)NCC1CC1	ZINC000058592457	563208212	/nfs/dbraw/zinc/20/82/12/563208212.db2.gz	IBEMAWPWVKWRNT-UHFFFAOYSA-N	1	0	497.039	4.202	1	0		JIAFRO
Cc1ccc(CN2CCC[C@]3([NH2+][C@H](c4ccccc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1	ZINC000061921254	563211046	/nfs/dbraw/zinc/21/10/46/563211046.db2.gz	KFWDKJGJGQBYSN-ACXCVDCASA-N	1	0	493.607	4.002	3	0		JIAFRO
O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000004199832	194384346	/nfs/dbraw/zinc/38/43/46/194384346.db2.gz	GPLHYXPUZDDDEK-OAGGEKHMSA-N	1	0	453.896	4.117	1	0		JIAFRO
COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)[C@@H]1c1cccs1	ZINC000020508249	523809427	/nfs/dbraw/zinc/80/94/27/523809427.db2.gz	FZIAYLHXDRBAIJ-RPWUZVMVSA-N	1	0	469.651	4.056	1	0		JIAFRO
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@H]5[C@H]4C[N@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1	ZINC000070454887	560047947	/nfs/dbraw/zinc/04/79/47/560047947.db2.gz	LCJGVSFMDQXVDC-KLVGYOOXSA-N	1	0	471.682	4.457	1	0	biogenic,in-vitro	JIAFRO
COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CCCC(C)C)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34	ZINC000085532494	560072730	/nfs/dbraw/zinc/07/27/30/560072730.db2.gz	DCJPJLWYSNSKOZ-JVXHDFHASA-N	1	0	487.637	4.161	1	0	biogenic,in-vitro	JIAFRO
COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)[N@@H+]13	ZINC000085511852	560073714	/nfs/dbraw/zinc/07/37/14/560073714.db2.gz	PHZITYJHCYPBFZ-AINPQWOISA-N	1	0	495.616	4.029	1	0	biogenic,in-vitro	JIAFRO
Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(N3CC[NH2+]CC3)n2)cc1	ZINC000001553578	562921373	/nfs/dbraw/zinc/92/13/73/562921373.db2.gz	AIBKIFHSQQYXLG-UHFFFAOYSA-N	1	0	485.057	4.020	1	0	in-vivo	JIAFRO
CC[S@@](=O)c1ncccc1C1(O)CC[NH+](CC23CC(c4ccccc42)c2ccccc23)CC1	ZINC000003788782	562928052	/nfs/dbraw/zinc/92/80/52/562928052.db2.gz	LVMVFEHQMHETDS-UTYLIKPDSA-N	1	0	458.627	4.328	1	0	investigational	JIAFRO
COc1ccccc1N1CC[NH+](CCCNC(=O)c2ccccc2OCc2ccccc2)CC1	ZINC000003810329	562928628	/nfs/dbraw/zinc/92/86/28/562928628.db2.gz	XXIZRVSZUPYQCB-UHFFFAOYSA-N	1	0	459.590	4.216	1	0		JIAFRO
CC[NH+]1CCN(c2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc32)CC1	ZINC000004076368	562932163	/nfs/dbraw/zinc/93/21/63/562932163.db2.gz	ZTAZPRXIXQQASE-UHFFFAOYSA-N	1	0	454.958	4.300	3	0		JIAFRO
CCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1	ZINC000004076966	562932209	/nfs/dbraw/zinc/93/22/09/562932209.db2.gz	QUDYTZKUPXZVCE-UHFFFAOYSA-N	1	0	475.593	4.051	3	0		JIAFRO
CC[S@](=O)c1ncccc1C1(O)CC[NH+](CC23CC(c4ccccc42)c2ccccc23)CC1	ZINC000004628914	562933543	/nfs/dbraw/zinc/93/35/43/562933543.db2.gz	LVMVFEHQMHETDS-LXGPMFGNSA-N	1	0	458.627	4.328	1	0	investigational	JIAFRO
O=C([C@@H]1CC(=O)c2ccccc21)N1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1	ZINC000011996193	562958315	/nfs/dbraw/zinc/95/83/15/562958315.db2.gz	IAIQWDMGZMDMTJ-HHHXNRCGSA-N	1	0	497.595	4.216	1	0		JIAFRO
CC[C@]1(C2CC[NH+](Cc3ccccc3Cl)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O	ZINC000012028455	562958666	/nfs/dbraw/zinc/95/86/66/562958666.db2.gz	MRVZDMKDSISAJS-RXFWQSSRSA-N	1	0	483.996	4.093	1	0		JIAFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cccc(C(=O)Nc3ccccc3)c2)c(Cl)c1	ZINC000013446242	562964257	/nfs/dbraw/zinc/96/42/57/562964257.db2.gz	XMRWSGWMJXVXEL-UHFFFAOYSA-N	1	0	476.968	4.357	1	0		JIAFRO
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000013490291	562969258	/nfs/dbraw/zinc/96/92/58/562969258.db2.gz	KSKVIZXIXFRARN-SANMLTNESA-N	1	0	496.652	4.029	1	0		JIAFRO
Cn1ccnc1-c1ccc2c(c1)c(C1CC[NH+](CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1	ZINC000013493009	562970064	/nfs/dbraw/zinc/97/00/64/562970064.db2.gz	FFQNIRWMHOFXPG-UHFFFAOYSA-N	1	0	486.595	4.375	1	0		JIAFRO
COc1cc2[nH+]c3c(c(N)c2cc1OC)CC[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)C3	ZINC000013528643	562971882	/nfs/dbraw/zinc/97/18/82/562971882.db2.gz	MNZMMOCNWZJEOK-ZDUSSCGKSA-N	1	0	459.468	4.388	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3ccc4[nH]ccc4c3)C1)CC2	ZINC000013558964	562974606	/nfs/dbraw/zinc/97/46/06/562974606.db2.gz	GFDSOEVUTCNTBH-NRFANRHFSA-N	1	0	463.578	4.117	1	0		JIAFRO
COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3ccc(OC(C)C)cc3)C1)CC2	ZINC000013558942	562974623	/nfs/dbraw/zinc/97/46/23/562974623.db2.gz	FGPFKKBVVGHQQB-JOCHJYFZSA-N	1	0	482.621	4.423	1	0		JIAFRO
Cc1c(-c2ccccc2F)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F	ZINC000013609636	562979119	/nfs/dbraw/zinc/97/91/19/562979119.db2.gz	FSEVJYLGSSELNC-QHCPKHFHSA-N	1	0	465.475	4.151	1	0		JIAFRO
COc1cccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2F)c1	ZINC000013643375	562980466	/nfs/dbraw/zinc/98/04/66/562980466.db2.gz	WLNFMTABODWTMD-UHFFFAOYSA-N	1	0	463.553	4.497	1	0		JIAFRO
COc1cc(CC[NH2+]Cc2ccc(I)cc2)c(OC)cc1Br	ZINC000013737383	562986104	/nfs/dbraw/zinc/98/61/04/562986104.db2.gz	BUIFHBHRASKRDP-UHFFFAOYSA-N	1	0	476.152	4.403	1	0		JIAFRO
CC[NH+](CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C(F)(F)F	ZINC000013740054	562986630	/nfs/dbraw/zinc/98/66/30/562986630.db2.gz	RRVWTVVDLQKPSR-UHFFFAOYSA-N	1	0	481.544	4.485	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCSc2nc3sc4c(c3c(=O)n2C)CCCC4)CC1	ZINC000013761029	562989764	/nfs/dbraw/zinc/98/97/64/562989764.db2.gz	VQFTZVYHMWKLKQ-UHFFFAOYSA-N	1	0	484.691	4.187	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4nccc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013800202	562993769	/nfs/dbraw/zinc/99/37/69/562993769.db2.gz	DKEIJHBYXUNGCD-FQYQUSJJSA-N	1	0	452.554	4.153	1	0		JIAFRO
CN(C(=O)Nc1ccccc1)C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000013802499	562994363	/nfs/dbraw/zinc/99/43/63/562994363.db2.gz	DFAFGKSNYKCGTB-UHFFFAOYSA-N	1	0	457.582	4.310	1	0		JIAFRO
CC1(C)CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCc3ccccc3)C2)C1=O	ZINC000027206194	563041741	/nfs/dbraw/zinc/04/17/41/563041741.db2.gz	RYQPJXOPUYSISP-QFIPXVFZSA-N	1	0	462.590	4.478	1	0		JIAFRO
CC(=O)Nc1cccc([C@@H](C[N@@H+]2CC[C@H](O)C2)N(C)C(=O)C(c2ccccc2)c2ccccc2)c1	ZINC000027741574	563051095	/nfs/dbraw/zinc/05/10/95/563051095.db2.gz	HNNRHYCRMKQZLP-RRPNLBNLSA-N	1	0	471.601	4.043	1	0		JIAFRO
CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCOc2ccc3ccc(=O)oc3c2)CC1	ZINC000027901388	563053336	/nfs/dbraw/zinc/05/33/36/563053336.db2.gz	AWEJUSDMBVWBHB-UHFFFAOYSA-N	1	0	464.562	4.096	1	0		JIAFRO
CCc1cc(NC(=O)N[C@@H]2CCC[N@H+](CCCCc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1	ZINC000028331792	563059605	/nfs/dbraw/zinc/05/96/05/563059605.db2.gz	PMCOYPWUSGAIJE-HSZRJFAPSA-N	1	0	479.604	4.187	1	0		JIAFRO
CCOc1c(Br)cc(Cl)cc1C[NH2+]CCCNc1nc2ccccc2c(=O)[nH]1	ZINC000028365276	563061968	/nfs/dbraw/zinc/06/19/68/563061968.db2.gz	JJETYIDZMMBZNR-UHFFFAOYSA-N	1	0	465.779	4.330	1	0		JIAFRO
O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1C[C@H]([NH+]1CCCC1)C2	ZINC000028367234	563062116	/nfs/dbraw/zinc/06/21/16/563062116.db2.gz	OUBAYTQKDFOKLY-HXUWFJFHSA-N	1	0	457.509	4.183	1	0		JIAFRO
Cc1cc(N2CC[NH2+][C@@H](C)C2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000028570116	563070688	/nfs/dbraw/zinc/07/06/88/563070688.db2.gz	FAXPUHNSHUFZDY-INIZCTEOSA-N	1	0	474.483	4.257	1	0		JIAFRO
C[C@H](Cc1cccc(CC(=O)NCc2cccc3ccccc32)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1	ZINC000028703759	563075137	/nfs/dbraw/zinc/07/51/37/563075137.db2.gz	LNLZSWIPUDJYBF-DFXYEROKSA-N	1	0	498.623	4.151	1	0		JIAFRO
CCCCCC(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000028714010	563077526	/nfs/dbraw/zinc/07/75/26/563077526.db2.gz	DOCFAXMNRBCGDH-UHFFFAOYSA-N	1	0	460.066	4.394	1	0		JIAFRO
COc1ccc2c(c1)c(Cc1csc(NC(=O)C[NH3+])n1)c(C)n2C(=O)c1ccc(Cl)cc1	ZINC000028760664	563078214	/nfs/dbraw/zinc/07/82/14/563078214.db2.gz	LSNLANYWHAPMOB-UHFFFAOYSA-N	1	0	468.966	4.245	1	0		JIAFRO
Cc1c(C[NH2+]C[C@H](O)c2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O	ZINC000028822494	563081103	/nfs/dbraw/zinc/08/11/03/563081103.db2.gz	ICXWYBQVSJDEDL-NRFANRHFSA-N	1	0	496.032	4.315	1	0		JIAFRO
Cc1ccc2c(cc(F)cc2OCC[NH+]2CCC(Cc3ccc4c(c3F)NC(=O)CO4)CC2)n1	ZINC000028887265	563085038	/nfs/dbraw/zinc/08/50/38/563085038.db2.gz	NNKWTFPUEFVMKD-UHFFFAOYSA-N	1	0	467.516	4.486	1	0		JIAFRO
C[NH+]1CCN(c2ccc3[nH]c(-c4[nH]nc5ncc(-c6cncc7ccccc76)cc54)nc3c2)CC1	ZINC000028950074	563086937	/nfs/dbraw/zinc/08/69/37/563086937.db2.gz	AHZUHDSHQGQZRW-UHFFFAOYSA-N	1	0	460.545	4.468	1	0		JIAFRO
CN1C(=O)C(c2c[nH]c3ccc(Br)cc32)=C(c2cn(CCC[NH3+])c3ccccc23)C1=O	ZINC000029125120	563094603	/nfs/dbraw/zinc/09/46/03/563094603.db2.gz	TVRYIMJKOGUUPN-UHFFFAOYSA-N	1	0	477.362	4.143	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000029125376	563094675	/nfs/dbraw/zinc/09/46/75/563094675.db2.gz	UGTBAOPRNYHBSM-UHFFFAOYSA-N	1	0	476.948	4.011	1	0		JIAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCCCn3c(=O)[nH]c4c5ccccc5sc4c3=O)C[C@H]21	ZINC000029341627	563101078	/nfs/dbraw/zinc/10/10/78/563101078.db2.gz	PJUNYVKXGHDWBR-UWJYYQICSA-N	1	0	475.614	4.355	1	0		JIAFRO
CC[NH+](CC)C[C@@H]1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc21	ZINC000029462315	563103878	/nfs/dbraw/zinc/10/38/78/563103878.db2.gz	NQUYEGAGAHPKQI-SFHVURJKSA-N	1	0	455.990	4.162	1	0		JIAFRO
COC(=O)c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1	ZINC000029479104	563105103	/nfs/dbraw/zinc/10/51/03/563105103.db2.gz	YNLOIURKWHHADW-RUZDIDTESA-N	1	0	499.611	4.232	1	0		JIAFRO
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000034250072	563112694	/nfs/dbraw/zinc/11/26/94/563112694.db2.gz	KSJFBUQQDKCVSE-DEOSSOPVSA-N	1	0	455.643	4.127	1	0		JIAFRO
O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC[C@H]1CCO	ZINC000034643546	563114436	/nfs/dbraw/zinc/11/44/36/563114436.db2.gz	FIUQBVQVQVVBHN-QHCPKHFHSA-N	1	0	478.559	4.407	1	0		JIAFRO
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]([NH2+]CCN1CCOCC1)c1ccccc1	ZINC000034804189	563116377	/nfs/dbraw/zinc/11/63/77/563116377.db2.gz	XTOQDJQEIMRZFK-HXUWFJFHSA-N	1	0	489.460	4.004	1	0		JIAFRO
C[NH2+]Cc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1	ZINC000035002845	563118198	/nfs/dbraw/zinc/11/81/98/563118198.db2.gz	QDIWQTJSMJPEDO-UHFFFAOYSA-N	1	0	460.401	4.097	1	0		JIAFRO
[NH2+]=C1N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12	ZINC000035998747	563121883	/nfs/dbraw/zinc/12/18/83/563121883.db2.gz	OPSMDCTXTURNQW-QHCPKHFHSA-N	1	0	469.442	4.462	1	0		JIAFRO
CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@@H+]2CCO)cc(C(C)=O)c1	ZINC000036093268	563122215	/nfs/dbraw/zinc/12/22/15/563122215.db2.gz	KHIUUVSTTUGPRZ-CUNXSJBXSA-N	1	0	497.611	4.448	1	0		JIAFRO
CC[C@H](c1nn2cccc2c(=O)n1Cc1ccccc1)N(CC1CC[NH2+]CC1)C(=O)c1ccc(C)cc1	ZINC000036184712	563123665	/nfs/dbraw/zinc/12/36/65/563123665.db2.gz	UHJMXECQFLCYRW-AREMUKBSSA-N	1	0	497.643	4.446	1	0		JIAFRO
CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C(C)C)C4)C3)cc2)cc1	ZINC000036351758	563127076	/nfs/dbraw/zinc/12/70/76/563127076.db2.gz	NPGGOUFGMBNMGS-FTJBHMTQSA-N	1	0	462.638	4.255	1	0		JIAFRO
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCC[NH+]1CCCCC1	ZINC000040412947	563141083	/nfs/dbraw/zinc/14/10/83/563141083.db2.gz	IQRQPBXCRBANDP-UHFFFAOYSA-N	1	0	455.509	4.262	1	0		JIAFRO
CN1CCN(CC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1	ZINC000040878121	563152633	/nfs/dbraw/zinc/15/26/33/563152633.db2.gz	OUNJNJICLLAMIU-ABQAWVCCSA-N	1	0	487.688	4.362	1	0		JIAFRO
Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1	ZINC000040895086	563153797	/nfs/dbraw/zinc/15/37/97/563153797.db2.gz	JMJZSLIIHVSDBK-AREMUKBSSA-N	1	0	459.634	4.421	1	0		JIAFRO
CC[NH2+]CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O	ZINC000040917954	563155989	/nfs/dbraw/zinc/15/59/89/563155989.db2.gz	YPOXRWBHPLIZDK-UHFFFAOYSA-N	1	0	461.437	4.244	1	0		JIAFRO
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CC[NH+](C2CC2)CC1	ZINC000040935228	563157653	/nfs/dbraw/zinc/15/76/53/563157653.db2.gz	NHHQYRXTLMSJAV-UHFFFAOYSA-N	1	0	467.520	4.039	1	0		JIAFRO
