smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O	ZINC000001375108	194109332	/nfs/dbraw/zinc/10/93/32/194109332.db2.gz	ZWAUJKXRSSTKDF-JOCHJYFZSA-N	1	0	494.621	3.910	40	0		JHABRO
O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1	ZINC000003841485	194363504	/nfs/dbraw/zinc/36/35/04/194363504.db2.gz	DQFXPCLYGDSKEF-LEWJYISDSA-N	1	0	481.593	3.840	40	0	biogenic,in-vitro	JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1	ZINC000012709998	195094533	/nfs/dbraw/zinc/09/45/33/195094533.db2.gz	ZSFIEZRTXFMWSF-UHFFFAOYSA-N	1	0	470.614	3.876	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NCc1ccccc1	ZINC000012710022	195094539	/nfs/dbraw/zinc/09/45/39/195094539.db2.gz	KCIAUYMCJHENHT-UHFFFAOYSA-N	1	0	478.593	3.743	40	0		JHABRO
Cc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O	ZINC000096296065	130051670	/nfs/dbraw/zinc/05/16/70/130051670.db2.gz	XSWHQEFDHVLYAC-PIZZNKLWSA-N	1	0	490.648	3.546	40	0	biogenic,in-vitro	JHABRO
CC1CC[NH+](CCCNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1	ZINC000013674248	521003925	/nfs/dbraw/zinc/00/39/25/521003925.db2.gz	RRLRWXMIAQJWLF-UHFFFAOYSA-N	1	0	470.850	3.651	40	0		JHABRO
Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044873829	524887719	/nfs/dbraw/zinc/88/77/19/524887719.db2.gz	WHKRHAQYDUZAGE-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3OC)cc2c1	ZINC000006135718	525477259	/nfs/dbraw/zinc/47/72/59/525477259.db2.gz	PTJUMZIFAXZTFE-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
O=C(NCCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000022526343	527665344	/nfs/dbraw/zinc/66/53/44/527665344.db2.gz	DVNRGTAUHSWYSY-UHFFFAOYSA-N	1	0	490.497	3.918	40	0		JHABRO
C[C@@H](NC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccccc1	ZINC000006283196	554526791	/nfs/dbraw/zinc/52/67/91/554526791.db2.gz	QAPZCFGNQQPJSC-QGZVFWFLSA-N	1	0	466.607	3.646	40	0		JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1	ZINC000013500109	555436532	/nfs/dbraw/zinc/43/65/32/555436532.db2.gz	YBEKBTZDJBSDDE-OAQYLSRUSA-N	1	0	466.586	3.672	40	0		JHABRO
Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1	ZINC000013500246	555438136	/nfs/dbraw/zinc/43/81/36/555438136.db2.gz	FQPLZEAGPJGOKR-UNMCSNQZSA-N	1	0	452.603	3.956	40	0		JHABRO
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)cc1OC	ZINC000010111233	555622435	/nfs/dbraw/zinc/62/24/35/555622435.db2.gz	KPPWEHLIGRODPL-UHFFFAOYSA-N	1	0	489.638	3.525	40	0		JHABRO
C[NH+](C)CCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	ZINC000010111409	555622820	/nfs/dbraw/zinc/62/28/20/555622820.db2.gz	CHFYXNAAVWCZTN-UHFFFAOYSA-N	1	0	451.592	3.764	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cc(Cl)cc(Cl)c2)cc1	ZINC000010111375	555622899	/nfs/dbraw/zinc/62/28/99/555622899.db2.gz	WLBQMBIIDJRJPZ-UHFFFAOYSA-N	1	0	458.411	3.565	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cc(C)cc(C)c2)cc1	ZINC000010277463	555671365	/nfs/dbraw/zinc/67/13/65/555671365.db2.gz	JKMCHDKWQADCTO-UHFFFAOYSA-N	1	0	457.640	3.799	40	0		JHABRO