CN1C(=O)CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O	ZINC000040957698	563161169	/nfs/dbraw/zinc/16/11/69/563161169.db2.gz	MHGJZCNJQULIDE-XMMPIXPASA-N	1	0	455.396	4.378	1	0		JIAFRO
COc1cc2c(cc1OCC[NH+]1CCCCC1)-c1[nH]nc(-c3ccc(OCC(C)=O)cc3)c1C2	ZINC000043068874	563166151	/nfs/dbraw/zinc/16/61/51/563166151.db2.gz	LKTIUVNFFOUCAK-UHFFFAOYSA-N	1	0	461.562	4.489	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1	ZINC000045168973	563174048	/nfs/dbraw/zinc/17/40/48/563174048.db2.gz	PEFPPOLRDCABDN-UHFFFAOYSA-N	1	0	456.575	4.212	1	0		JIAFRO
c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCN(CCN6CCOCC6)CC5)c4)c3)nc2c1	ZINC000045201178	563178033	/nfs/dbraw/zinc/17/80/33/563178033.db2.gz	DYMVENUFJZHMAK-UHFFFAOYSA-N	1	0	481.644	4.347	1	0		JIAFRO
COc1cc(C[N@@H+]2CC[C@@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)ccc1F	ZINC000045202383	563178668	/nfs/dbraw/zinc/17/86/68/563178668.db2.gz	OXUNIQNFLKMORM-HXUWFJFHSA-N	1	0	450.514	4.020	1	0		JIAFRO
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(CCN2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000045226866	563179794	/nfs/dbraw/zinc/17/97/94/563179794.db2.gz	XBOHAPXSLFJQFN-UHFFFAOYSA-N	1	0	459.631	4.428	1	0		JIAFRO
COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)s1	ZINC000045228585	563180466	/nfs/dbraw/zinc/18/04/66/563180466.db2.gz	DRMKPTYTYBFERT-UHFFFAOYSA-N	1	0	485.675	4.086	1	0		JIAFRO
CS(=O)(=O)NCCC[NH2+]Cc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1	ZINC000045229001	563180628	/nfs/dbraw/zinc/18/06/28/563180628.db2.gz	PXUKRHVEMNXIHV-UHFFFAOYSA-N	1	0	452.555	4.065	1	0		JIAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCCCOC(C)C)nc(NCCc2ccc(F)cc2)[nH+]1	ZINC000045229614	563180931	/nfs/dbraw/zinc/18/09/31/563180931.db2.gz	ZIRHDWFBWUATDC-QFIPXVFZSA-N	1	0	459.610	4.337	1	0		JIAFRO
O=C(c1csc(-c2cccnc2)n1)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21	ZINC000045324407	563189149	/nfs/dbraw/zinc/18/91/49/563189149.db2.gz	JYVHDSYKCFNNDO-FQEVSTJZSA-N	1	0	482.613	4.241	1	0		JIAFRO
CN(C(=O)[C@@H]1CN(S(=O)(=O)c2cccc3c(Cl)cccc32)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049047145	563199527	/nfs/dbraw/zinc/19/95/27/563199527.db2.gz	VCTMDBUJYNNLFY-JOCHJYFZSA-N	1	0	498.048	4.338	1	0		JIAFRO
COc1cc(OC)cc(N2CCN(CC[NH2+]CCOc3ccccc3)[C@@H](c3ccccc3)C2)c1	ZINC000058487461	563206599	/nfs/dbraw/zinc/20/65/99/563206599.db2.gz	GYFRBAIYZKXOIP-MUUNZHRXSA-N	1	0	461.606	4.236	1	0		JIAFRO
COc1ccc([C@@]23C[C@@H]2C[N@H+](CCCSc2nnc(-c4ocnc4C)n2C)C3)cc1Cl	ZINC000058519715	563206829	/nfs/dbraw/zinc/20/68/29/563206829.db2.gz	DHOZKKHZCBDGEK-ZHRRBRCNSA-N	1	0	460.003	4.196	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-n3ccnc3)c2)CCCCC1	ZINC000058523369	563206878	/nfs/dbraw/zinc/20/68/78/563206878.db2.gz	AGZWJSVSGAGFQV-IZZNHLLZSA-N	1	0	482.575	4.008	1	0		JIAFRO
CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)CNC(=[NH2+])NC1CCCCC1	ZINC000085628423	560068607	/nfs/dbraw/zinc/06/86/07/560068607.db2.gz	HWDNZMVHDRITLB-FGCOXFRFSA-N	1	0	491.673	4.269	1	0	biogenic,in-vitro	JIAFRO
Cc1cc(N2CCC(N(C)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc[nH+]1	ZINC000000594037	562918194	/nfs/dbraw/zinc/91/81/94/562918194.db2.gz	HPHLSPULJKIGAN-UHFFFAOYSA-N	1	0	486.037	4.488	1	0		JIAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(I)c2)C1C(=O)OCC	ZINC000000970846	562919575	/nfs/dbraw/zinc/91/95/75/562919575.db2.gz	VHRNXCIBWURQSB-PQMNFKMDSA-N	1	0	455.292	4.493	1	0		JIAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1	ZINC000003581433	562927177	/nfs/dbraw/zinc/92/71/77/562927177.db2.gz	MEIJADBULOETOV-KRWDZBQOSA-N	1	0	458.360	4.028	1	0	in-vivo	JIAFRO
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](C[NH+]1CCCC1)CCn1cc2c2ccccc21	ZINC000003812170	562928727	/nfs/dbraw/zinc/92/87/27/562928727.db2.gz	WORLFHNBHSSAJQ-FQEVSTJZSA-N	1	0	494.595	4.048	1	0		JIAFRO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1	ZINC000011812943	562957722	/nfs/dbraw/zinc/95/77/22/562957722.db2.gz	UHQVMOOFQUHNHB-UHFFFAOYSA-N	1	0	486.620	4.438	1	0		JIAFRO
O=C([C@H]1CC12CC[NH+](Cc1cccc3cccnc31)CC2)N1CCN(Cc2cccs2)CC1	ZINC000011815207	562957802	/nfs/dbraw/zinc/95/78/02/562957802.db2.gz	NMHKBXXOYRKBOP-XMMPIXPASA-N	1	0	460.647	4.243	1	0		JIAFRO
Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc4ccccc4c2)CC3)c(C)c1	ZINC000011978172	562958122	/nfs/dbraw/zinc/95/81/22/562958122.db2.gz	KIPINZGDSJKXLH-UHFFFAOYSA-N	1	0	453.590	4.079	1	0		JIAFRO
CC[C@@]1(C2CC[NH+](Cc3cccc(Cl)c3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O	ZINC000012020906	562958457	/nfs/dbraw/zinc/95/84/57/562958457.db2.gz	UIJFRSSIKKOWIC-LVXARBLLSA-N	1	0	483.996	4.093	1	0		JIAFRO
CC1(C)C[C@@H](C(=O)N2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)CCO1	ZINC000012030539	562958804	/nfs/dbraw/zinc/95/88/04/562958804.db2.gz	BKYYMMLEPAZSDU-QFIPXVFZSA-N	1	0	479.621	4.051	1	0		JIAFRO
O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCC[C@H](CCCO)C1	ZINC000012074461	562958954	/nfs/dbraw/zinc/95/89/54/562958954.db2.gz	KFXNVKGDCISRGP-XMMPIXPASA-N	1	0	450.623	4.397	3	0		JIAFRO
COc1cc(C(N)=[NH2+])cc(Oc2nc(Oc3cccc(C(=O)N(C)C)c3)c(F)c(C)c2F)c1OC	ZINC000013474051	562966634	/nfs/dbraw/zinc/96/66/34/562966634.db2.gz	YCGYRXIXTWNRIN-UHFFFAOYSA-N	1	0	486.475	4.256	1	0		JIAFRO
O=c1cc(C(F)(F)F)c2cnc(Nc3ccc(N4CC[NH2+]CC4)cc3)nc2n1C1CCCC1	ZINC000013641499	562980219	/nfs/dbraw/zinc/98/02/19/562980219.db2.gz	IZCQBCIFVPXHCQ-UHFFFAOYSA-N	1	0	458.488	4.079	1	0		JIAFRO
C[N@@H+]1CCC[C@@H](CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)C1	ZINC000013778974	562991233	/nfs/dbraw/zinc/99/12/33/562991233.db2.gz	DTACAHMZFMCUJP-AFMDSPMNSA-N	1	0	451.014	4.184	1	0		JIAFRO
C[NH+]1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4c(Cl)ccnc43)CC2)CC1	ZINC000013778949	562991264	/nfs/dbraw/zinc/99/12/64/562991264.db2.gz	KUDPIMFKJDNBBT-SANMLTNESA-N	1	0	487.475	4.453	1	0		JIAFRO
O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000013782632	562992658	/nfs/dbraw/zinc/99/26/58/562992658.db2.gz	XPGQLDMKJHVVMR-UHFFFAOYSA-N	1	0	465.597	4.460	1	0		JIAFRO
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21	ZINC000014951018	563007178	/nfs/dbraw/zinc/00/71/78/563007178.db2.gz	XIAQRAMGKZHVGC-CBQOVEMMSA-N	1	0	463.603	4.360	1	0		JIAFRO
CN(C[C@@H](CC[NH+]1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000022930532	563018234	/nfs/dbraw/zinc/01/82/34/563018234.db2.gz	IVTHAPWFCZUPEF-OAQYLSRUSA-N	1	0	476.448	4.256	1	0		JIAFRO
C[C@H](C[NH+]1CCN(C[C@@H](F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000022931020	563018458	/nfs/dbraw/zinc/01/84/58/563018458.db2.gz	VQZDZTOKSITKJO-XXBNENTESA-N	1	0	464.564	4.190	1	0		JIAFRO
O[C@H](COc1cccc2ncccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934092	563018702	/nfs/dbraw/zinc/01/87/02/563018702.db2.gz	AHUJPTIVDGIZLP-VWLOTQADSA-N	1	0	453.586	4.382	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](Cc2ccccc2)CC[C@]314	ZINC000026486850	563028435	/nfs/dbraw/zinc/02/84/35/563028435.db2.gz	DAPVKCQHHYNRTJ-FQYQUSJJSA-N	1	0	450.538	4.363	1	0		JIAFRO
I/C=C\CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000026569646	563029953	/nfs/dbraw/zinc/02/99/53/563029953.db2.gz	MVOKEKQSURFUIZ-GHXNOFRVSA-N	1	0	462.375	4.359	1	0		JIAFRO
I/C=C/CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000026575019	563030305	/nfs/dbraw/zinc/03/03/05/563030305.db2.gz	MVOKEKQSURFUIZ-KPKJPENVSA-N	1	0	462.375	4.359	1	0		JIAFRO
CCc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC	ZINC000026830493	563036298	/nfs/dbraw/zinc/03/62/98/563036298.db2.gz	OWEBPOZOUHRVAW-IGKIAQTJSA-N	1	0	482.646	4.496	1	0		JIAFRO
CCc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC	ZINC000026830482	563036308	/nfs/dbraw/zinc/03/63/08/563036308.db2.gz	OWEBPOZOUHRVAW-SHQCIBLASA-N	1	0	482.646	4.496	1	0		JIAFRO
CCN1c2ccccc2O/C1=C\C=c1/s/c(=C\c2sc3ccccc3[n+]2CC)sc1=O	ZINC000026938890	563037664	/nfs/dbraw/zinc/03/76/64/563037664.db2.gz	VHZAVUJIBPXZPH-CASMMISMSA-N	1	0	465.645	4.062	1	0		JIAFRO
Oc1ccc2c3c1O[C@@H]1c4nccc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000027109334	563040630	/nfs/dbraw/zinc/04/06/30/563040630.db2.gz	DKEIJHBYXUNGCD-HYJYBNJOSA-N	1	0	452.554	4.153	1	0		JIAFRO
C[C@H]1CN(c2nsc3ccccc32)CC[N@@H+]1CCCCN1C(=O)CC2(CCCC2)CC1=O	ZINC000027194592	563041113	/nfs/dbraw/zinc/04/11/13/563041113.db2.gz	CHQUPBFWSFLZTG-IBGZPJMESA-N	1	0	454.640	4.296	1	0		JIAFRO
COc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1	ZINC000027657258	563049346	/nfs/dbraw/zinc/04/93/46/563049346.db2.gz	XTJCHDWRHFTGSE-JQIJEIRASA-N	1	0	484.644	4.407	1	0		JIAFRO
O=C1[C@@H](c2cccc(S(=O)(=O)N3CCCC3)c2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000028398268	563063925	/nfs/dbraw/zinc/06/39/25/563063925.db2.gz	NKYJLIWHMCZXIF-SXOMAYOGSA-N	1	0	493.673	4.180	1	0		JIAFRO
COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1Cl	ZINC000028474277	563065828	/nfs/dbraw/zinc/06/58/28/563065828.db2.gz	JIQRGFZMYYMAHF-QFIPXVFZSA-N	1	0	497.929	4.366	1	0		JIAFRO
CC(C)(C)c1nc(N2CC[NH+](CCCCN3Cc4ccccc4CC3=O)CC2)cc(C(F)(F)F)n1	ZINC000028568317	563070060	/nfs/dbraw/zinc/07/00/60/563070060.db2.gz	IVLRTSCKCRHEJC-UHFFFAOYSA-N	1	0	489.586	4.280	1	0		JIAFRO
Cc1ccccc1C(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000028714028	563077507	/nfs/dbraw/zinc/07/75/07/563077507.db2.gz	IPMKBBDSSNDQFN-UHFFFAOYSA-N	1	0	480.056	4.436	1	0		JIAFRO
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)[NH2+]CC(C)C)s1	ZINC000028827384	563083080	/nfs/dbraw/zinc/08/30/80/563083080.db2.gz	UQQWKEALQOHHIX-KDOFPFPSSA-N	1	0	452.571	4.194	1	0		JIAFRO
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OCCC[NH+]3CCCCC3)cc2)C(=O)C1	ZINC000028870196	563084043	/nfs/dbraw/zinc/08/40/43/563084043.db2.gz	KWYMNGJPCCGRDH-UHFFFAOYSA-N	1	0	455.986	4.084	1	0		JIAFRO
C[C@H]([NH3+])c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1	ZINC000028898372	563085871	/nfs/dbraw/zinc/08/58/71/563085871.db2.gz	BNYQCLBSRNFGPY-ZDUSSCGKSA-N	1	0	453.944	4.164	1	0		JIAFRO
c1cn(-c2ccc([C@@H]3C[N@@H+]4CCC[C@@H]4c4cc(OCCCN5CCOCC5)ccc43)cc2)cn1	ZINC000028903361	563086388	/nfs/dbraw/zinc/08/63/88/563086388.db2.gz	SURMDNBXOGRWFS-WUFINQPMSA-N	1	0	458.606	4.256	1	0		JIAFRO
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)C[N@H+](C)[C@@H]1C2	ZINC000028950371	563086970	/nfs/dbraw/zinc/08/69/70/563086970.db2.gz	UPYKZJUDJKDDFU-YOSAUDMPSA-N	1	0	487.566	4.098	1	0		JIAFRO
CCCCN1C(=O)COc2ccc(CN3CC[NH+](CCOc4cccc5nc(C)ccc54)CC3)cc21	ZINC000028954164	563088118	/nfs/dbraw/zinc/08/81/18/563088118.db2.gz	GHBSODKXXQMXAV-UHFFFAOYSA-N	1	0	488.632	4.265	1	0		JIAFRO
CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])C(C)C)CC1	ZINC000029041159	563091598	/nfs/dbraw/zinc/09/15/98/563091598.db2.gz	GTBDPLQUZHAUNN-MSLLRLGPSA-N	1	0	497.083	4.357	1	0		JIAFRO
O=S(=O)(c1ccccc1Cl)N1CCC([NH+]2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1	ZINC000029125831	563094872	/nfs/dbraw/zinc/09/48/72/563094872.db2.gz	ZHQNXKBHPRPFLN-UHFFFAOYSA-N	1	0	487.424	4.269	1	0		JIAFRO
Cc1nc2cc3c(cc2o1)CC[N@@H+](CCCCSc1nnc(-c2ocnc2C)n1C)CC3	ZINC000029127421	563095702	/nfs/dbraw/zinc/09/57/02/563095702.db2.gz	BDRCTGAXOWRNQU-UHFFFAOYSA-N	1	0	452.584	4.201	1	0		JIAFRO
Cc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCC[NH+]5CCC(O)CC5)c43)cc2Cl)cn1	ZINC000029128957	563096558	/nfs/dbraw/zinc/09/65/58/563096558.db2.gz	UWUFUUGZSOQBCY-UHFFFAOYSA-N	1	0	495.971	4.081	1	0		JIAFRO
Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1	ZINC000029135641	563098141	/nfs/dbraw/zinc/09/81/41/563098141.db2.gz	BAOSLOOKYHKWIN-YADHBBJMSA-N	1	0	461.528	4.269	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH+](C)C)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1C(F)(F)F	ZINC000029412769	563103383	/nfs/dbraw/zinc/10/33/83/563103383.db2.gz	YUCALJHIDGBATH-ABDBUPHLSA-N	1	0	470.488	4.075	1	0		JIAFRO
CC[NH+](CC)C[C@H]1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc21	ZINC000029462318	563103875	/nfs/dbraw/zinc/10/38/75/563103875.db2.gz	NQUYEGAGAHPKQI-GOSISDBHSA-N	1	0	455.990	4.162	1	0		JIAFRO