Cc1ccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1C	ZINC000010278413	555671733	/nfs/dbraw/zinc/67/17/33/555671733.db2.gz	XNBKRWWLWADWHN-UHFFFAOYSA-N	1	0	457.640	3.875	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)N1CCN(c2ccccn2)CC1	ZINC000015673526	555932859	/nfs/dbraw/zinc/93/28/59/555932859.db2.gz	KIOMCBDDFQMEDD-VXKWHMMOSA-N	1	0	491.661	3.869	40	0	biogenic,in-vitro	JHABRO
COc1cccc(COC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1	ZINC000012172236	555934073	/nfs/dbraw/zinc/93/40/73/555934073.db2.gz	ZOVUCKWUOWKINK-QHCPKHFHSA-N	1	0	488.584	3.734	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000024189802	556125469	/nfs/dbraw/zinc/12/54/69/556125469.db2.gz	DYCNIUDGKSUTHV-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccc(Br)cc2)c1	ZINC000016681601	556151087	/nfs/dbraw/zinc/15/10/87/556151087.db2.gz	OXBGNOUHHVWGJQ-UHFFFAOYSA-N	1	0	490.398	3.785	40	0		JHABRO
CN1CN(c2ccccc2)C2(CC[NH+](C[C@](C)(c3ccc(F)cc3)C3OCCCO3)CC2)C1=O	ZINC000008651994	562948503	/nfs/dbraw/zinc/94/85/03/562948503.db2.gz	UTXOHXREBPXNEH-AREMUKBSSA-N	1	0	467.585	3.617	40	0		JHABRO
C[C@H](Cc1cc2ccn(CCCO)c2c(C(N)=O)c1)[NH2+]CCOc1ccccc1OCC(F)(F)F	ZINC000034015270	563111786	/nfs/dbraw/zinc/11/17/86/563111786.db2.gz	VICSLOHTZDWOFF-QGZVFWFLSA-N	1	0	493.526	3.663	40	0	in-vitro	JHABRO
Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3S(C)(=O)=O)s1	ZINC000096036920	569732406	/nfs/dbraw/zinc/73/24/06/569732406.db2.gz	FGGBYFGGWFEIFW-UHFFFAOYSA-N	1	0	456.637	3.687	40	0		JHABRO
COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000101351974	569794113	/nfs/dbraw/zinc/79/41/13/569794113.db2.gz	UJPDBNVSNRGNTJ-CXLKWVGHSA-N	1	0	479.964	3.705	40	0		JHABRO
CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218238081	569883082	/nfs/dbraw/zinc/88/30/82/569883082.db2.gz	BOWLFEHJDBTTOD-ZIFCJYIRSA-N	1	0	472.788	3.550	40	0		JHABRO
C[NH+]1CCC(Oc2ccc(NC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)CC1	ZINC000223479767	569912725	/nfs/dbraw/zinc/91/27/25/569912725.db2.gz	GZEHUBQUAUHUPT-UHFFFAOYSA-N	1	0	481.565	3.623	40	0		JHABRO
Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224319379	569940382	/nfs/dbraw/zinc/94/03/82/569940382.db2.gz	HINFNBLSFAXLEV-UHFFFAOYSA-N	1	0	450.004	3.689	40	0		JHABRO
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c2)CC1	ZINC000224507477	569946666	/nfs/dbraw/zinc/94/66/66/569946666.db2.gz	FMRJJYSHDKHCDM-UHFFFAOYSA-N	1	0	455.624	3.633	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	ZINC000224514699	569946938	/nfs/dbraw/zinc/94/69/38/569946938.db2.gz	OQYUSGRZDUZKAB-HSZRJFAPSA-N	1	0	490.069	3.794	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	ZINC000224514748	569946948	/nfs/dbraw/zinc/94/69/48/569946948.db2.gz	OQYUSGRZDUZKAB-QHCPKHFHSA-N	1	0	490.069	3.794	40	0		JHABRO
CC(C)Oc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000224527800	569947237	/nfs/dbraw/zinc/94/72/37/569947237.db2.gz	YIGDSLPNCQKDAB-UHFFFAOYSA-N	1	0	473.639	3.542	40	0		JHABRO
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224594575	569949948	/nfs/dbraw/zinc/94/99/48/569949948.db2.gz	WSIUXHHTNMWUIX-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224661354	569952596	/nfs/dbraw/zinc/95/25/96/569952596.db2.gz	RDQKUVVLKFHKJH-GOSISDBHSA-N	1	0	464.031	3.797	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccccc1F)S(C)(=O)=O	ZINC000224690947	569953683	/nfs/dbraw/zinc/95/36/83/569953683.db2.gz	GTEUGFOQXZOHKQ-JOCHJYFZSA-N	1	0	461.603	3.673	40	0		JHABRO
CSc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1NC(=O)C(C)C	ZINC000225122339	569976352	/nfs/dbraw/zinc/97/63/52/569976352.db2.gz	YEVVFKQYSTYPKT-UHFFFAOYSA-N	1	0	462.641	3.556	40	0		JHABRO
C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1	ZINC000225554651	570005309	/nfs/dbraw/zinc/00/53/09/570005309.db2.gz	LONNOJWDXHUERO-GOSISDBHSA-N	1	0	492.041	3.852	40	0		JHABRO
C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](c4cccc(Cc5ccc(F)cc5)n4)C3)ccn2)CC1	ZINC000257204309	570109175	/nfs/dbraw/zinc/10/91/75/570109175.db2.gz	ATXXOIDIKBJEKU-QHCPKHFHSA-N	1	0	473.596	3.978	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409055743	570111649	/nfs/dbraw/zinc/11/16/49/570111649.db2.gz	PQKXDIPKVMKYAB-MYPDDRRYSA-O	1	0	497.344	3.613	40	0		JHABRO
Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@@H]2c2ccccc2)c1	ZINC000409060739	570113960	/nfs/dbraw/zinc/11/39/60/570113960.db2.gz	XJOCSRPCQRGZCY-KSYIGNPDSA-O	1	0	463.355	3.774	40	0		JHABRO
CC[C@H](C)C[N@@H+]1CCO[C@@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1	ZINC000257225518	570115770	/nfs/dbraw/zinc/11/57/70/570115770.db2.gz	FGNZMCAEEZSCPC-BVZFJXPGSA-N	1	0	467.050	3.826	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000409065279	570116096	/nfs/dbraw/zinc/11/60/96/570116096.db2.gz	FNXJLNJYLYPRPS-QNFOJNSQSA-O	1	0	478.956	3.682	40	0		JHABRO
COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CCN1C	ZINC000257231897	570117566	/nfs/dbraw/zinc/11/75/66/570117566.db2.gz	GIQHIUNGCDFSOU-QFIPXVFZSA-N	1	0	453.558	3.592	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409071055	570118222	/nfs/dbraw/zinc/11/82/22/570118222.db2.gz	ODGRUFJUNZCVFJ-SEKQKOPYSA-O	1	0	478.956	3.763	40	0		JHABRO
O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@@H](Cc2cccn3nccc23)CC1	ZINC000257252563	570123819	/nfs/dbraw/zinc/12/38/19/570123819.db2.gz	JVEYLHAACKLXLB-JOCHJYFZSA-N	1	0	462.594	3.530	40	0		JHABRO
CN1CCN(C(=O)c2cccc(-c3c[nH]nc3[C@@H]3CCC[N@H+](CCOCc4ccccc4)C3)c2)CC1	ZINC000257256666	570125254	/nfs/dbraw/zinc/12/52/54/570125254.db2.gz	KMKGEBMDMMNXGG-AREMUKBSSA-N	1	0	487.648	3.861	40	0		JHABRO
CCCc1ccc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)o1	ZINC000257258789	570125840	/nfs/dbraw/zinc/12/58/40/570125840.db2.gz	KVONOXWPJZYECT-VWLOTQADSA-N	1	0	477.001	3.784	40	0		JHABRO
COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCCN3CCOCC3)CCOCC2)c1	ZINC000257266987	570128499	/nfs/dbraw/zinc/12/84/99/570128499.db2.gz	MFKQHGQSDHOASH-UHFFFAOYSA-N	1	0	470.585	3.679	40	0		JHABRO
COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1	ZINC000257268157	570128938	/nfs/dbraw/zinc/12/89/38/570128938.db2.gz	MKMJBJLJISWRTQ-RRPNLBNLSA-N	1	0	471.601	3.629	40	0		JHABRO
C[N@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(Cl)c2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000257287721	570135052	/nfs/dbraw/zinc/13/50/52/570135052.db2.gz	PRGAEJFCZWFWJQ-CZYKHXBRSA-N	1	0	479.980	3.823	40	0		JHABRO
Cc1noc(C)c1COc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1	ZINC000257307858	570140779	/nfs/dbraw/zinc/14/07/79/570140779.db2.gz	TUKKHBVWSNYICT-MUUNZHRXSA-N	1	0	476.621	3.629	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)C2)cc1	ZINC000260892608	570162103	/nfs/dbraw/zinc/16/21/03/570162103.db2.gz	AHJLHLXAPVGDPK-DEOSSOPVSA-N	1	0	469.651	3.698	40	0		JHABRO
COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)cc1OC	ZINC000329024815	570182191	/nfs/dbraw/zinc/18/21/91/570182191.db2.gz	PBQLKOMMFXORCH-UHFFFAOYSA-N	1	0	477.487	3.620	40	0		JHABRO
C[NH+](C)CCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccncc1	ZINC000001224044	194075625	/nfs/dbraw/zinc/07/56/25/194075625.db2.gz	UVZSLECNJMPGRR-UHFFFAOYSA-N	1	0	475.416	3.785	40	0		JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(OC)cc1	ZINC000001352718	194099652	/nfs/dbraw/zinc/09/96/52/194099652.db2.gz	GGZBUZKFFZEGAW-FQEVSTJZSA-N	1	0	478.549	3.784	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O	ZINC000001375321	194109807	/nfs/dbraw/zinc/10/98/07/194109807.db2.gz	HHRTZTLTTXTNNQ-QFIPXVFZSA-N	1	0	494.621	3.910	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1cccc(Cl)c1	ZINC000020801695	195227152	/nfs/dbraw/zinc/22/71/52/195227152.db2.gz	OYMPSBYCNJGZJC-PMACEKPBSA-N	1	0	475.376	3.522	40	0		JHABRO
Cc1nc(-c2nc(C(=O)NCC[NH+]3CCCC3)c3ccccn32)cn1Cc1ccc(F)cc1F	ZINC000096155186	129978984	/nfs/dbraw/zinc/97/89/84/129978984.db2.gz	XIFHMEMPGBKFQD-UHFFFAOYSA-N	1	0	464.520	3.658	40	0		JHABRO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000096402881	130079259	/nfs/dbraw/zinc/07/92/59/130079259.db2.gz	YLUQWJAHLLAJBJ-IZXSZHORSA-N	1	0	451.526	3.888	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000006193218	520622380	/nfs/dbraw/zinc/62/23/80/520622380.db2.gz	RBGHFRGRPPFTJS-UHFFFAOYSA-N	1	0	494.661	3.908	40	0		JHABRO
CC[NH+](CC)CCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000016693695	520648254	/nfs/dbraw/zinc/64/82/54/520648254.db2.gz	RASZEVNTHAUNMU-UHFFFAOYSA-N	1	0	465.424	3.715	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000044875074	521850974	/nfs/dbraw/zinc/85/09/74/521850974.db2.gz	QHPZGPMOUSUIAJ-DEOSSOPVSA-N	1	0	457.640	3.842	40	0		JHABRO
COc1cc2c(cc1Br)n(C)c(CN1CCCCC1)c2C(=O)OCC[NH+](C)C	ZINC000014944636	522995047	/nfs/dbraw/zinc/99/50/47/522995047.db2.gz	KWPZHYFRYHOSEC-UHFFFAOYSA-N	1	0	452.393	3.654	40	0		JHABRO
COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCN(C(C)=O)CC4)n3)cn2)cc1	ZINC000049155170	523746943	/nfs/dbraw/zinc/74/69/43/523746943.db2.gz	MDANLFYDPQVEBP-QFIPXVFZSA-N	1	0	490.564	3.540	40	0	biogenic,in-vitro	JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C(F)(F)F)c1	ZINC000044873799	525149393	/nfs/dbraw/zinc/14/93/93/525149393.db2.gz	FALZNXBKPIXFEJ-UHFFFAOYSA-N	1	0	483.556	3.774	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1	ZINC000044873761	525149585	/nfs/dbraw/zinc/14/95/85/525149585.db2.gz	WVQMNNPGETVITJ-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1	ZINC000044873756	525150093	/nfs/dbraw/zinc/15/00/93/525150093.db2.gz	IIPMOFHWGAZHJM-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000004127537	525597785	/nfs/dbraw/zinc/59/77/85/525597785.db2.gz	ASANFQYZKSHHKR-LBCJCTBSSA-N	1	0	497.620	3.959	40	0		JHABRO
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000002104875	526237805	/nfs/dbraw/zinc/23/78/05/526237805.db2.gz	MFEBZGVGGHPYMT-LABLHSEPSA-N	1	0	460.014	3.908	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCN(c2ccc(F)cc2)CC1	ZINC000008623672	527125504	/nfs/dbraw/zinc/12/55/04/527125504.db2.gz	LLCXJTLAUGPLAL-VXKWHMMOSA-N	1	0	462.569	3.988	40	0	biogenic,in-vitro	JHABRO
C[C@H](NC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccccc1	ZINC000006283087	554525949	/nfs/dbraw/zinc/52/59/49/554525949.db2.gz	QAPZCFGNQQPJSC-KRWDZBQOSA-N	1	0	466.607	3.646	40	0		JHABRO
COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006409669	554535102	/nfs/dbraw/zinc/53/51/02/554535102.db2.gz	UZUSJIPAOZYVSP-UHFFFAOYSA-N	1	0	452.624	3.674	40	0		JHABRO
COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)CC2	ZINC000008762943	554662898	/nfs/dbraw/zinc/66/28/98/554662898.db2.gz	KVFNXTACKHFLKO-JYPROHJWSA-N	1	0	455.595	3.908	40	0		JHABRO
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)c1	ZINC000008972284	554844360	/nfs/dbraw/zinc/84/43/60/554844360.db2.gz	JVHZBBCMKZLDJA-PQNFPLSNSA-N	1	0	455.580	3.530	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1	ZINC000013498556	555422172	/nfs/dbraw/zinc/42/21/72/555422172.db2.gz	WUCUATGLCKIHOX-XMMPIXPASA-N	1	0	480.613	3.918	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000009991707	555587424	/nfs/dbraw/zinc/58/74/24/555587424.db2.gz	CZFGZTVAXZFSOQ-UHFFFAOYSA-N	1	0	476.042	3.653	40	0		JHABRO
C[NH+](C)CCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	ZINC000010111412	555622791	/nfs/dbraw/zinc/62/27/91/555622791.db2.gz	ORNSAVIEIDDFHQ-UHFFFAOYSA-N	1	0	451.592	3.764	40	0		JHABRO
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc12	ZINC000020083253	555630942	/nfs/dbraw/zinc/63/09/42/555630942.db2.gz	LXVLEBOUIDAJJX-XMMPIXPASA-N	1	0	477.657	3.926	40	0		JHABRO
CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1	ZINC000010277203	555671409	/nfs/dbraw/zinc/67/14/09/555671409.db2.gz	OQCBYHXRMGHDHG-UHFFFAOYSA-N	1	0	457.640	3.998	40	0		JHABRO
Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1	ZINC000010277304	555671477	/nfs/dbraw/zinc/67/14/77/555671477.db2.gz	ABOOOQDDYXSMRR-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010540338	555723753	/nfs/dbraw/zinc/72/37/53/555723753.db2.gz	KCKHORFPLCHMKE-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000015614222	555919404	/nfs/dbraw/zinc/91/94/04/555919404.db2.gz	LSHVSJYDCLUXBY-UHFFFAOYSA-N	1	0	469.651	3.698	40	0		JHABRO
COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1OC	ZINC000022929373	555981709	/nfs/dbraw/zinc/98/17/09/555981709.db2.gz	NBRBFCDSJFPIJE-AREMUKBSSA-N	1	0	494.615	3.917	40	0		JHABRO
CC1(C)C[C@H]([NH2+]CC2CCCCC2)[C@@]2(CCC(=O)NCCN3CCOCC3)CC[C@](C)(O)C[C@@H]12	ZINC000012531474	556001241	/nfs/dbraw/zinc/00/12/41/556001241.db2.gz	YUDCEDGIPXBWKQ-LSGCGUROSA-N	1	0	477.734	3.721	40	0	biogenic,in-vitro	JHABRO
CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1ccccc1F	ZINC000023471977	556074228	/nfs/dbraw/zinc/07/42/28/556074228.db2.gz	FIXNUJQETOOESI-UHFFFAOYSA-N	1	0	467.379	3.988	40	0		JHABRO
Cc1cc(C[C@@H](O)C[NH+]2CCN(C[C@@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl	ZINC000027530958	556291387	/nfs/dbraw/zinc/29/13/87/556291387.db2.gz	ZMUXPASZAVFSHP-NHCUHLMSSA-N	1	0	467.437	3.571	40	0		JHABRO
COc1ccc(CNC[NH2+]C[C@H](CO)[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1OC	ZINC000019328659	556341840	/nfs/dbraw/zinc/34/18/40/556341840.db2.gz	MBIMZLTYUHQLCC-KCWPFWIISA-N	1	0	456.627	3.767	40	0		JHABRO
O=C(c1ccccc1F)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1	ZINC000225474857	560043087	/nfs/dbraw/zinc/04/30/87/560043087.db2.gz	SROFGACNBWTPKS-UHFFFAOYSA-N	1	0	451.567	3.964	40	0	biogenic,in-vitro	JHABRO
C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)[nH]c(=O)n4Cc3ccc(F)cc3)cc2)CC1	ZINC000008686496	562952784	/nfs/dbraw/zinc/95/27/84/562952784.db2.gz	MKFRXHXTYSRVIZ-UHFFFAOYSA-N	1	0	459.525	3.521	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1	ZINC000057313702	569596710	/nfs/dbraw/zinc/59/67/10/569596710.db2.gz	LAHHTPUEOQILEV-UHFFFAOYSA-N	1	0	481.405	3.659	40	0		JHABRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000033784866	569634869	/nfs/dbraw/zinc/63/48/69/569634869.db2.gz	AYRAODBRFZDFIE-CBUXHAPBSA-N	1	0	451.526	3.685	40	0		JHABRO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000034856480	569667363	/nfs/dbraw/zinc/66/73/63/569667363.db2.gz	YLUQWJAHLLAJBJ-DHMIZTNRSA-N	1	0	451.526	3.888	40	0		JHABRO
COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)[NH2+][C@H](C)C4)cc3)n[nH]2)cc(OC)c1	ZINC000091352093	569721274	/nfs/dbraw/zinc/72/12/74/569721274.db2.gz	VRQMAABPASPXMW-QZTJIDSGSA-N	1	0	463.582	3.651	40	0	in-man	JHABRO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101343739	569793679	/nfs/dbraw/zinc/79/36/79/569793679.db2.gz	CORTVJDNQYEVRF-NWFVXXGESA-N	1	0	474.319	3.872	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000038772870	569807819	/nfs/dbraw/zinc/80/78/19/569807819.db2.gz	ITSRFAIWQRYHOY-LJQANCHMSA-N	1	0	471.623	3.964	40	0		JHABRO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000044874397	569839674	/nfs/dbraw/zinc/83/96/74/569839674.db2.gz	XVYQFNKYFYARQA-SFHVURJKSA-N	1	0	464.031	3.797	40	0		JHABRO