CCOc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1	ZINC000034377035	563113467	/nfs/dbraw/zinc/11/34/67/563113467.db2.gz	COPATRABLBBGEU-VWLOTQADSA-N	1	0	459.546	4.242	1	0		JIAFRO
O=C1CNC(=O)N1CCCCCC[N@@H+]1CC[C@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1	ZINC000036093051	563122127	/nfs/dbraw/zinc/12/21/27/563122127.db2.gz	VGQADOOVESUGBM-URXFXBBRSA-N	1	0	468.548	4.387	1	0		JIAFRO
O=C(CCN1C(=O)c2ccccc2C1=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1	ZINC000036216360	563124333	/nfs/dbraw/zinc/12/43/33/563124333.db2.gz	GWKFNZOFADNDJH-UHFFFAOYSA-N	1	0	481.596	4.413	1	0		JIAFRO
CCOC[C@H]([NH3+])c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1	ZINC000036285556	563125238	/nfs/dbraw/zinc/12/52/38/563125238.db2.gz	ZYHGFQPNDQFGAH-NRFANRHFSA-N	1	0	468.400	4.450	1	0		JIAFRO
CCNC(=O)c1cc2c(nc(N)nc2-c2cc(O[C@@H]3CC[N@H+](CC)C3)c(Cl)cc2Cl)s1	ZINC000036487435	563130591	/nfs/dbraw/zinc/13/05/91/563130591.db2.gz	MAAXOLHHGIZKTM-LLVKDONJSA-N	1	0	480.421	4.470	1	0		JIAFRO
CC[NH+](CC)CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1	ZINC000038140983	563131240	/nfs/dbraw/zinc/13/12/40/563131240.db2.gz	YDJACBDTHCTAMI-MFEFFIJZSA-N	1	0	496.098	4.154	1	0		JIAFRO
COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)cc2)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000038240569	563133471	/nfs/dbraw/zinc/13/34/71/563133471.db2.gz	JQYFIRSOYLCOEF-CALCHBBNSA-N	1	0	457.621	4.411	1	0		JIAFRO
Cc1ccccc1C(=O)N1CCC([NH+]2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1	ZINC000040394855	563138956	/nfs/dbraw/zinc/13/89/56/563138956.db2.gz	FSFHENORZFDCAB-UHFFFAOYSA-N	1	0	452.986	4.233	1	0		JIAFRO
CN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)[C@@H](c1ccc(F)c(F)c1)N1CCCC1	ZINC000040401445	563139459	/nfs/dbraw/zinc/13/94/59/563139459.db2.gz	QWGGGPZPGZEDSN-AREMUKBSSA-N	1	0	483.603	4.472	1	0		JIAFRO
C[N@@H+](CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21	ZINC000040423455	563142387	/nfs/dbraw/zinc/14/23/87/563142387.db2.gz	VWHKZURJHYEPPX-UHFFFAOYSA-N	1	0	481.600	4.396	1	0		JIAFRO
COc1cc(-c2ccc3c(c2)[nH]nc3-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)ccc1O	ZINC000040916246	563155661	/nfs/dbraw/zinc/15/56/61/563155661.db2.gz	KKMLIJHOUUKCSW-UHFFFAOYSA-N	1	0	454.534	4.239	1	0	in-vitro	JIAFRO
COc1cc(C(=O)Nc2ccccc2-c2cn3cc(C[NH+](C)C)sc3n2)cc(OC)c1OC	ZINC000040951382	563159641	/nfs/dbraw/zinc/15/96/41/563159641.db2.gz	RTHZXWDQJBZVPR-UHFFFAOYSA-N	1	0	466.563	4.403	1	0		JIAFRO
COc1cccc([C@]2(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1	ZINC000040973793	563161565	/nfs/dbraw/zinc/16/15/65/563161565.db2.gz	XSYXVRSGXZPMBZ-XMMPIXPASA-N	1	0	471.395	4.044	1	0		JIAFRO
Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1	ZINC000045188210	563174664	/nfs/dbraw/zinc/17/46/64/563174664.db2.gz	PYTVXYDPNWMFEK-UHFFFAOYSA-N	1	0	468.536	4.289	1	0		JIAFRO
O=C(NCCc1ccccc1F)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000045191384	563175785	/nfs/dbraw/zinc/17/57/85/563175785.db2.gz	PASKVCKATOGAGF-UHFFFAOYSA-N	1	0	483.385	4.282	1	0		JIAFRO
COc1ccc(C[NH2+]Cc2ccccc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1	ZINC000045201065	563177942	/nfs/dbraw/zinc/17/79/42/563177942.db2.gz	IIFDKXPJGIOZAR-UHFFFAOYSA-N	1	0	485.675	4.088	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)s1	ZINC000045325196	563189357	/nfs/dbraw/zinc/18/93/57/563189357.db2.gz	VZNKDMFKVQQTAS-UHFFFAOYSA-N	1	0	455.649	4.079	1	0		JIAFRO
CCCC[NH+]1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1	ZINC000045336567	563190315	/nfs/dbraw/zinc/19/03/15/563190315.db2.gz	WXPYTMJOYLOZQS-UHFFFAOYSA-N	1	0	479.383	4.222	1	0		JIAFRO
C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2ccccc2)C1	ZINC000045338018	563190693	/nfs/dbraw/zinc/19/06/93/563190693.db2.gz	KMSVWMVTLQDFRV-DSITVLBTSA-N	1	0	488.673	4.080	1	0		JIAFRO
Cc1[nH]nc2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12	ZINC000045358429	563192697	/nfs/dbraw/zinc/19/26/97/563192697.db2.gz	FULBTJANHDAKTA-SFHVURJKSA-N	1	0	465.517	4.413	1	0		JIAFRO
CN(C(=O)[C@H]1CN(S(=O)(=O)c2cccc3c(Cl)cccc32)c2ccccc21)C1CC[NH+](C)CC1	ZINC000049047148	563199543	/nfs/dbraw/zinc/19/95/43/563199543.db2.gz	VCTMDBUJYNNLFY-QFIPXVFZSA-N	1	0	498.048	4.338	1	0		JIAFRO
Cc1cccc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]2C1	ZINC000049783870	563203634	/nfs/dbraw/zinc/20/36/34/563203634.db2.gz	XZRAIWIOQOHJQY-NXCFDTQHSA-N	1	0	459.634	4.355	1	0		JIAFRO
NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1	ZINC000053093616	563205006	/nfs/dbraw/zinc/20/50/06/563205006.db2.gz	LIDNJZKMWRAZAQ-RBUKOAKNSA-N	1	0	487.444	4.015	1	0		JIAFRO
O=C1[C@H]2[C@@H](c3ccccc3)[NH2+][C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]2C(=O)N1Cc1ccccc1	ZINC000061921249	563211018	/nfs/dbraw/zinc/21/10/18/563211018.db2.gz	YFYMKFKGYYKRNI-VIDGLSEISA-N	1	0	485.628	4.074	3	0		JIAFRO
COc1c2c(c(CC[NH+](C)C)c(Br)n2OC)c(Br)cc1Br	ZINC000013407465	562962281	/nfs/dbraw/zinc/96/22/81/562962281.db2.gz	KPTXBOJWIDAMOS-UHFFFAOYSA-N	1	0	485.014	4.100	1	0		JIAFRO
COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1N1CC[NH+](C)CC1	ZINC000000587807	562918081	/nfs/dbraw/zinc/91/80/81/562918081.db2.gz	HTPUNSOMSVSTME-UHFFFAOYSA-N	1	0	465.573	4.479	1	0		JIAFRO
COc1cccc(C(=O)c2sc(Nc3ccc(N4CC[NH+](C(C)C)CC4)cc3)nc2N)c1	ZINC000003816289	562928910	/nfs/dbraw/zinc/92/89/10/562928910.db2.gz	ULASOGJPQQFWKK-UHFFFAOYSA-N	1	0	451.596	4.239	1	0		JIAFRO
c1cn(-c2ccc(OCC[NH+](Cc3ccc4c(c3)OCO4)Cc3ccc4c(c3)OCO4)cc2)cn1	ZINC000003819342	562929193	/nfs/dbraw/zinc/92/91/93/562929193.db2.gz	WPWUABDSYBUYSZ-UHFFFAOYSA-N	1	0	471.513	4.411	1	0		JIAFRO
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1	ZINC000003989329	562931681	/nfs/dbraw/zinc/93/16/81/562931681.db2.gz	PXLJHQVPKCBLFJ-PMACEKPBSA-N	1	0	467.919	4.306	1	0		JIAFRO
O=c1[nH]c(NCCC[NH2+][C@@H]2CCNc3c(Cl)cc(Br)cc32)nc2ccccc12	ZINC000004830986	562933785	/nfs/dbraw/zinc/93/37/85/562933785.db2.gz	ZIUQHDNJQSKCGQ-MRXNPFEDSA-N	1	0	462.779	4.288	1	0		JIAFRO
CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2	ZINC000011995313	562958232	/nfs/dbraw/zinc/95/82/32/562958232.db2.gz	CRHYWTDXRLAQQI-SXOMAYOGSA-N	1	0	482.584	4.499	1	0		JIAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2cc(Nc3cc(C(F)(F)F)ccc3F)ncn2)cc1	ZINC000013537907	562972841	/nfs/dbraw/zinc/97/28/41/562972841.db2.gz	OSCWQKTUILTARV-INIZCTEOSA-N	1	0	465.451	4.423	1	0		JIAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c(n(Cc4ccccc4)c1[C@@H]3O5)CCCC2	ZINC000013586588	562976718	/nfs/dbraw/zinc/97/67/18/562976718.db2.gz	IEAHEBXTBRYCRM-QVDUQQMDSA-N	1	0	468.597	4.040	1	0		JIAFRO
C[NH+]1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc65)CC4)cc32)CC1	ZINC000013606633	562978830	/nfs/dbraw/zinc/97/88/30/562978830.db2.gz	YQYCCALLKWCCSO-UHFFFAOYSA-N	1	0	494.639	4.472	1	0		JIAFRO
Cc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F	ZINC000013609640	562979168	/nfs/dbraw/zinc/97/91/68/562979168.db2.gz	GYGHMJHBRABFSY-QHCPKHFHSA-N	1	0	479.502	4.459	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C(C)C)[NH+](C)C)c2=O)c1F	ZINC000013609609	562979177	/nfs/dbraw/zinc/97/91/77/562979177.db2.gz	IUUXBYBDVNIRQO-NRFANRHFSA-N	1	0	489.538	4.046	1	0		JIAFRO
CC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2F)cc1	ZINC000013643377	562980514	/nfs/dbraw/zinc/98/05/14/562980514.db2.gz	AHHUNHJRGPZSCF-UHFFFAOYSA-N	1	0	490.579	4.447	1	0		JIAFRO
COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000013756903	562988849	/nfs/dbraw/zinc/98/88/49/562988849.db2.gz	NEMKRNRSIHZCJI-IBGZPJMESA-N	1	0	455.986	4.482	1	0		JIAFRO
C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(C(F)(F)F)cc32)C[C@H](C)[N@H+]1C	ZINC000013796065	562993083	/nfs/dbraw/zinc/99/30/83/562993083.db2.gz	NGPIPKTZYKYXSN-GASCZTMLSA-N	1	0	493.530	4.311	1	0		JIAFRO
COC(=O)C[C@]1(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000013799258	562993637	/nfs/dbraw/zinc/99/36/37/562993637.db2.gz	ZQXFXKCGLPBESS-MHZLTWQESA-N	1	0	470.529	4.011	1	0		JIAFRO
O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1	ZINC000013819798	562997303	/nfs/dbraw/zinc/99/73/03/562997303.db2.gz	CCRVXKJAWVLEMD-OAQYLSRUSA-N	1	0	471.598	4.394	1	0		JIAFRO
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C	ZINC000014967511	563009416	/nfs/dbraw/zinc/00/94/16/563009416.db2.gz	SLCBURKXFKCBTM-VZVHPENPSA-N	1	0	494.717	4.336	1	0		JIAFRO
O[C@@H](COc1cccc2ncccc21)CN1CC[NH+]([C@H](c2cccs2)c2ccccc2)CC1	ZINC000022934353	563018796	/nfs/dbraw/zinc/01/87/96/563018796.db2.gz	MKUYHJWPFUGRPG-AMGIVPHBSA-N	1	0	459.615	4.443	1	0		JIAFRO
Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)c1C	ZINC000025969172	563020657	/nfs/dbraw/zinc/02/06/57/563020657.db2.gz	HSMFYEJVQNFBSX-BDYUSTAISA-N	1	0	455.602	4.070	1	0		JIAFRO
Cc1[nH]c2c(c1-c1ccccc1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CC1)[C@H]2O5	ZINC000026157070	563022628	/nfs/dbraw/zinc/02/26/28/563022628.db2.gz	AMYXFPWDUQANPV-KZNIJNHCSA-N	1	0	454.570	4.395	1	0		JIAFRO
COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2Cl)cc1	ZINC000026377798	563026407	/nfs/dbraw/zinc/02/64/07/563026407.db2.gz	QCAXTYJADIUOIS-QHCPKHFHSA-N	1	0	458.002	4.056	1	0		JIAFRO
CC[C@H](C)[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCCC[NH3+])N(Cc2ccccc2)C1=O	ZINC000026388321	563027119	/nfs/dbraw/zinc/02/71/19/563027119.db2.gz	RVLUTGXAUACHNI-FTBPSBKWSA-N	1	0	478.637	4.070	1	0		JIAFRO
Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1	ZINC000026727573	563034061	/nfs/dbraw/zinc/03/40/61/563034061.db2.gz	KGCXXBXMVBYUPH-UHFFFAOYSA-N	1	0	456.955	4.153	1	0		JIAFRO
CCc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC	ZINC000026830490	563036302	/nfs/dbraw/zinc/03/63/02/563036302.db2.gz	OWEBPOZOUHRVAW-SQHAQQRYSA-N	1	0	482.646	4.496	1	0		JIAFRO
O=C1CCc2c1c(OC[C@@H](O)C[NH+]1CCC3(CC1)OCc1c3ccc3ccccc13)ccc2F	ZINC000026961331	563038090	/nfs/dbraw/zinc/03/80/90/563038090.db2.gz	ZAPJYPXIPRXXNB-IBGZPJMESA-N	1	0	461.533	4.369	1	0		JIAFRO
CC1(C)CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)C1=O	ZINC000027206189	563041672	/nfs/dbraw/zinc/04/16/72/563041672.db2.gz	RYQPJXOPUYSISP-JOCHJYFZSA-N	1	0	462.590	4.478	1	0		JIAFRO
Cc1cccc([C@@](O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1	ZINC000028359932	563061602	/nfs/dbraw/zinc/06/16/02/563061602.db2.gz	QEMMYSSVUOEYGR-GDLZYMKVSA-N	1	0	492.685	4.232	1	0		JIAFRO
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C)C2)C1	ZINC000028393982	563063738	/nfs/dbraw/zinc/06/37/38/563063738.db2.gz	XNCXMOJZOJYPBA-RBUKOAKNSA-N	1	0	494.583	4.336	1	0		JIAFRO
COc1cccc(-c2ccc(CC(=O)NC3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)c1	ZINC000028457829	563064285	/nfs/dbraw/zinc/06/42/85/563064285.db2.gz	IYYOXVFZICYJPU-UHFFFAOYSA-N	1	0	458.558	4.414	1	0		JIAFRO
CC[C@@H](C)c1ncc(C[NH2+]CCOC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569225	563070369	/nfs/dbraw/zinc/07/03/69/563070369.db2.gz	RVFSZFLJRWJHQF-CYBMUJFWSA-N	1	0	453.427	4.434	1	0		JIAFRO
C[C@H](Nc1c(-c2c(F)cc(OCC[NH+](C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000028604436	563071695	/nfs/dbraw/zinc/07/16/95/563071695.db2.gz	FDKOUKLCYAUQES-VIFPVBQESA-N	1	0	464.826	4.026	1	0		JIAFRO
Cc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)NCCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028711970	563076773	/nfs/dbraw/zinc/07/67/73/563076773.db2.gz	ZSIPLKUUXBKNRJ-UHFFFAOYSA-N	1	0	466.973	4.055	1	0		JIAFRO
Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccn4C)n2C)CC3)no1	ZINC000028712471	563077055	/nfs/dbraw/zinc/07/70/55/563077055.db2.gz	AZIHSCHAYYVWIY-UHFFFAOYSA-N	1	0	462.623	4.367	1	0		JIAFRO
CCCC[NH2+][C@H](C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1	ZINC000028827381	563083078	/nfs/dbraw/zinc/08/30/78/563083078.db2.gz	IYODMMGZTGSKGN-KDOFPFPSSA-N	1	0	452.571	4.338	1	0		JIAFRO
O=C1C2=C(CCCC2)C(=O)N1C1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000028876265	563084479	/nfs/dbraw/zinc/08/44/79/563084479.db2.gz	RERVVDVRYYKMKB-UHFFFAOYSA-N	1	0	461.528	4.378	1	0		JIAFRO
FC(F)(F)c1ccccc1O[C@H](c1cccc(I)c1)[C@@H]1C[NH2+]CCO1	ZINC000028881203	563084731	/nfs/dbraw/zinc/08/47/31/563084731.db2.gz	SQWQWSORIRRKHB-DLBZAZTESA-N	1	0	463.237	4.419	1	0		JIAFRO
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[NH2+]C[C@@H](O)c3ccccc3)sc21	ZINC000028901279	563086235	/nfs/dbraw/zinc/08/62/35/563086235.db2.gz	RSGBQWPTYLNRRB-JOCHJYFZSA-N	1	0	482.005	4.007	1	0		JIAFRO
O=C(N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)C(F)(F)F	ZINC000029038581	563090757	/nfs/dbraw/zinc/09/07/57/563090757.db2.gz	ZUJPXZIUFHGAJI-HXUWFJFHSA-N	1	0	474.552	4.327	1	0		JIAFRO
CC[C@@H]1CCC[C@H](C2(CC(=O)N3CCC4(CC[NH2+]4)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000029038552	563090767	/nfs/dbraw/zinc/09/07/67/563090767.db2.gz	HFBWMSOJXRBXJD-IFMALSPDSA-N	1	0	494.101	4.187	1	0		JIAFRO
C[C@@]1(c2ccc(F)cc2)CC(=O)N(CCCC[NH+]2CCN(c3nsc4ccccc43)CC2)C1=O	ZINC000029248364	563099446	/nfs/dbraw/zinc/09/94/46/563099446.db2.gz	QJJHAAPWLZCIHS-SANMLTNESA-N	1	0	480.609	4.054	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH+]2CCCC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000029416635	563103739	/nfs/dbraw/zinc/10/37/39/563103739.db2.gz	XGOLKEZBXQBZSX-PZJQAWQVSA-N	1	0	462.974	4.244	1	0		JIAFRO
Cc1cccc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)c3ccoc3)c3ccccc3)C[C@@H]2C1	ZINC000035822273	563120584	/nfs/dbraw/zinc/12/05/84/563120584.db2.gz	VVFJBOAJQRQKHT-NXCFDTQHSA-N	1	0	471.601	4.462	1	0		JIAFRO
CC[C@H](c1nc2c(C)nsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000035836807	563120625	/nfs/dbraw/zinc/12/06/25/563120625.db2.gz	QIBMSVGGTFHTPJ-JOCHJYFZSA-N	1	0	489.645	4.460	1	0		JIAFRO
C[NH+](C)[C@@H]1CCc2cc(N3CC[C@H](NS(=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O)ccc21	ZINC000035834638	563120695	/nfs/dbraw/zinc/12/06/95/563120695.db2.gz	DBFTVRMJVISJEX-BJKOFHAPSA-N	1	0	484.021	4.126	1	0	in-vitro	JIAFRO
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@@H+]2CCO)c1	ZINC000036093279	563122199	/nfs/dbraw/zinc/12/21/99/563122199.db2.gz	AEEJHYWVYVJIRH-OFVILXPXSA-N	1	0	455.574	4.246	1	0		JIAFRO
Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCC(=O)N4CC3CC3)CC2)n1	ZINC000040395180	563139116	/nfs/dbraw/zinc/13/91/16/563139116.db2.gz	VCTIQXJXIBDCGH-UHFFFAOYSA-N	1	0	456.590	4.043	1	0		JIAFRO
COc1ccc2[nH]cc(CCC[N@H+](C3CCC3)[C@H]3COc4c(F)ccc(C(N)=O)c4C3)c2c1	ZINC000040413644	563141123	/nfs/dbraw/zinc/14/11/23/563141123.db2.gz	WNAOOYIEDUVWJW-GOSISDBHSA-N	1	0	451.542	4.205	1	0	in-vitro	JIAFRO
Cc1cc(C(=O)Nc2ccc(C[NH2+]CCO)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C	ZINC000040972632	563161392	/nfs/dbraw/zinc/16/13/92/563161392.db2.gz	QCVJLFVDIQWZNQ-UHFFFAOYSA-N	1	0	471.001	4.262	1	0		JIAFRO
C[N@@H+]1CCC[C@H](COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1	ZINC000043014111	563164467	/nfs/dbraw/zinc/16/44/67/563164467.db2.gz	JXOWCQWEUUTKGW-HNNXBMFYSA-N	1	0	499.247	4.233	1	0		JIAFRO
COc1cccc(NC(=S)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccccc3)cc2)c1	ZINC000043017351	563164652	/nfs/dbraw/zinc/16/46/52/563164652.db2.gz	AQIABZRVTYPRIL-QFIPXVFZSA-N	1	0	451.592	4.076	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)cc1F	ZINC000045190325	563175589	/nfs/dbraw/zinc/17/55/89/563175589.db2.gz	JWEKBAMNFWCBRG-UHFFFAOYSA-N	1	0	485.600	4.296	1	0		JIAFRO
c1cc(-c2ccc(C[NH+]3CCN(CCN4CCOCC4)CC3)cc2)sc1-c1nc2ccccc2[nH]1	ZINC000045228248	563180407	/nfs/dbraw/zinc/18/04/07/563180407.db2.gz	XCWIYZUQFJQKOI-UHFFFAOYSA-N	1	0	487.673	4.408	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCCc2ccccn2)[nH+]1	ZINC000045321952	563188332	/nfs/dbraw/zinc/18/83/32/563188332.db2.gz	PZYDNFAQCVXPEL-DEOSSOPVSA-N	1	0	452.562	4.497	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5c([nH]4)c(F)ccc5F)CC3)c2c1	ZINC000045334329	563189375	/nfs/dbraw/zinc/18/93/75/563189375.db2.gz	RYZCSZIMMVXIGD-VWLOTQADSA-N	1	0	466.532	4.291	1	0		JIAFRO
C[N@@H+]1CCC[C@H]1CCNc1ncc(C(=O)NCc2ccccc2)c(NCC2CCCCC2)n1	ZINC000045373388	563193920	/nfs/dbraw/zinc/19/39/20/563193920.db2.gz	SBTJQWQTXADZAD-QFIPXVFZSA-N	1	0	450.631	4.295	1	0		JIAFRO
CC(C)([NH3+])Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1	ZINC000049014167	563197085	/nfs/dbraw/zinc/19/70/85/563197085.db2.gz	RECHLGGTCHLDFL-UHFFFAOYSA-N	1	0	452.580	4.089	1	0		JIAFRO
C[NH+](C)CCCNC(=O)c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2	ZINC000049032268	563197906	/nfs/dbraw/zinc/19/79/06/563197906.db2.gz	MUVYYVZAJFICKR-LJQANCHMSA-N	1	0	461.591	4.087	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3cccc(OC(F)(F)F)c3)C2)n1C	ZINC000049047053	563199522	/nfs/dbraw/zinc/19/95/22/563199522.db2.gz	MGPVNTUQZHCXQW-HRAATJIYSA-N	1	0	479.528	4.433	1	0		JIAFRO
COCCCC[NH+]1CCN(c2nc3ncn(C)c3c(Nc3cc(C(C)(C)C)ccc3C)n2)CC1	ZINC000049055474	563200549	/nfs/dbraw/zinc/20/05/49/563200549.db2.gz	VZCLFPVBUQIVMT-UHFFFAOYSA-N	1	0	465.646	4.261	1	0		JIAFRO
COc1cc2c(cc1N1C[C@@H](C)[NH2+]C(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2	ZINC000052637058	563204840	/nfs/dbraw/zinc/20/48/40/563204840.db2.gz	KLDVNFOSTFVUQM-QGZVFWFLSA-N	1	0	498.674	4.147	1	0		JIAFRO
CC[C@H](C)[C@H](NC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccc(Cl)cc2)CC1)C(=O)OC	ZINC000058502225	563206679	/nfs/dbraw/zinc/20/66/79/563206679.db2.gz	PEZIVNYIFQKXIF-DZFGPLHGSA-N	1	0	450.023	4.485	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C(C)(C)CO)c2)CCCCC1	ZINC000058534688	563206943	/nfs/dbraw/zinc/20/69/43/563206943.db2.gz	AMEOCKPYHSSHSL-IZZNHLLZSA-N	1	0	488.619	4.092	1	0		JIAFRO
Cc1sc2nc(SCCC[NH+]3CCN(c4ccc5ccccc5n4)CC3)[nH]c(=O)c2c1C	ZINC000059856000	563209382	/nfs/dbraw/zinc/20/93/82/563209382.db2.gz	DWCWRMNZCYONIV-UHFFFAOYSA-N	1	0	465.648	4.454	1	0		JIAFRO
COc1cccc(OC)c1OCC[NH+]1CCC(C(=O)N[C@H](c2ccccc2)c2ncccc2C)CC1	ZINC000061907816	563210663	/nfs/dbraw/zinc/21/06/63/563210663.db2.gz	OBGBCEFEESFOKT-HHHXNRCGSA-N	1	0	489.616	4.404	3	0		JIAFRO
O=c1[nH]c(NCCC[NH2+][C@H]2CCNc3c(Cl)cc(Br)cc32)nc2ccccc12	ZINC000001549808	562921202	/nfs/dbraw/zinc/92/12/02/562921202.db2.gz	ZIUQHDNJQSKCGQ-INIZCTEOSA-N	1	0	462.779	4.288	1	0		JIAFRO
CC(C)n1nc(C(=O)NCC[NH+]2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c2ccccc21	ZINC000003824926	562929426	/nfs/dbraw/zinc/92/94/26/562929426.db2.gz	QEZYDSSGVBTNBH-UHFFFAOYSA-N	1	0	491.680	4.144	1	0		JIAFRO
C[C@H](Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1	ZINC000003987632	562931614	/nfs/dbraw/zinc/93/16/14/562931614.db2.gz	QHXSVDZSGRYWKE-BCRFLOQVSA-N	1	0	487.600	4.111	1	0		JIAFRO
CCOC(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1	ZINC000006577745	562937845	/nfs/dbraw/zinc/93/78/45/562937845.db2.gz	AUGUBBXUTRDLNA-IBGZPJMESA-N	1	0	489.016	4.253	3	0		JIAFRO
CCc1noc(C)c1C(=O)N1CCOc2ccc(C[N@@H+]3CCC[C@H](C(=O)c4cccnc4)C3)cc2C1	ZINC000012048608	562958905	/nfs/dbraw/zinc/95/89/05/562958905.db2.gz	AXFAPXKDTKSIAV-QFIPXVFZSA-N	1	0	488.588	4.070	1	0		JIAFRO
COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C(C)C)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1	ZINC000012466681	562960101	/nfs/dbraw/zinc/96/01/01/562960101.db2.gz	RGCKDQJBGVGRRL-PMWMKWCKSA-N	1	0	468.686	4.483	3	0		JIAFRO
COc1cc(Oc2nc(Oc3cccc(C(=O)N(C)C)c3)c(F)c(C)c2F)cc(C(N)=[NH2+])c1	ZINC000013474053	562966606	/nfs/dbraw/zinc/96/66/06/562966606.db2.gz	CVHZIWUEEAYBQL-UHFFFAOYSA-N	1	0	456.449	4.247	1	0		JIAFRO
Cn1nccc1-c1ccc2c(c1)c(C1CC[NH+](CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1	ZINC000013493008	562970032	/nfs/dbraw/zinc/97/00/32/562970032.db2.gz	YMAOXQVSFQEHJK-UHFFFAOYSA-N	1	0	486.595	4.375	1	0		JIAFRO
Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(C[NH3+])c2)n1	ZINC000013529537	562972106	/nfs/dbraw/zinc/97/21/06/562972106.db2.gz	QUWOWSNMEUHYIY-UHFFFAOYSA-N	1	0	478.549	4.101	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[N@H+](C)CC3CC3)c2=O)c1	ZINC000013553295	562973233	/nfs/dbraw/zinc/97/32/33/562973233.db2.gz	OKPAYFFQWSXKKJ-QGZVFWFLSA-N	1	0	483.559	4.223	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1	ZINC000013609617	562979125	/nfs/dbraw/zinc/97/91/25/562979125.db2.gz	SPHKXPKCNHWKFN-DEOSSOPVSA-N	1	0	477.511	4.021	1	0		JIAFRO
COc1cc(NC(=O)C2CCCC2)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000013756904	562988759	/nfs/dbraw/zinc/98/87/59/562988759.db2.gz	NEMKRNRSIHZCJI-LJQANCHMSA-N	1	0	455.986	4.482	1	0		JIAFRO
Nc1nccc(Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc2)n1	ZINC000014957528	563007956	/nfs/dbraw/zinc/00/79/56/563007956.db2.gz	CIKVOSWVTAMFQS-FQEVSTJZSA-N	1	0	451.534	4.295	1	0		JIAFRO
CC1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1	ZINC000014969885	563009540	/nfs/dbraw/zinc/00/95/40/563009540.db2.gz	PFZGYKJSYVRLLH-HUASUHLISA-N	1	0	456.671	4.489	1	0		JIAFRO
CN1c2ccccc2[C@@H]2SC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)=C[C@@H]2C1=O	ZINC000020105140	563015631	/nfs/dbraw/zinc/01/56/31/563015631.db2.gz	ZMZCTIPQOIUGBY-DHLKQENFSA-N	1	0	461.631	4.022	1	0		JIAFRO
C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1	ZINC000022794841	563017216	/nfs/dbraw/zinc/01/72/16/563017216.db2.gz	JHMBUEWQJDGKGS-UHFFFAOYSA-N	1	0	479.588	4.282	1	0	in-vivo	JIAFRO
O[C@@H](COc1ccc2cccnc2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022934080	563018643	/nfs/dbraw/zinc/01/86/43/563018643.db2.gz	HKYYWQRYCVLVFC-AREMUKBSSA-N	1	0	453.586	4.382	1	0		JIAFRO
C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)cnc3Cl)cc2)CC1	ZINC000022935319	563018940	/nfs/dbraw/zinc/01/89/40/563018940.db2.gz	VTIOFDJDUXUMLQ-UHFFFAOYSA-N	1	0	464.953	4.130	1	0		JIAFRO
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[NH2+]Cc3ccccc3)c2=O)c1	ZINC000026168060	563023094	/nfs/dbraw/zinc/02/30/94/563023094.db2.gz	QVNVQUHFYPUWFC-UHFFFAOYSA-N	1	0	491.538	4.110	1	0		JIAFRO
CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OC1CCCCC1)C(=[NH2+])N2)C1CCCCC1	ZINC000026257182	563024599	/nfs/dbraw/zinc/02/45/99/563024599.db2.gz	KOYGDVZTTWVMNV-UHFFFAOYSA-N	1	0	484.641	4.274	1	0		JIAFRO
CCCCNC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(F)cc2S[C@H]1c1ccc(OC)cc1	ZINC000027736882	563051000	/nfs/dbraw/zinc/05/10/00/563051000.db2.gz	LCMWXUDAUUSJAA-GOTSBHOMSA-N	1	0	489.613	4.471	1	0		JIAFRO
CC[NH+]1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1	ZINC000027994067	563054092	/nfs/dbraw/zinc/05/40/92/563054092.db2.gz	FMNZYKRFEJMYLF-HHHXNRCGSA-N	1	0	467.057	4.189	1	0		JIAFRO
CC(C)([NH3+])C(=O)N[C@H](CCC1CCCCC1)C(=O)N1CCC2(CSc3ccccc32)CC1	ZINC000028258166	563059337	/nfs/dbraw/zinc/05/93/37/563059337.db2.gz	DWKDEGCIWXGQJG-OAQYLSRUSA-N	1	0	457.684	4.235	1	0		JIAFRO
CCc1cc(NC(=O)NC[C@H]2CCC[N@H+](CCCc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1	ZINC000028342614	563060517	/nfs/dbraw/zinc/06/05/17/563060517.db2.gz	ZNHOHPSHSBMVBS-OAQYLSRUSA-N	1	0	479.604	4.045	1	0		JIAFRO
O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1C[C@@H]([NH+]1CCCC1)C2	ZINC000028367239	563062127	/nfs/dbraw/zinc/06/21/27/563062127.db2.gz	OUBAYTQKDFOKLY-FQEVSTJZSA-N	1	0	457.509	4.183	1	0		JIAFRO
CC(C)(C)c1ccn(CCCC[NH+]2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)n1	ZINC000028569177	563070281	/nfs/dbraw/zinc/07/02/81/563070281.db2.gz	YVXCFLFONVBIJR-UHFFFAOYSA-N	1	0	494.606	4.250	1	0		JIAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc3c(cc2C1)OCO3	ZINC000028766500	563078716	/nfs/dbraw/zinc/07/87/16/563078716.db2.gz	NICLIIXTMHASHP-NRFANRHFSA-N	1	0	455.551	4.249	1	0		JIAFRO
FC(F)(F)c1ccccc1O[C@@H](c1cccc(I)c1)[C@@H]1C[NH2+]CCO1	ZINC000028881210	563084768	/nfs/dbraw/zinc/08/47/68/563084768.db2.gz	SQWQWSORIRRKHB-IRXDYDNUSA-N	1	0	463.237	4.419	1	0		JIAFRO
[NH3+]CCCCOCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12	ZINC000028901066	563086071	/nfs/dbraw/zinc/08/60/71/563086071.db2.gz	MRDZXMOZCRVRBY-UHFFFAOYSA-N	1	0	459.529	4.266	1	0		JIAFRO
[NH3+]C1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1	ZINC000028903177	563086337	/nfs/dbraw/zinc/08/63/37/563086337.db2.gz	MUDNFYFQYCKQEI-UHFFFAOYSA-N	1	0	463.973	4.023	1	0		JIAFRO
CC(=O)c1sc(NC(=O)N[C@@H]2COCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975161	563090055	/nfs/dbraw/zinc/09/00/55/563090055.db2.gz	JMTZNRURKTUFTP-JAXLGGSGSA-N	1	0	488.629	4.275	1	0		JIAFRO