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000049662115	569849941	/nfs/dbraw/zinc/84/99/41/569849941.db2.gz	OENXBRAOGMLWJQ-YTKPIUIESA-N	1	0	450.623	3.602	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218670891	569883491	/nfs/dbraw/zinc/88/34/91/569883491.db2.gz	QKKZJRGUJBBEID-LQWHRVPQSA-N	1	0	454.951	3.641	40	0		JHABRO
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCCCC2)cc1OC	ZINC000223350088	569908219	/nfs/dbraw/zinc/90/82/19/569908219.db2.gz	AZCALKXRYGVAIR-UZYVYHOESA-N	1	0	471.623	3.919	40	0		JHABRO
COC(=O)CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1	ZINC000223382770	569909405	/nfs/dbraw/zinc/90/94/05/569909405.db2.gz	WUGDTSKODXIDIP-UHFFFAOYSA-N	1	0	454.577	3.614	40	0		JHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1	ZINC000224318984	569940330	/nfs/dbraw/zinc/94/03/30/569940330.db2.gz	JBMKUYOUTDWPCF-NRFANRHFSA-N	1	0	485.650	3.512	40	0		JHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1	ZINC000224395935	569943140	/nfs/dbraw/zinc/94/31/40/569943140.db2.gz	KYKYBUFSFARFHP-JOCHJYFZSA-N	1	0	499.677	3.902	40	0		JHABRO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000224508428	569946661	/nfs/dbraw/zinc/94/66/61/569946661.db2.gz	YNGJGZVOWSRQOP-QGZVFWFLSA-N	1	0	483.556	3.772	40	0		JHABRO
CCOc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224512362	569946824	/nfs/dbraw/zinc/94/68/24/569946824.db2.gz	BZBPELFUZMRCAJ-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
COc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(=O)(=O)c1ccccc1	ZINC000224595233	569949905	/nfs/dbraw/zinc/94/99/05/569949905.db2.gz	XGSRAUYWCQFECX-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1Cl	ZINC000224601100	569950140	/nfs/dbraw/zinc/95/01/40/569950140.db2.gz	JPMIGSBPDONJRX-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000224610565	569950622	/nfs/dbraw/zinc/95/06/22/569950622.db2.gz	UTCCZMUDOMHDHK-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000224618708	569950988	/nfs/dbraw/zinc/95/09/88/569950988.db2.gz	WGFFNUYMBISNCD-UHFFFAOYSA-N	1	0	476.042	3.653	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224638705	569951818	/nfs/dbraw/zinc/95/18/18/569951818.db2.gz	RGGJWCOYBHIZTQ-UHFFFAOYSA-N	1	0	499.677	3.715	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000224832674	569959569	/nfs/dbraw/zinc/95/95/69/569959569.db2.gz	UDPWUZXDMXZPEH-DEOSSOPVSA-N	1	0	457.640	3.842	40	0		JHABRO
COc1cccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000224846740	569960147	/nfs/dbraw/zinc/96/01/47/569960147.db2.gz	JOJXITOAQXZHOO-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
COc1cc(NC(=S)NC2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1	ZINC000225227816	569984106	/nfs/dbraw/zinc/98/41/06/569984106.db2.gz	PVLWJNRUOOUYKT-UHFFFAOYSA-N	1	0	475.611	3.681	40	0		JHABRO
Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000225772495	570020872	/nfs/dbraw/zinc/02/08/72/570020872.db2.gz	XXUOLLZGGZQDHO-UHFFFAOYSA-N	1	0	473.639	3.961	40	0		JHABRO