CC[C@@H]1CCC[C@H](C2(CC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000029038558	563090751	/nfs/dbraw/zinc/09/07/51/563090751.db2.gz	SVZZYOGCUPHRBU-CUDBPUKSSA-N	1	0	494.101	4.137	1	0		JIAFRO
O=C(N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)C(F)(F)F	ZINC000029038583	563090787	/nfs/dbraw/zinc/09/07/87/563090787.db2.gz	ZUJPXZIUFHGAJI-FQEVSTJZSA-N	1	0	474.552	4.327	1	0		JIAFRO
Cc1nc2cc3c(cc2s1)CC[N@@H+](CCCSc1nnc(-c2ocnc2C)n1C)CC3	ZINC000029126801	563095316	/nfs/dbraw/zinc/09/53/16/563095316.db2.gz	GNAFTHDBPJUMAT-UHFFFAOYSA-N	1	0	454.625	4.280	1	0		JIAFRO
CCOC(=O)C1=C(COCC[NH+](C)C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1C(F)(F)F	ZINC000029412767	563103399	/nfs/dbraw/zinc/10/33/99/563103399.db2.gz	YUCALJHIDGBATH-QGWGWZPUSA-N	1	0	470.488	4.075	1	0		JIAFRO
CCOC(=O)C1=C(COCCC[NH+](C)C)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000029463851	563103978	/nfs/dbraw/zinc/10/39/78/563103978.db2.gz	XWQDOIKQJOXMTM-VLMSHNLISA-N	1	0	450.963	4.100	1	0		JIAFRO
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5Br)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000029468503	563104323	/nfs/dbraw/zinc/10/43/23/563104323.db2.gz	KXQMACNKPIFADJ-UAZYKBCHSA-N	1	0	493.401	4.335	1	0		JIAFRO
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[NH+](C)C	ZINC000029476310	563104935	/nfs/dbraw/zinc/10/49/35/563104935.db2.gz	MWVZBFNNFYZPSK-SVBPBHIXSA-N	1	0	479.665	4.282	1	0		JIAFRO
Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@H](CCCC[NH3+])C(N)=O)no2)cc1	ZINC000029557418	563106760	/nfs/dbraw/zinc/10/67/60/563106760.db2.gz	DOXWBXDNJLZUBI-JOCHJYFZSA-N	1	0	485.426	4.398	1	0		JIAFRO
O=C(O[C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1)c1ccccc1	ZINC000029560972	563107013	/nfs/dbraw/zinc/10/70/13/563107013.db2.gz	MRYSLFOELZNLKR-QHCPKHFHSA-N	1	0	452.505	4.255	1	0		JIAFRO
COc1ccc(CC2CC[NH+](CCOc3cccc4nc(C)ccc43)CC2)cc1NS(C)(=O)=O	ZINC000034272275	563112885	/nfs/dbraw/zinc/11/28/85/563112885.db2.gz	WTSMHXPVVATNPR-UHFFFAOYSA-N	1	0	483.634	4.257	1	0		JIAFRO
Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O	ZINC000035080009	563118964	/nfs/dbraw/zinc/11/89/64/563118964.db2.gz	MIKIBCYBICWOMD-UHFFFAOYSA-O	1	0	484.620	4.239	1	0		JIAFRO
Cc1noc2c1c(=O)n(C[C@H](C)C[NH+]1CCN(c3cccc(Cl)c3)CC1)nc2-c1ccccc1	ZINC000035080220	563119027	/nfs/dbraw/zinc/11/90/27/563119027.db2.gz	TUGPMTJLOKBGLL-GOSISDBHSA-N	1	0	477.996	4.472	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1	ZINC000035242332	563119390	/nfs/dbraw/zinc/11/93/90/563119390.db2.gz	XWRCSVSWZWMHPY-UHFFFAOYSA-N	1	0	462.569	4.229	1	0		JIAFRO
CC(C)(C)c1nc(N2CC[NH+](CCCCn3cc(Cl)ccc3=O)CC2)cc(C(F)(F)F)n1	ZINC000036089330	563122016	/nfs/dbraw/zinc/12/20/16/563122016.db2.gz	HAQWHYZIBLSPID-UHFFFAOYSA-N	1	0	471.955	4.210	1	0		JIAFRO
C[NH+](C)C[C@@H]1COc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1	ZINC000038149706	563132128	/nfs/dbraw/zinc/13/21/28/563132128.db2.gz	WWPGTYXGCMWETG-QGZVFWFLSA-N	1	0	453.951	4.469	1	0		JIAFRO
[NH3+]CCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1	ZINC000038749490	563135370	/nfs/dbraw/zinc/13/53/70/563135370.db2.gz	ISFCEVMJZSDYRM-UHFFFAOYSA-N	1	0	489.239	4.263	1	0		JIAFRO
[NH3+]C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1	ZINC000040407846	563140360	/nfs/dbraw/zinc/14/03/60/563140360.db2.gz	FLJNUPIJNHQZPV-AWEZNQCLSA-N	1	0	455.381	4.354	1	0		JIAFRO
NC(=O)c1ccc(F)c2c1C[C@@H]([N@H+](CC1CC1)C[C@@H]1CCc3[nH]c4ccc(F)cc4c3C1)CO2	ZINC000040848691	563149711	/nfs/dbraw/zinc/14/97/11/563149711.db2.gz	RBRHSYULRVRCBX-SJLPKXTDSA-N	1	0	465.544	4.366	1	0		JIAFRO
Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@@H]3CCCC[C@@H]3NC(N)=[NH2+])c2c1	ZINC000040872395	563151425	/nfs/dbraw/zinc/15/14/25/563151425.db2.gz	QMDMBZRAKLLSDM-MOPGFXCFSA-N	1	0	451.962	4.050	1	0		JIAFRO
COc1ccc(N(C(=O)c2ccccc2)[C@H](C(=O)N[C@@H](C)C[NH+](C)C)c2ccccc2F)c(OC)c1	ZINC000040914050	563155141	/nfs/dbraw/zinc/15/51/41/563155141.db2.gz	MZAHUXATQGDNPE-SIBVEZHUSA-N	1	0	493.579	4.297	1	0		JIAFRO
C[NH+](C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1	ZINC000040940485	563158977	/nfs/dbraw/zinc/15/89/77/563158977.db2.gz	GDUODBBMCQZPOW-UHFFFAOYSA-N	1	0	467.635	4.274	1	0		JIAFRO
CC[NH2+]C1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1	ZINC000040955332	563160732	/nfs/dbraw/zinc/16/07/32/563160732.db2.gz	MXYAUZSZXRTBLD-UHFFFAOYSA-N	1	0	489.620	4.042	1	0		JIAFRO
CN1CCN(CC(=O)N2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1	ZINC000040957386	563161112	/nfs/dbraw/zinc/16/11/12/563161112.db2.gz	IFUAZAVFTHVAHK-XUWRFTPYSA-N	1	0	486.704	4.031	1	0		JIAFRO
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1[NH3+]	ZINC000042852120	563162977	/nfs/dbraw/zinc/16/29/77/563162977.db2.gz	XNPZZOKPHOMJPJ-UEYLWJOPSA-N	1	0	477.686	4.212	1	0		JIAFRO
COc1nc2c(cc1F)ncc(Cl)c2CCN1CCC([NH2+]Cc2ccc3c(c2)NCCO3)CC1	ZINC000045191214	563175804	/nfs/dbraw/zinc/17/58/04/563175804.db2.gz	HWOIQHMZNYSLRV-UHFFFAOYSA-N	1	0	485.991	4.032	1	0		JIAFRO
Cn1cc(Cn2cnc3cc(C(=O)Nc4ccc(-c5cccc(C[NH+](C)C)c5)cc4)ccc3c2=O)cn1	ZINC000045192158	563176155	/nfs/dbraw/zinc/17/61/55/563176155.db2.gz	JGMUTZQQUOZLPS-UHFFFAOYSA-N	1	0	492.583	4.159	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCCc2cccnc2)[nH+]1	ZINC000045201346	563178174	/nfs/dbraw/zinc/17/81/74/563178174.db2.gz	NZNPIJAFUJZELM-DEOSSOPVSA-N	1	0	452.562	4.497	1	0		JIAFRO
Oc1ccc(CCNc2nc(NCc3ccccc3-c3ccc(F)cc3)nc(N3CC[NH2+]CC3)n2)cc1	ZINC000045202780	563178971	/nfs/dbraw/zinc/17/89/71/563178971.db2.gz	PXSRWUXXHBSUMD-UHFFFAOYSA-N	1	0	499.594	4.060	1	0		JIAFRO
C[N@H+](Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000045253512	563182132	/nfs/dbraw/zinc/18/21/32/563182132.db2.gz	ALMUAFMBTQXABU-SANMLTNESA-N	1	0	497.546	4.314	1	0		JIAFRO
CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1	ZINC000045325165	563189406	/nfs/dbraw/zinc/18/94/06/563189406.db2.gz	ZTCYWBGJEVILTL-UHFFFAOYSA-N	1	0	452.555	4.065	1	0		JIAFRO
Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCC[NH+](C)C)cc2)cc1	ZINC000045386190	563194464	/nfs/dbraw/zinc/19/44/64/563194464.db2.gz	ULMATNZPCFAVOM-DEOSSOPVSA-N	1	0	480.630	4.130	1	0		JIAFRO
CCOc1cc(C[NH+]2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC	ZINC000049020167	563197557	/nfs/dbraw/zinc/19/75/57/563197557.db2.gz	KLQBJPKPQBLAOR-UHFFFAOYSA-N	1	0	473.595	4.105	1	0	in-vitro	JIAFRO
O=S(=O)(Nc1ccc2c(c1)CC[N@@H+](Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1	ZINC000049110654	563202233	/nfs/dbraw/zinc/20/22/33/563202233.db2.gz	GSIRAOVJCFHRIN-UHFFFAOYSA-N	1	0	458.587	4.478	1	0		JIAFRO
COc1ccc2cc3[n+](cc2c1OCCC(=O)Nc1ccccc1)CCc1cc2c(cc1-3)OCO2	ZINC000049803164	563204109	/nfs/dbraw/zinc/20/41/09/563204109.db2.gz	GFLOZEGMDHHSEW-UHFFFAOYSA-O	1	0	469.517	4.495	1	0		JIAFRO
COc1ccc2[nH]cc(C[NH+]3CCC(O)(c4ccc(I)cc4)CC3)c2c1	ZINC000053244108	563205430	/nfs/dbraw/zinc/20/54/30/563205430.db2.gz	PYCKGDROYNHKPS-UHFFFAOYSA-N	1	0	462.331	4.265	1	0		JIAFRO
COc1cccc([C@H](NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c2ccccn2)c1	ZINC000061895885	563209773	/nfs/dbraw/zinc/20/97/73/563209773.db2.gz	KEQZHWITOLDNNQ-MHZLTWQESA-N	1	0	459.590	4.477	3	0		JIAFRO
COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cnccn3)CC2)cc1	ZINC000061905792	563210392	/nfs/dbraw/zinc/21/03/92/563210392.db2.gz	KDYUHXYKELMSQF-VWLOTQADSA-N	1	0	480.996	4.135	3	0		JIAFRO
CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CCC(C)C)CC[NH+](C)C	ZINC000061906601	563210508	/nfs/dbraw/zinc/21/05/08/563210508.db2.gz	WUVQMJNLZBRCDN-UHFFFAOYSA-N	1	0	495.668	4.128	3	0		JIAFRO
C[C@H](Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)[NH2+]C[C@H](O)COc1ccccc1	ZINC000040874862	581094818	/nfs/dbraw/zinc/09/48/18/581094818.db2.gz	HFHHNHNEBZCVRQ-KCWPFWIISA-N	1	0	498.627	4.073	1	0		JIAFRO
COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1OC	ZINC000001542210	562920849	/nfs/dbraw/zinc/92/08/49/562920849.db2.gz	OQCULVWGYINQAR-OAQYLSRUSA-N	1	0	475.541	4.049	1	0		JIAFRO
COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2C(F)(F)F)cc1	ZINC000013534814	562972611	/nfs/dbraw/zinc/97/26/11/562972611.db2.gz	NIOGKTQQSAUMBL-HSZRJFAPSA-N	1	0	491.554	4.422	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(O)[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000013559706	562974996	/nfs/dbraw/zinc/97/49/96/562974996.db2.gz	GHRXFFIPNFMWLA-NVSKSXHLSA-N	1	0	460.961	4.330	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCC(=O)N[C@@H]2CCCc3cccc(OC)c32)CC1	ZINC000013586525	562976613	/nfs/dbraw/zinc/97/66/13/562976613.db2.gz	BUMLEIQSRWKWTF-JOCHJYFZSA-N	1	0	451.611	4.190	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCC(=O)N[C@H]2CCCc3c(OC)cccc32)CC1	ZINC000013586507	562976653	/nfs/dbraw/zinc/97/66/53/562976653.db2.gz	LXWYKTWQUZXTEL-QHCPKHFHSA-N	1	0	451.611	4.190	1	0		JIAFRO
COc1ccc(CC[N@H+](C)CCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC	ZINC000013687251	562984493	/nfs/dbraw/zinc/98/44/93/562984493.db2.gz	SQDWWHCSJBNTLV-FZDFQQAASA-N	1	0	496.607	4.070	1	0		JIAFRO
O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCC[NH+]1CCN(c2ccccc2)CC1	ZINC000013782634	562992649	/nfs/dbraw/zinc/99/26/49/562992649.db2.gz	CQVULHXMNDQWED-UHFFFAOYSA-N	1	0	463.581	4.440	1	0		JIAFRO
COCC[NH+]=C1N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1	ZINC000015937428	563012417	/nfs/dbraw/zinc/01/24/17/563012417.db2.gz	AZIFWENGHFPMIR-NRFANRHFSA-N	1	0	461.484	4.301	3	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)CSc2ccccc2)cc1OC	ZINC000026010863	563021710	/nfs/dbraw/zinc/02/17/10/563021710.db2.gz	AKZYPVWPMITAQX-UHFFFAOYSA-N	1	0	450.004	4.151	1	0		JIAFRO
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC	ZINC000026008774	563021728	/nfs/dbraw/zinc/02/17/28/563021728.db2.gz	PTQFXEBQLSKNCZ-HNNXBMFYSA-N	1	0	482.408	4.480	1	0		JIAFRO
CC[NH+](CC)CCCNC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1OC	ZINC000026013532	563021782	/nfs/dbraw/zinc/02/17/82/563021782.db2.gz	ZKYKSYVXIGIJKD-UHFFFAOYSA-N	1	0	482.408	4.481	1	0		JIAFRO
COc1ccc(OC[C@@H](O)C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1	ZINC000026148240	563022319	/nfs/dbraw/zinc/02/23/19/563022319.db2.gz	HHYUHLAZLCUWCM-VWLOTQADSA-N	1	0	460.574	4.246	1	0		JIAFRO
COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCCC[NH+]1CCC2(CC1)NC(=O)NC2=O	ZINC000026647289	563031818	/nfs/dbraw/zinc/03/18/18/563031818.db2.gz	UJABHVHTNMBJAP-UHFFFAOYSA-N	1	0	465.550	4.238	1	0		JIAFRO
O=C(CCc1ccccc1)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000027631800	563047621	/nfs/dbraw/zinc/04/76/21/563047621.db2.gz	JFVCCYXOHPSPQG-UHFFFAOYSA-N	1	0	494.083	4.447	1	0		JIAFRO
CN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1	ZINC000027743393	563051069	/nfs/dbraw/zinc/05/10/69/563051069.db2.gz	NRBACELXLTZJDX-LOSJGSFVSA-N	1	0	450.529	4.363	1	0		JIAFRO
CCC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1	ZINC000027759007	563051410	/nfs/dbraw/zinc/05/14/10/563051410.db2.gz	HNHMOAQGJVBTST-YADHBBJMSA-N	1	0	462.999	4.412	1	0		JIAFRO
COc1ccc2c(CC[N@H+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)csc2c1	ZINC000028100136	563055958	/nfs/dbraw/zinc/05/59/58/563055958.db2.gz	DAGCZAKQBYAEOU-UHFFFAOYSA-N	1	0	482.646	4.419	1	0		JIAFRO
CC(C)N(CCCNC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)C(N)=[NH2+]	ZINC000028133662	563057487	/nfs/dbraw/zinc/05/74/87/563057487.db2.gz	VFVNSVKTRNDEJF-UHFFFAOYSA-N	1	0	494.471	4.277	1	0		JIAFRO
CC(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC(C)(C)C[NH3+]	ZINC000028332053	563059602	/nfs/dbraw/zinc/05/96/02/563059602.db2.gz	NCYWJRPNVXVRTI-HSZRJFAPSA-N	1	0	467.610	4.201	1	0		JIAFRO
CCc1cc(I)c2c(c1)[C@H]([NH2+]CCCNc1nc3cccnc3[nH]1)CCN2	ZINC000028364554	563061964	/nfs/dbraw/zinc/06/19/64/563061964.db2.gz	GUACDAXYBKVFIR-MRXNPFEDSA-N	1	0	476.366	4.073	1	0		JIAFRO
Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000028570545	563070788	/nfs/dbraw/zinc/07/07/88/563070788.db2.gz	XLRMUDACQWWLNV-UHFFFAOYSA-N	1	0	476.499	4.457	1	0		JIAFRO
O=C(CCC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1Cl	ZINC000028647022	563073433	/nfs/dbraw/zinc/07/34/33/563073433.db2.gz	UZWZRENTPLEXAY-UHFFFAOYSA-N	1	0	450.366	4.259	1	0		JIAFRO
c1cnc2oc3c(nc(-c4cccc(OCC[NH+]5CCCCC5)c4)nc3N3CCOCC3)c2c1	ZINC000028707097	563075716	/nfs/dbraw/zinc/07/57/16/563075716.db2.gz	JNXSKIADTKCJLW-UHFFFAOYSA-N	1	0	459.550	4.139	1	0		JIAFRO
CCOc1ccc(CC(=O)N2CCc3cc(OC)c(N4C[C@@H](C)[N@@H+](C)[C@@H](C)C4)cc32)cc1Cl	ZINC000028960686	563088917	/nfs/dbraw/zinc/08/89/17/563088917.db2.gz	NXFLOCZVSFOJDQ-HDICACEKSA-N	1	0	472.029	4.408	1	0		JIAFRO
COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(S(=O)(=O)c1ccc3ccccc3c1)CC2	ZINC000028960695	563088957	/nfs/dbraw/zinc/08/89/57/563088957.db2.gz	DPBWBYIGPQXZBC-KDURUIRLSA-N	1	0	465.619	4.129	1	0		JIAFRO
Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(C[NH+](C)C)c3)nc(-c3ccc(C)o3)n2)n1	ZINC000029041682	563091713	/nfs/dbraw/zinc/09/17/13/563091713.db2.gz	XHZNAIPWEJMXIP-UHFFFAOYSA-N	1	0	478.528	4.066	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1	ZINC000029125683	563094876	/nfs/dbraw/zinc/09/48/76/563094876.db2.gz	PJZDDXYGJPHRMW-UHFFFAOYSA-N	1	0	477.841	4.299	1	0		JIAFRO
CC(=O)c1cc(NC(=O)N[C@H](C)C[C@@H](O)[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1	ZINC000029130000	563096891	/nfs/dbraw/zinc/09/68/91/563096891.db2.gz	BIPWHXLJDZRBGR-FQHLQPMKSA-N	1	0	483.584	4.404	1	0		JIAFRO
CC(=O)c1cc(NC(=O)N[C@@H](C)C[C@H](O)[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1	ZINC000029129927	563096914	/nfs/dbraw/zinc/09/69/14/563096914.db2.gz	BIPWHXLJDZRBGR-CWVVSJDFSA-N	1	0	483.584	4.404	1	0		JIAFRO
COc1ccc(N2C[C@H](C[NH+]3CCC(O)(c4ccc5c(c4)OC4(CCCC4)O5)CC3)OC2=O)cc1	ZINC000029412551	563103349	/nfs/dbraw/zinc/10/33/49/563103349.db2.gz	XMKGCIJOCUNXEC-QFIPXVFZSA-N	1	0	480.561	4.046	1	0		JIAFRO
O=C(Oc1ccc2c(c1)CCC(=O)N2CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1	ZINC000029545028	563105799	/nfs/dbraw/zinc/10/57/99/563105799.db2.gz	XQBZNOVMFFCKGQ-UHFFFAOYSA-N	1	0	469.585	4.397	1	0		JIAFRO
C[C@@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1	ZINC000034849858	563116954	/nfs/dbraw/zinc/11/69/54/563116954.db2.gz	WYRVEQKOBORSQY-OYRHEFFESA-N	1	0	452.618	4.044	1	0		JIAFRO
Cc1noc2c1c(=O)n(C[C@@H](C)C[NH+]1CCN(c3cccc(Cl)c3)CC1)nc2-c1ccccc1	ZINC000035080217	563119031	/nfs/dbraw/zinc/11/90/31/563119031.db2.gz	TUGPMTJLOKBGLL-SFHVURJKSA-N	1	0	477.996	4.472	1	0		JIAFRO
C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc6c(c5)OCO6)ccc4c3=O)cn2)C1	ZINC000036351548	563126967	/nfs/dbraw/zinc/12/69/67/563126967.db2.gz	ZEWPNRKJURASKK-FQEVSTJZSA-N	1	0	455.514	4.391	1	0		JIAFRO
CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)ccc2nc1-c1cccc(Cl)c1	ZINC000036479879	563130539	/nfs/dbraw/zinc/13/05/39/563130539.db2.gz	MOMPUOVKLQCIDO-UHFFFAOYSA-N	1	0	497.039	4.496	1	0		JIAFRO
CCCC[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000038383143	563134142	/nfs/dbraw/zinc/13/41/42/563134142.db2.gz	NHYMWKHINJIWJL-LJQANCHMSA-N	1	0	489.465	4.449	1	0		JIAFRO
COc1cc(N)ccc1-c1ccc2c(c1)[nH]nc2-c1nc2c(cccc2N2CC[NH+](C)CC2)[nH]1	ZINC000039225608	563136508	/nfs/dbraw/zinc/13/65/08/563136508.db2.gz	XONAFDRMWJEXGF-UHFFFAOYSA-N	1	0	453.550	4.116	1	0	in-vitro	JIAFRO
COc1cc(OC)c2c(c1)n(C)c(-c1ccc(OCCC[NH+]3CCCCC3)c(N)c1)cc2=O	ZINC000040405123	563139979	/nfs/dbraw/zinc/13/99/79/563139979.db2.gz	FTSIQOGSIVSORA-UHFFFAOYSA-N	1	0	451.567	4.060	1	0		JIAFRO
NC(=O)[C@H]1CCC[N@H+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)C1	ZINC000040424686	563142958	/nfs/dbraw/zinc/14/29/58/563142958.db2.gz	WIVNJJUIRLDNAK-IBGZPJMESA-N	1	0	473.552	4.193	1	0		JIAFRO
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C1CC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CCC1)[C@H]2O5	ZINC000040566989	563145957	/nfs/dbraw/zinc/14/59/57/563145957.db2.gz	XFRNOGTUYKDYFW-VXVAYLJWSA-N	1	0	465.634	4.168	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cccc(-c3ccc(F)nc3)c2)CC1	ZINC000040576116	563146497	/nfs/dbraw/zinc/14/64/97/563146497.db2.gz	XGUBISCVNLJAOS-UHFFFAOYSA-N	1	0	462.569	4.229	1	0		JIAFRO
CC(C)[N@H+](Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040917853	563156037	/nfs/dbraw/zinc/15/60/37/563156037.db2.gz	VQEUFKAZJQQRPS-NRFANRHFSA-N	1	0	465.342	4.117	1	0		JIAFRO
CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCC[C@@H]1CCC[N@@H+]1C	ZINC000040933134	563156727	/nfs/dbraw/zinc/15/67/27/563156727.db2.gz	SFSVPKUSQYRTIX-IBGZPJMESA-N	1	0	478.618	4.431	1	0		JIAFRO
CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC[NH+](C)C)c(OC)c2)n1)c1cccnc1	ZINC000043062089	563165849	/nfs/dbraw/zinc/16/58/49/563165849.db2.gz	FKGYBKHMVLWODZ-FQEVSTJZSA-N	1	0	463.586	4.184	1	0		JIAFRO
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1[NH3+]	ZINC000044404010	563172455	/nfs/dbraw/zinc/17/24/55/563172455.db2.gz	XNPZZOKPHOMJPJ-KLVKTECBSA-N	1	0	477.686	4.212	1	0		JIAFRO
CCOc1c(C[NH2+]CCCNc2nc3ccccc3[nH]2)cc(I)cc1OC	ZINC000045168907	563173951	/nfs/dbraw/zinc/17/39/51/563173951.db2.gz	QCNIFSPMFMDJPY-UHFFFAOYSA-N	1	0	480.350	4.167	1	0		JIAFRO
C[C@@H](NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NCC[NH+]1CCCCC1	ZINC000045187608	563174447	/nfs/dbraw/zinc/17/44/47/563174447.db2.gz	FCSVIIYVFJTYBY-OAHLLOKOSA-N	1	0	464.393	4.086	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(C[NH2+]C3Cc4ccccc4C3)c2)s1	ZINC000045188382	563174866	/nfs/dbraw/zinc/17/48/66/563174866.db2.gz	NPJGJVGGIAZYSN-UHFFFAOYSA-N	1	0	481.687	4.046	1	0		JIAFRO
Cc1cccc(-c2cccc(CNc3nc(NCCc4ccc(O)cc4)nc(N4CC[NH2+]CC4)n3)c2)c1	ZINC000045201326	563178030	/nfs/dbraw/zinc/17/80/30/563178030.db2.gz	PVTKVIAMRPEZQX-UHFFFAOYSA-N	1	0	495.631	4.229	1	0		JIAFRO
CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1	ZINC000045210154	563179355	/nfs/dbraw/zinc/17/93/55/563179355.db2.gz	PWSWDAMCBAYJGL-UHFFFAOYSA-N	1	0	452.555	4.065	1	0		JIAFRO
COc1ccc(-c2cccc(C[NH2+]C3CCN(C)CC3)c2)cc1S(=O)(=O)NCc1ccccc1	ZINC000045229763	563180958	/nfs/dbraw/zinc/18/09/58/563180958.db2.gz	VOLNHAVQZGSHQC-UHFFFAOYSA-N	1	0	479.646	4.025	1	0		JIAFRO
C[N@H+](Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000045253510	563182212	/nfs/dbraw/zinc/18/22/12/563182212.db2.gz	ALMUAFMBTQXABU-AREMUKBSSA-N	1	0	497.546	4.314	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCOc2ccccc2)nc(NCCc2ccccn2)[nH+]1	ZINC000045302035	563185995	/nfs/dbraw/zinc/18/59/95/563185995.db2.gz	PUMXCPSIYWYITF-SANMLTNESA-N	1	0	496.615	4.053	1	0		JIAFRO
COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)s3)nc2c1	ZINC000045321933	563188356	/nfs/dbraw/zinc/18/83/56/563188356.db2.gz	DAAPQIZFKUBAAQ-UHFFFAOYSA-N	1	0	474.586	4.472	1	0		JIAFRO
COc1ccccc1CCNC(=O)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000045355231	563192290	/nfs/dbraw/zinc/19/22/90/563192290.db2.gz	QGUGCEFDAYGKRE-UHFFFAOYSA-N	1	0	495.421	4.152	1	0		JIAFRO
Cc1cnc(-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)cn1	ZINC000049021078	563197734	/nfs/dbraw/zinc/19/77/34/563197734.db2.gz	AEXFOTSQBUVBKJ-PGRDOPGGSA-N	1	0	474.556	4.355	1	0		JIAFRO
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc(CCn2cccc2)c1	ZINC000049089729	563201990	/nfs/dbraw/zinc/20/19/90/563201990.db2.gz	HMWNNRGLQQFFPN-MHZLTWQESA-N	1	0	454.574	4.244	1	0		JIAFRO
COc1ccc(-c2coc3cc(OC[C@@H](O)C[NH2+]C4CCCCC4)ccc3c2=O)cc1OC	ZINC000049089769	563202034	/nfs/dbraw/zinc/20/20/34/563202034.db2.gz	PSBRBCLZHLONKH-IBGZPJMESA-N	1	0	453.535	4.139	1	0		JIAFRO
Cc1cccc(CNCC(=O)c2cn3c(n2)nc(C)c(C[NH3+])c3-c2ccc(Cl)cc2Cl)n1	ZINC000058568319	563207461	/nfs/dbraw/zinc/20/74/61/563207461.db2.gz	KWLWWMALNGTAQY-UHFFFAOYSA-N	1	0	469.376	4.146	1	0		JIAFRO
COc1ccc2cc3[n+](cc2c1OCOC(=O)c1ccccc1)CCc1cc2c(cc1-3)OCO2	ZINC000058576220	563207684	/nfs/dbraw/zinc/20/76/84/563207684.db2.gz	ORGSRJBTWSXDCC-UHFFFAOYSA-N	1	0	456.474	4.281	1	0		JIAFRO
COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3cnccn3)CC2)cc1	ZINC000061905793	563210414	/nfs/dbraw/zinc/21/04/14/563210414.db2.gz	KDYUHXYKELMSQF-RUZDIDTESA-N	1	0	480.996	4.135	3	0		JIAFRO
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1[NH3+]	ZINC000095099525	560062304	/nfs/dbraw/zinc/06/23/04/560062304.db2.gz	XNPZZOKPHOMJPJ-NQYOBSGESA-N	1	0	477.686	4.212	1	0	biogenic,in-vitro	JIAFRO
COC(=O)c1cc(C(=CCC[NH3+])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC	ZINC000001654534	562922626	/nfs/dbraw/zinc/92/26/26/562922626.db2.gz	XJDCYNAXCKUTFV-UHFFFAOYSA-N	1	0	468.333	4.364	1	0		JIAFRO
COc1cc2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC	ZINC000008586329	562941020	/nfs/dbraw/zinc/94/10/20/562941020.db2.gz	FADKQGLCXGXHGK-UHFFFAOYSA-N	1	0	468.529	4.227	3	0		JIAFRO
c1cncc(OC2CC[NH+](Cc3ccc4c(c3)CN(Cc3ccc5c(c3)OCO5)CCO4)CC2)c1	ZINC000012047890	562958891	/nfs/dbraw/zinc/95/88/91/562958891.db2.gz	GNBYXWRBCJIPBW-UHFFFAOYSA-N	1	0	473.573	4.248	1	0		JIAFRO
COc1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2OC)[C@@H]3O)ccc1F	ZINC000012078498	562959060	/nfs/dbraw/zinc/95/90/60/562959060.db2.gz	JOTOZKLRFMTWPJ-SXOMAYOGSA-N	1	0	490.575	4.222	1	0		JIAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2cc(Nc3ccccc3Br)ncn2)cc1	ZINC000013537879	562972849	/nfs/dbraw/zinc/97/28/49/562972849.db2.gz	QDQHFTSJJASKSA-MRXNPFEDSA-N	1	0	458.360	4.028	1	0		JIAFRO
COc1ccc2c(c1)CCC[C@H]2NC(=O)CCCC[NH+]1CCN(c2ccccc2OC)CC1	ZINC000013586514	562976607	/nfs/dbraw/zinc/97/66/07/562976607.db2.gz	UGKGEWQQNWUAQP-XMMPIXPASA-N	1	0	451.611	4.190	1	0		JIAFRO
C[C@@H]1CN(C(=O)N2c3cc(Cl)ccc3-n3cnc(C(=O)OC(C)(C)C)c3C2(C)C)C[C@H](C)[NH2+]1	ZINC000013796072	562993100	/nfs/dbraw/zinc/99/31/00/562993100.db2.gz	RJCIQNZZLSAFJT-GASCZTMLSA-N	1	0	474.005	4.338	1	0		JIAFRO
CCc1cc([C@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc(CC)c1O	ZINC000013799698	562993728	/nfs/dbraw/zinc/99/37/28/562993728.db2.gz	PAHAHHRAJCLZGL-AREMUKBSSA-N	1	0	486.634	4.221	1	0		JIAFRO
O=C(/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4cccc5c4[C@@]31CC[N@H+](CC1CC1)[C@@H]2C5	ZINC000013813143	562995847	/nfs/dbraw/zinc/99/58/47/562995847.db2.gz	LEZJEUHTDDKUOY-JSTZFSCLSA-N	1	0	489.015	4.311	1	0		JIAFRO
COCC[N@H+](C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1	ZINC000013863676	563003520	/nfs/dbraw/zinc/00/35/20/563003520.db2.gz	BDNLTOXSGSRVFC-QPJJXVBHSA-N	1	0	470.371	4.209	1	0		JIAFRO
CS(=O)(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H](O)c2cc(Br)cs2)cc1	ZINC000014966897	563009269	/nfs/dbraw/zinc/00/92/69/563009269.db2.gz	XAZPZATZJWZAFY-IBGZPJMESA-N	1	0	496.448	4.316	1	0		JIAFRO
CN(C(=O)c1cccc(COc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2Cl)c1)c1ccccc1	ZINC000016955420	563013226	/nfs/dbraw/zinc/01/32/26/563013226.db2.gz	ISZBFIIZBNLMFU-UHFFFAOYSA-N	1	0	490.995	4.381	1	0		JIAFRO
OC1(c2ccc3c(c2)OCO3)CCC([NH+]2CCN(Cc3ccccc3Br)CC2)CC1	ZINC000022442550	563016964	/nfs/dbraw/zinc/01/69/64/563016964.db2.gz	IVCFPNFJCFXBEV-UHFFFAOYSA-N	1	0	473.411	4.126	1	0		JIAFRO
C[C@H](C[NH+]1CCN(C[C@H](F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1	ZINC000022931026	563018371	/nfs/dbraw/zinc/01/83/71/563018371.db2.gz	VQZDZTOKSITKJO-AUSIDOKSSA-N	1	0	464.564	4.190	1	0		JIAFRO
O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000022937391	563019136	/nfs/dbraw/zinc/01/91/36/563019136.db2.gz	XINFNSXRSZWCFG-DHIUTWEWSA-N	1	0	476.402	4.106	1	0		JIAFRO
O=C1NCCN1CCC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1	ZINC000022940784	563019701	/nfs/dbraw/zinc/01/97/01/563019701.db2.gz	VAEVQHTXJSLDAA-LADGPHEKSA-N	1	0	456.993	4.089	1	0		JIAFRO
[NH3+][C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1	ZINC000025967720	563020670	/nfs/dbraw/zinc/02/06/70/563020670.db2.gz	LJTKFVOSAVCILF-ZCYQVOJMSA-N	1	0	461.993	4.107	1	0		JIAFRO
COc1ccc(OC[C@H](O)C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1	ZINC000026174105	563023420	/nfs/dbraw/zinc/02/34/20/563023420.db2.gz	XOYORCFADYQHIU-RUZDIDTESA-N	1	0	478.564	4.385	1	0		JIAFRO
O=S(=O)(c1ccccc1)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000026652767	563032175	/nfs/dbraw/zinc/03/21/75/563032175.db2.gz	ITMUPSFMXVHHMX-HHHXNRCGSA-N	1	0	478.614	4.203	1	0		JIAFRO
CN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccccc2)CC1	ZINC000027081061	563038956	/nfs/dbraw/zinc/03/89/56/563038956.db2.gz	MVQDDDPVGORFBZ-AREMUKBSSA-N	1	0	453.590	4.189	1	0		JIAFRO
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(C)cc1	ZINC000027521837	563045016	/nfs/dbraw/zinc/04/50/16/563045016.db2.gz	WARQBRAPFLKGEM-GGCQMZMESA-N	1	0	455.558	4.123	1	0		JIAFRO
COc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1	ZINC000027646895	563048403	/nfs/dbraw/zinc/04/84/03/563048403.db2.gz	FQIGDOFUIUFYKS-AJFHRXSQSA-N	1	0	484.644	4.407	1	0		JIAFRO
Cc1ccc(Cl)c(O[C@@H](C(C)C)[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1	ZINC000028333202	563059718	/nfs/dbraw/zinc/05/97/18/563059718.db2.gz	BOWNRQWYUOTCCD-VWNXMTODSA-N	1	0	458.002	4.393	1	0		JIAFRO
Cc1cccc([C@](O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1	ZINC000028359941	563061742	/nfs/dbraw/zinc/06/17/42/563061742.db2.gz	QEMMYSSVUOEYGR-LJAQVGFWSA-N	1	0	492.685	4.232	1	0		JIAFRO
Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCCNc1nc3cccnc3[nH]1)CCN2	ZINC000028364173	563061867	/nfs/dbraw/zinc/06/18/67/563061867.db2.gz	IGZZASHRDRBDOT-CQSZACIVSA-N	1	0	480.208	4.431	1	0		JIAFRO
Brc1cc(Br)c2c(c1)[C@@H]([NH2+]CCCNc1nc3cccnc3[nH]1)CCN2	ZINC000028364177	563061886	/nfs/dbraw/zinc/06/18/86/563061886.db2.gz	IGZZASHRDRBDOT-AWEZNQCLSA-N	1	0	480.208	4.431	1	0		JIAFRO
CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@H+](C)C1	ZINC000028463418	563064914	/nfs/dbraw/zinc/06/49/14/563064914.db2.gz	XNCXMOJZOJYPBA-MOPGFXCFSA-N	1	0	494.583	4.336	1	0		JIAFRO
CC1CC[NH+](C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)CC1	ZINC000028522990	563066742	/nfs/dbraw/zinc/06/67/42/563066742.db2.gz	FSQUYIAMRHDXDD-HONITSIMSA-N	1	0	497.627	4.008	1	0		JIAFRO
Cc1ccc(O)c(Cn2c3cccc(C)c3nc2NC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)n1	ZINC000028710362	563076063	/nfs/dbraw/zinc/07/60/63/563076063.db2.gz	YPULKFFGNHVHJX-HSZRJFAPSA-N	1	0	451.615	4.085	1	0		JIAFRO
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)[NH+]2CCCC2)s1	ZINC000028827408	563083109	/nfs/dbraw/zinc/08/31/09/563083109.db2.gz	LNWFRQFAJKYOTN-KDOFPFPSSA-N	1	0	450.555	4.044	1	0		JIAFRO
Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1	ZINC000028958917	563088657	/nfs/dbraw/zinc/08/86/57/563088657.db2.gz	GYBRSFWAQZVMDN-NRFANRHFSA-N	1	0	466.028	4.009	1	0		JIAFRO
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2COC[C@H]2c2ccc(Cl)cc2)CC1	ZINC000029039387	563091149	/nfs/dbraw/zinc/09/11/49/563091149.db2.gz	YIOJCRRQROSNFU-XJUOHMSHSA-N	1	0	459.993	4.214	1	0		JIAFRO
C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)[C@@H]2C(=O)NC(=O)[C@@H]2c2cn(c3ccccc23)CCO1	ZINC000029061555	563093983	/nfs/dbraw/zinc/09/39/83/563093983.db2.gz	DRIXYLZMWNQAEJ-LGIRGXTLSA-N	1	0	470.573	4.311	1	0		JIAFRO
O=S(=O)(NCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F	ZINC000029125419	563094681	/nfs/dbraw/zinc/09/46/81/563094681.db2.gz	OQKOSQJSZJDZRB-UHFFFAOYSA-N	1	0	476.948	4.011	1	0		JIAFRO
O=S(=O)(c1ccccc1Cl)N1CCC([NH+]2CCC(O)(c3cccc(Cl)c3)CC2)CC1	ZINC000029125834	563094920	/nfs/dbraw/zinc/09/49/20/563094920.db2.gz	TYZOXLGHOOIBSQ-UHFFFAOYSA-N	1	0	469.434	4.130	1	0		JIAFRO
Cc1cccc(Cl)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@](O)(c3ccc(Cl)cc3)C2)CC1	ZINC000029126028	563094990	/nfs/dbraw/zinc/09/49/90/563094990.db2.gz	GACIWXWCIPVUAH-JOCHJYFZSA-N	1	0	469.434	4.048	1	0		JIAFRO
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1	ZINC000029136315	563098222	/nfs/dbraw/zinc/09/82/22/563098222.db2.gz	PXLJHQVPKCBLFJ-UXHICEINSA-N	1	0	467.919	4.306	1	0		JIAFRO
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2/C=C/c2cc(C)no2)cc1OC	ZINC000029231076	563099056	/nfs/dbraw/zinc/09/90/56/563099056.db2.gz	AYGMDMLHZRHNBE-HBURNHKCSA-N	1	0	452.551	4.131	1	0		JIAFRO
O=C1CC[C@@]2([NH2+]CCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	ZINC000035050557	563118555	/nfs/dbraw/zinc/11/85/55/563118555.db2.gz	AXLHFOFZVNWFHI-HBMTYJCASA-N	1	0	479.020	4.019	1	0		JIAFRO
C[NH+](C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)oc4c3=O)cn2)C1	ZINC000035935526	563121402	/nfs/dbraw/zinc/12/14/02/563121402.db2.gz	LCLZDLHNBUWRJC-IBGZPJMESA-N	1	0	469.467	4.200	1	0		JIAFRO
CC(C)(C)CNC(=O)NCCCC[NH+]1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1	ZINC000036089328	563121940	/nfs/dbraw/zinc/12/19/40/563121940.db2.gz	PCPMHRDGGJEPAZ-UHFFFAOYSA-N	1	0	472.600	4.040	1	0		JIAFRO
C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCc3ccc(N)cc3C2)CC1	ZINC000036351909	563127215	/nfs/dbraw/zinc/12/72/15/563127215.db2.gz	AMCXJTXNFNTRKC-JOCHJYFZSA-N	1	0	474.024	4.090	1	0		JIAFRO
COc1ccc2nccc(NC(=O)N3CCC([NH2+]Cc4cc5c([nH]4)c(F)ccc5F)CC3)c2n1	ZINC000038381354	563134051	/nfs/dbraw/zinc/13/40/51/563134051.db2.gz	BAWSQSHGTLVGQQ-UHFFFAOYSA-N	1	0	466.492	4.184	1	0		JIAFRO
CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000040379017	563137070	/nfs/dbraw/zinc/13/70/70/563137070.db2.gz	REQWQXWXJFMGGM-NRFANRHFSA-N	1	0	465.342	4.117	1	0		JIAFRO
[NH3+]C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1	ZINC000040407850	563140371	/nfs/dbraw/zinc/14/03/71/563140371.db2.gz	FLJNUPIJNHQZPV-CQSZACIVSA-N	1	0	455.381	4.354	1	0		JIAFRO
C[C@H](Nc1c(-c2ccc(OCCC[NH+](C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F	ZINC000040576465	563146523	/nfs/dbraw/zinc/14/65/23/563146523.db2.gz	KUPGUXGPNHKBCS-NSHDSACASA-N	1	0	460.863	4.277	1	0		JIAFRO
COCCCN(Cc1ccccc1-c1ccc(CN2CC[NH2+]CC2)cc1)C(=O)COc1ccccc1	ZINC000040874809	563152035	/nfs/dbraw/zinc/15/20/35/563152035.db2.gz	MECFZMJBLOFSRI-UHFFFAOYSA-N	1	0	487.644	4.203	1	0		JIAFRO
CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCC[NH+]1CCCCC1	ZINC000040878139	563152638	/nfs/dbraw/zinc/15/26/38/563152638.db2.gz	GUITUUWNFKLHTQ-UHFFFAOYSA-N	1	0	478.618	4.432	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccccc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040913645	563154995	/nfs/dbraw/zinc/15/49/95/563154995.db2.gz	WGDLNMCFJZEUHA-ATTGEPADSA-N	1	0	485.580	4.093	1	0		JIAFRO
[NH3+][C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1	ZINC000040917133	563155783	/nfs/dbraw/zinc/15/57/83/563155783.db2.gz	DWWYEUGJDHYKSK-OFNKIYASSA-N	1	0	470.400	4.021	1	0		JIAFRO
CN1CCN(CC(=O)N2CCC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1	ZINC000040957388	563161087	/nfs/dbraw/zinc/16/10/87/563161087.db2.gz	IFUAZAVFTHVAHK-ZXXJIDHISA-N	1	0	486.704	4.031	1	0		JIAFRO
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2c(N)noc2c1	ZINC000040975685	563161977	/nfs/dbraw/zinc/16/19/77/563161977.db2.gz	BGLPZSPBYFJHQQ-UHFFFAOYSA-N	1	0	455.562	4.385	1	0		JIAFRO
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1cc2ccccc2o1	ZINC000042891364	563163571	/nfs/dbraw/zinc/16/35/71/563163571.db2.gz	YWXBDOBCMGWUJK-UHFFFAOYSA-N	1	0	457.559	4.467	1	0		JIAFRO
O=C(NC[C@H]1CCCC[C@H]1O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043010109	563164039	/nfs/dbraw/zinc/16/40/39/563164039.db2.gz	GKKXKERIMABTMR-AUSIDOKSSA-N	1	0	478.559	4.311	1	0		JIAFRO
O=C(NCCc1ccc(OCC[NH+]2CCCC2)c(Br)c1)c1cccc(C(F)(F)F)n1	ZINC000043017180	563164591	/nfs/dbraw/zinc/16/45/91/563164591.db2.gz	VCSWHHJKIBZJAS-UHFFFAOYSA-N	1	0	486.332	4.310	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]CCOc4ccc(F)cc4Cl)CC3)c2c1	ZINC000045167008	563172844	/nfs/dbraw/zinc/17/28/44/563172844.db2.gz	IJVTZYRHUACIHK-DEOSSOPVSA-N	1	0	473.976	4.202	1	0		JIAFRO
Cc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc(C(=O)NCC[NH2+]Cc4ccccc4)cc3)c2N)n1	ZINC000045186726	563174160	/nfs/dbraw/zinc/17/41/60/563174160.db2.gz	MBZGPKYRNWTARB-UHFFFAOYSA-N	1	0	494.521	4.363	1	0		JIAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)nc(NCCc2cccnc2)[nH+]1	ZINC000045187162	563174335	/nfs/dbraw/zinc/17/43/35/563174335.db2.gz	WORJWQODZLHFFI-QHCPKHFHSA-N	1	0	472.618	4.236	1	0		JIAFRO
CCCc1cc(OCCCOc2ccccc2)ccc1OCCCON1C(=N)NC(N)=[NH+]C1(C)C	ZINC000045189658	563175321	/nfs/dbraw/zinc/17/53/21/563175321.db2.gz	PIEHCUBKVCGUMW-UHFFFAOYSA-N	1	0	483.613	4.288	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4c[nH]c5c4cccc5C)CC3)c2c1	ZINC000045192507	563176288	/nfs/dbraw/zinc/17/62/88/563176288.db2.gz	NCRWAWNXMMJXHN-DIPPXIFJSA-N	1	0	484.600	4.361	1	0		JIAFRO
COc1ccc(-c2cc(C(=O)N[C@@H](CC3CCCCC3)C(=O)NCC[NH+]3CCCC3)ccc2O)cc1	ZINC000045193747	563176818	/nfs/dbraw/zinc/17/68/18/563176818.db2.gz	QNARLBYVRFFRHW-SANMLTNESA-N	1	0	493.648	4.349	1	0		JIAFRO
Cc1cc(-c2cccc(C[NH2+]C3CCN(C)CC3)c2)ccc1S(=O)(=O)NCc1ccccc1	ZINC000045227941	563180345	/nfs/dbraw/zinc/18/03/45/563180345.db2.gz	HLNIFBUEZLKORJ-UHFFFAOYSA-N	1	0	463.647	4.324	1	0		JIAFRO
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[N@@H+]1CCCOCC1	ZINC000045254490	563182411	/nfs/dbraw/zinc/18/24/11/563182411.db2.gz	QAIRIJOUTULBTI-UHFFFAOYSA-N	1	0	469.973	4.486	1	0		JIAFRO
CC(C)CNC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@@H]2C)nc1NCCc1ccccc1	ZINC000045301860	563185913	/nfs/dbraw/zinc/18/59/13/563185913.db2.gz	ZKWOBNVANVQLGV-NRFANRHFSA-N	1	0	452.647	4.193	1	0		JIAFRO
CC(C)CNC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@H]2C)nc1NCCc1ccccc1	ZINC000045301858	563185916	/nfs/dbraw/zinc/18/59/16/563185916.db2.gz	ZKWOBNVANVQLGV-OAQYLSRUSA-N	1	0	452.647	4.193	1	0		JIAFRO
COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)c(F)c1	ZINC000045302828	563186860	/nfs/dbraw/zinc/18/68/60/563186860.db2.gz	UWCDNJFSRHNKJN-UHFFFAOYSA-N	1	0	497.636	4.164	1	0		JIAFRO
Cn1cnc2c1nc(-c1cccc(NC(=O)Nc3cccc(Cl)c3)c1)nc2NCCC[NH3+]	ZINC000049047945	563199604	/nfs/dbraw/zinc/19/96/04/563199604.db2.gz	DNGLOROGIVIBKN-UHFFFAOYSA-N	1	0	450.934	4.088	1	0		JIAFRO
Cc1ccc2c(c1)NC[C@@]21CC[N@@H+](C[C@@H](O)C2CCN(c3ccnc(Cl)c3)CC2)C[C@H]1C	ZINC000058582916	563207895	/nfs/dbraw/zinc/20/78/95/563207895.db2.gz	OXQMPLZLCYQPAL-GJQIQAERSA-N	1	0	455.046	4.326	1	0		JIAFRO
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2ccc(CC(C)(C)C)s2)CC1	ZINC000060327403	563209537	/nfs/dbraw/zinc/20/95/37/563209537.db2.gz	CZKXEGXIEYHWJE-LEWJYISDSA-N	1	0	450.595	4.302	1	0		JIAFRO
CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4ccc(N5CC[NH+](C)CC5)cc4)cn23)cc1	ZINC000061905482	563210307	/nfs/dbraw/zinc/21/03/07/563210307.db2.gz	CAEPNUYIVQPENM-UHFFFAOYSA-N	1	0	453.546	4.191	3	0		JIAFRO
COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](c3ccccn3)c3ccccc3OC)CC2)cc1	ZINC000061905620	563210336	/nfs/dbraw/zinc/21/03/36/563210336.db2.gz	GPQAVRQDWHJGHB-MHZLTWQESA-N	1	0	475.589	4.095	3	0		JIAFRO
CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1	ZINC000003440192	562927150	/nfs/dbraw/zinc/92/71/50/562927150.db2.gz	UOKIJOWYTBNPIM-OAQYLSRUSA-N	1	0	458.002	4.472	1	0		JIAFRO
O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12	ZINC000003816885	562928938	/nfs/dbraw/zinc/92/89/38/562928938.db2.gz	DIXSEWSBXAEKKY-OAHLLOKOSA-N	1	0	462.377	4.109	1	0		JIAFRO
CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)c(N2CC[NH2+]CC2)n1C	ZINC000003942876	562930400	/nfs/dbraw/zinc/93/04/00/562930400.db2.gz	GKHQCQHXKAERDR-UHFFFAOYSA-N	1	0	458.484	4.359	1	0		JIAFRO
COc1ccc(-n2cc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)c3ccccc3c2=O)cc1	ZINC000008588644	562941564	/nfs/dbraw/zinc/94/15/64/562941564.db2.gz	GTIWPBGZYZWSPJ-UHFFFAOYSA-N	1	0	455.558	4.203	1	0		JIAFRO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)[nH]c(=O)n4Cc3ccc(F)cc3)cc2)CC1	ZINC000008686498	562952815	/nfs/dbraw/zinc/95/28/15/562952815.db2.gz	IYMDSLHIXBZRAR-UHFFFAOYSA-N	1	0	473.552	4.324	3	0		JIAFRO
Cn1c(Cc2ccc(C(N)=[NH2+])cc2)nc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21	ZINC000013473164	562966162	/nfs/dbraw/zinc/96/61/62/562966162.db2.gz	SGSLVQYAGBCGFJ-UHFFFAOYSA-N	1	0	469.570	4.402	1	0		JIAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1	ZINC000013526314	562971506	/nfs/dbraw/zinc/97/15/06/562971506.db2.gz	OAMRDAGXTITKDJ-VAWYXSNFSA-N	1	0	461.528	4.446	1	0		JIAFRO
CCCC[C@@H](C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1=O	ZINC000013526989	562971688	/nfs/dbraw/zinc/97/16/88/562971688.db2.gz	YSBAHWSIHWBSCV-QGZVFWFLSA-N	1	0	495.027	4.155	1	0		JIAFRO
CCCOc1ccc(OCCC[N@@H+]2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3=O)C2)cc1	ZINC000013558940	562974611	/nfs/dbraw/zinc/97/46/11/562974611.db2.gz	FOQDBYFSJXIQSE-JOCHJYFZSA-N	1	0	482.621	4.424	1	0		JIAFRO
COC(=O)c1cccc(CN2CC3(CC[NH+](CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1	ZINC000013743426	562987765	/nfs/dbraw/zinc/98/77/65/562987765.db2.gz	KKNSNXPWJMZQRW-UHFFFAOYSA-N	1	0	465.525	4.123	1	0		JIAFRO
Cc1[nH]c2c(c1Cc1ccccc1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CC1)[C@H]2O5	ZINC000013762974	562990350	/nfs/dbraw/zinc/99/03/50/562990350.db2.gz	PTRLFMOZDQWPIS-QVDUQQMDSA-N	1	0	468.597	4.319	1	0		JIAFRO
C[NH+]1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)CC1	ZINC000013778947	562991241	/nfs/dbraw/zinc/99/12/41/562991241.db2.gz	DKRDFSPYRXMVKM-SANMLTNESA-N	1	0	451.014	4.184	1	0		JIAFRO
[NH3+]CCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1	ZINC000013779782	562991595	/nfs/dbraw/zinc/99/15/95/562991595.db2.gz	CIZDAUBRPMKZKS-HHHXNRCGSA-N	1	0	499.659	4.094	1	0		JIAFRO
CC[N@H+]1[C@H](C)CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)C[C@@H]1C	ZINC000013796118	562993174	/nfs/dbraw/zinc/99/31/74/562993174.db2.gz	PVPIANQNAAKIIB-IYBDPMFKSA-N	1	0	474.005	4.336	1	0		JIAFRO
C[N@H+](CCCN1C(=O)CS[C@@H]1c1ccc(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2	ZINC000013799728	562993716	/nfs/dbraw/zinc/99/37/16/562993716.db2.gz	UPSTUJUEBPRYHQ-RUZDIDTESA-N	1	0	486.634	4.393	1	0		JIAFRO
COc1ccc([C@H]2Oc3ccccc3O[C@@H]2C[NH2+]CCOc2c(OC)cccc2OC)cc1	ZINC000013827447	562998629	/nfs/dbraw/zinc/99/86/29/562998629.db2.gz	YNHZFGNSHNYLOA-JWQCQUIFSA-N	1	0	451.519	4.262	1	0		JIAFRO
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C[NH+]1CCCC1	ZINC000013832125	562999520	/nfs/dbraw/zinc/99/95/20/562999520.db2.gz	MNUXCXWZLFAWDA-NRFANRHFSA-N	1	0	490.431	4.481	1	0		JIAFRO
COc1cc2c(cc1NCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1c[nH+]cn12	ZINC000013860348	563002068	/nfs/dbraw/zinc/00/20/68/563002068.db2.gz	UBAMOLBWSOXUPW-UHFFFAOYSA-N	1	0	466.973	4.341	1	0		JIAFRO
COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1OC	ZINC000013885086	563004232	/nfs/dbraw/zinc/00/42/32/563004232.db2.gz	OQCULVWGYINQAR-NRFANRHFSA-N	1	0	475.541	4.049	1	0		JIAFRO
Cn1c2cc(NCCCC[NH+]3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O	ZINC000021289545	563016684	/nfs/dbraw/zinc/01/66/84/563016684.db2.gz	XWMCANBQNZDUCO-UHFFFAOYSA-N	1	0	461.393	4.432	1	0		JIAFRO
O[C@H](COc1cccc2ncccc21)CN1CC[NH+]([C@@H](c2cccs2)c2ccccc2)CC1	ZINC000022934366	563018823	/nfs/dbraw/zinc/01/88/23/563018823.db2.gz	MKUYHJWPFUGRPG-WXVAWEFUSA-N	1	0	459.615	4.443	1	0		JIAFRO
COc1ccc(OC[C@@H](O)C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1	ZINC000026174100	563023417	/nfs/dbraw/zinc/02/34/17/563023417.db2.gz	XOYORCFADYQHIU-VWLOTQADSA-N	1	0	478.564	4.385	1	0		JIAFRO
O=S(=O)(c1ccccc1)N1CCc2cc(O)ccc2[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000026652771	563032202	/nfs/dbraw/zinc/03/22/02/563032202.db2.gz	ITMUPSFMXVHHMX-MHZLTWQESA-N	1	0	478.614	4.203	1	0		JIAFRO
COc1cc2[nH+]c3c(c(N)c2cc1OC)CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)C3	ZINC000027526386	563045621	/nfs/dbraw/zinc/04/56/21/563045621.db2.gz	FTEVEABUGCVYPW-CYBMUJFWSA-N	1	0	459.468	4.388	1	0		JIAFRO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(OCC(N)=O)c2CC[C@@H]1[NH+]1CCCC1	ZINC000027856514	563052087	/nfs/dbraw/zinc/05/20/87/563052087.db2.gz	PRVDEPBLCXBEPG-OFVILXPXSA-N	1	0	490.431	4.010	1	0		JIAFRO
CCOc1c(Br)cc(Cl)cc1C[NH2+]CCCNc1nc2ccsc2c(=O)[nH]1	ZINC000028364078	563061848	/nfs/dbraw/zinc/06/18/48/563061848.db2.gz	TXHSRIQDAQRMPD-UHFFFAOYSA-N	1	0	471.808	4.391	1	0		JIAFRO
O=C([C@H](O)c1ccc(Cl)cc1)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028386997	563063296	/nfs/dbraw/zinc/06/32/96/563063296.db2.gz	PNZCHQDVWFMHPK-XMMPIXPASA-N	1	0	470.038	4.116	1	0		JIAFRO
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1	ZINC000028635989	563071726	/nfs/dbraw/zinc/07/17/26/563071726.db2.gz	XNTQSXSHCYEQKO-RUZDIDTESA-N	1	0	496.615	4.323	1	0		JIAFRO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O	ZINC000028884436	563084923	/nfs/dbraw/zinc/08/49/23/563084923.db2.gz	VNUBHRBMRUDMKF-KRWDZBQOSA-N	1	0	453.970	4.131	1	0		JIAFRO
O=C(N[C@H]1CCc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21)c1cccnc1	ZINC000029038758	563090909	/nfs/dbraw/zinc/09/09/09/563090909.db2.gz	GFQPGTMHAHWZHS-VWLOTQADSA-N	1	0	483.641	4.473	1	0		JIAFRO
CC(C)([NH3+])C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1	ZINC000029464386	563103937	/nfs/dbraw/zinc/10/39/37/563103937.db2.gz	DCXMHTLUDPWLCI-HSZRJFAPSA-N	1	0	475.658	4.173	1	0		JIAFRO
O=C(N[C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)C1CCCCC1)c1ccc(F)cc1	ZINC000029569581	563107639	/nfs/dbraw/zinc/10/76/39/563107639.db2.gz	ALIDGGPSZBTFKS-QHCPKHFHSA-N	1	0	457.569	4.036	1	0		JIAFRO
CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000034250074	563112698	/nfs/dbraw/zinc/11/26/98/563112698.db2.gz	KSJFBUQQDKCVSE-XMMPIXPASA-N	1	0	455.643	4.127	1	0		JIAFRO
C[C@@H](C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1	ZINC000034849864	563116899	/nfs/dbraw/zinc/11/68/99/563116899.db2.gz	HQMIOCCKYFLZIK-QHAWAJNXSA-N	1	0	452.618	4.215	1	0		JIAFRO
C[C@@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)[NH2+]1	ZINC000034849859	563116936	/nfs/dbraw/zinc/11/69/36/563116936.db2.gz	PIXCOIZPWWREKH-OYRHEFFESA-N	1	0	452.618	4.044	1	0		JIAFRO
Cc1noc2c1c(=O)n(CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)nc2-c1ccccc1	ZINC000035080215	563119014	/nfs/dbraw/zinc/11/90/14/563119014.db2.gz	RKWMOIBBHKIQMB-UHFFFAOYSA-N	1	0	463.969	4.226	1	0		JIAFRO
CC[C@@H](c1nc2c(C)nsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000035836804	563120689	/nfs/dbraw/zinc/12/06/89/563120689.db2.gz	QIBMSVGGTFHTPJ-QFIPXVFZSA-N	1	0	489.645	4.460	1	0		JIAFRO
C[NH+](C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4ccsc43)n[nH]c2C1(C)C)c1ccccc1	ZINC000035880531	563121139	/nfs/dbraw/zinc/12/11/39/563121139.db2.gz	CDSCKKVCQGIMOU-GOSISDBHSA-N	1	0	476.610	4.221	1	0		JIAFRO
Cc1cccc(C(=O)Nc2ccc(C[N@@H+](C)C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)c1	ZINC000035922603	563121248	/nfs/dbraw/zinc/12/12/48/563121248.db2.gz	WFCDCXCREAEXPP-HHHXNRCGSA-N	1	0	491.542	4.137	1	0		JIAFRO
CC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1	ZINC000036216153	563124193	/nfs/dbraw/zinc/12/41/93/563124193.db2.gz	OSAJTADHDCHSBF-BDYUSTAISA-N	1	0	464.569	4.475	1	0		JIAFRO
CCOC[C@@H]([NH3+])c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1	ZINC000036285560	563125244	/nfs/dbraw/zinc/12/52/44/563125244.db2.gz	ZYHGFQPNDQFGAH-OAQYLSRUSA-N	1	0	468.400	4.450	1	0		JIAFRO
CC[C@@H](c1nc2snc(C)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1	ZINC000038749517	563135375	/nfs/dbraw/zinc/13/53/75/563135375.db2.gz	NTQOGRLUBILFEL-QFIPXVFZSA-N	1	0	489.645	4.460	1	0		JIAFRO
COc1ccc2c3c1O[C@H]1c4c(c5cccc(C)c5n4C)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000040404148	563139805	/nfs/dbraw/zinc/13/98/05/563139805.db2.gz	AMJVXDRZEYISSX-KZNIJNHCSA-N	1	0	456.586	4.194	1	0		JIAFRO
COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCCCc2ccccc2)CC1	ZINC000040423432	563142366	/nfs/dbraw/zinc/14/23/66/563142366.db2.gz	OBXYOIBCYPBDKB-UHFFFAOYSA-N	1	0	488.028	4.081	1	0		JIAFRO
O=C(NC[C@@H]1CCCC[C@H]1O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043010106	563164005	/nfs/dbraw/zinc/16/40/05/563164005.db2.gz	GKKXKERIMABTMR-WMZHIEFXSA-N	1	0	478.559	4.311	1	0		JIAFRO
O=C(NCCc1ccc(OCC[NH+]2CCCC2)c(Br)c1)c1ccc(Br)o1	ZINC000043073560	563166511	/nfs/dbraw/zinc/16/65/11/563166511.db2.gz	GVUATWMKHYIUJK-UHFFFAOYSA-N	1	0	486.204	4.252	1	0		JIAFRO
COc1cccc2c1O[C@@H](c1ccc(OC3CC[NH+](C4CCC4)CC3)cc1)[C@H](C)S2(=O)=O	ZINC000043018534	563164787	/nfs/dbraw/zinc/16/47/87/563164787.db2.gz	NCWCOECPJGISBA-BXKMTCNYSA-N	1	0	457.592	4.387	1	0		JIAFRO
O=S(=O)(NCCN1CCCC1)c1ccc(-c2cccc(C[NH2+]Cc3ccc(F)cc3)c2)s1	ZINC000045193644	563176755	/nfs/dbraw/zinc/17/67/55/563176755.db2.gz	AODQQBQPNZBYRU-UHFFFAOYSA-N	1	0	473.639	4.218	1	0		JIAFRO
COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4ccc5ccccc5n4)CC3)c2c1	ZINC000045227687	563180182	/nfs/dbraw/zinc/18/01/82/563180182.db2.gz	USUVWVLZERNKOX-BJBDNRMUSA-N	1	0	482.584	4.119	1	0		JIAFRO
CC(=O)Nc1ccc(C[N@@H+]2CCCN(c3cc(NC(=O)c4cccc(C)c4)ccn3)CC2)cc1	ZINC000045229953	563180983	/nfs/dbraw/zinc/18/09/83/563180983.db2.gz	JPMCNRHSFYFTMH-UHFFFAOYSA-N	1	0	457.578	4.313	1	0		JIAFRO
CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C	ZINC000045284098	563183542	/nfs/dbraw/zinc/18/35/42/563183542.db2.gz	HAXRVMSEENTMGD-GLSIXWEXSA-N	1	0	493.692	4.285	1	0		JIAFRO
CC(C)CNc1nc(NCCC[N@@H+]2CCCC[C@H]2C)ncc1C(=O)NCCc1ccccc1	ZINC000045299769	563185402	/nfs/dbraw/zinc/18/54/02/563185402.db2.gz	REURWKBCNTYIBD-OAQYLSRUSA-N	1	0	452.647	4.193	1	0		JIAFRO
C[N@@H+]1CCC=C(C(=O)NCC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)C1	ZINC000045302721	563186668	/nfs/dbraw/zinc/18/66/68/563186668.db2.gz	PEDGWCYCEHZYSX-UHFFFAOYSA-N	1	0	465.985	4.153	1	0		JIAFRO
COc1c(C)cc(I)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1	ZINC000045321704	563188207	/nfs/dbraw/zinc/18/82/07/563188207.db2.gz	DHGACNUERUPGKO-UHFFFAOYSA-N	1	0	477.346	4.042	1	0		JIAFRO
C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)[NH+](C)C	ZINC000045340277	563191303	/nfs/dbraw/zinc/19/13/03/563191303.db2.gz	JVKWLDWZLXQUEU-NYHFZMIOSA-N	1	0	490.000	4.339	1	0		JIAFRO
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2c[nH]c(C)n2)CC3)cc1	ZINC000049014403	563197124	/nfs/dbraw/zinc/19/71/24/563197124.db2.gz	IEWQTFGFLPFFRK-UHFFFAOYSA-N	1	0	452.624	4.462	1	0		JIAFRO
COc1ccc([C@]23C[C@H]2C[N@H+](CCCSc2nnc(-c4ocnc4C)n2C)C3)cc1Cl	ZINC000049021625	563197715	/nfs/dbraw/zinc/19/77/15/563197715.db2.gz	DHOZKKHZCBDGEK-KSFYIVLOSA-N	1	0	460.003	4.196	1	0		JIAFRO
C[NH2+]CCNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2cccc3ccccc32)c1	ZINC000049033971	563198281	/nfs/dbraw/zinc/19/82/81/563198281.db2.gz	VODCHRGJIRFVGV-UHFFFAOYSA-N	1	0	481.522	4.283	1	0		JIAFRO
CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(N2C(=O)c3cccc4cccc(c43)C2=O)CC1	ZINC000049112201	563202399	/nfs/dbraw/zinc/20/23/99/563202399.db2.gz	KZQWOLUPIXABFR-QFIPXVFZSA-N	1	0	472.585	4.464	1	0		JIAFRO
CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(N2C(=O)c3cccc4cccc(c43)C2=O)CC1	ZINC000049112200	563202452	/nfs/dbraw/zinc/20/24/52/563202452.db2.gz	KZQWOLUPIXABFR-JOCHJYFZSA-N	1	0	472.585	4.464	1	0		JIAFRO
Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3ccc(Br)cc3)C2)n1C	ZINC000049785852	563203873	/nfs/dbraw/zinc/20/38/73/563203873.db2.gz	TXPWWEBUZHUGQI-HRAATJIYSA-N	1	0	474.428	4.297	1	0		JIAFRO
C[NH+]1CCN(c2cccc(N(Cc3cccnc3)S(=O)(=O)c3ccc4ccccc4c3)c2)CC1	ZINC000058583355	563207903	/nfs/dbraw/zinc/20/79/03/563207903.db2.gz	ZZCYCEGPUCSXLP-UHFFFAOYSA-N	1	0	472.614	4.382	1	0		JIAFRO
O[C@@H](COc1ccccc1-c1nc2ccccc2o1)CN1CCC[N@H+](CCc2ccccc2)CC1	ZINC000058589957	563208027	/nfs/dbraw/zinc/20/80/27/563208027.db2.gz	SLDFMVOGHMBAAX-XMMPIXPASA-N	1	0	471.601	4.485	1	0		JIAFRO
O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn32)cc1	ZINC000058591271	563208133	/nfs/dbraw/zinc/20/81/33/563208133.db2.gz	ZDRUVHBRKQJQIU-NRFANRHFSA-N	1	0	460.969	4.144	1	0		JIAFRO
Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OCCF)[N@@H+]3C/C=C/I)cc1	ZINC000058598607	563208286	/nfs/dbraw/zinc/20/82/86/563208286.db2.gz	HOLJKTPTYVYXQS-CHVRVKPSSA-N	1	0	457.327	4.393	1	0		JIAFRO
COc1cc(OC)c([C@@H]2CC[N@H+](C)[C@H]2CO)c(O)c1-c1cc(-c2cccc(Br)c2)n[nH]1	ZINC000058631342	563208537	/nfs/dbraw/zinc/20/85/37/563208537.db2.gz	DUFHNSUPIILYQZ-QAPCUYQASA-N	1	0	488.382	4.009	1	0		JIAFRO
C[N@H+]([C@@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1)C1CCOCC1	ZINC000059223009	563208926	/nfs/dbraw/zinc/20/89/26/563208926.db2.gz	NNOBGKDPTAWVHZ-ZWSUVBHBSA-N	1	0	479.587	4.414	1	0		JIAFRO