CCN(c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1	ZINC000408701357	570021787	/nfs/dbraw/zinc/02/17/87/570021787.db2.gz	WPZPUVQWWCDPTF-UHFFFAOYSA-N	1	0	461.653	3.839	40	0		JHABRO
COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@H]4CCCN(C5CC[NH2+]CC5)C4)nc32)cc1	ZINC000257200033	570107676	/nfs/dbraw/zinc/10/76/76/570107676.db2.gz	ABSVTGRIDTXLNC-QFIPXVFZSA-N	1	0	477.653	3.637	40	0		JHABRO
Cc1cc2ncn(CCC(=O)N3CCCC[C@@H]3C3CC[NH+](CC(=O)N4CCCC4)CC3)c2cc1C	ZINC000257210017	570111130	/nfs/dbraw/zinc/11/11/30/570111130.db2.gz	BSUBPOLMHMCLNS-RUZDIDTESA-N	1	0	479.669	3.759	40	0		JHABRO
Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000409054666	570111270	/nfs/dbraw/zinc/11/12/70/570111270.db2.gz	AXRKSJXLANIUCJ-BJKOFHAPSA-O	1	0	461.973	3.731	40	0		JHABRO
Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409057379	570112401	/nfs/dbraw/zinc/11/24/01/570112401.db2.gz	PAHAOCQEVQOAHC-KSYIGNPDSA-O	1	0	463.355	3.774	40	0		JHABRO
CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN(C)Cc1cccnc1	ZINC000257215712	570112734	/nfs/dbraw/zinc/11/27/34/570112734.db2.gz	CRHMANKKTILNRF-NWFYCVFPSA-N	1	0	474.649	3.905	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409058709	570112987	/nfs/dbraw/zinc/11/29/87/570112987.db2.gz	KLESCTVZRUBAAW-IZZNHLLZSA-O	1	0	455.582	3.857	40	0		JHABRO
C[N@@H+]1CCN(C(=O)C(C)(C)NC(=O)c2ccc(F)cc2)C[C@H](Cc2cccc3cccnc32)C1	ZINC000257218137	570113609	/nfs/dbraw/zinc/11/36/09/570113609.db2.gz	DBZIBFNXPJZUJC-LJQANCHMSA-N	1	0	462.569	3.515	40	0		JHABRO
O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2	ZINC000257220452	570114173	/nfs/dbraw/zinc/11/41/73/570114173.db2.gz	DKWQBKKEWWRRAS-AOYPEHQESA-N	1	0	452.551	3.627	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409061182	570114363	/nfs/dbraw/zinc/11/43/63/570114363.db2.gz	XUGNKZWDDWFHPD-KAYWLYCHSA-O	1	0	485.608	3.866	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409061316	570114421	/nfs/dbraw/zinc/11/44/21/570114421.db2.gz	ZEISMWGVHVGNDE-OCZZZQCFSA-O	1	0	478.956	3.763	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409061515	570114499	/nfs/dbraw/zinc/11/44/99/570114499.db2.gz	DXEKOPJJMIHWFO-MAANWLFQSA-O	1	0	478.956	3.682	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409061644	570114517	/nfs/dbraw/zinc/11/45/17/570114517.db2.gz	YXILEZUITDJLDZ-UIOOFZCWSA-O	1	0	473.572	3.996	40	0		JHABRO
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CC[NH+]2CCCC2)CC[C@@H]1Oc1ccccc1	ZINC000257224366	570115425	/nfs/dbraw/zinc/11/54/25/570115425.db2.gz	FBNSPTZYQVOQKE-AHWVRZQESA-N	1	0	463.622	3.817	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1	ZINC000409063690	570115583	/nfs/dbraw/zinc/11/55/83/570115583.db2.gz	AZXYMYHXLMORJS-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
CC[C@@H](C)C[N@@H+]1CCO[C@@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1	ZINC000257225519	570115653	/nfs/dbraw/zinc/11/56/53/570115653.db2.gz	FGNZMCAEEZSCPC-CJAUYULYSA-N	1	0	467.050	3.826	40	0		JHABRO
CC[C@H](C)C[N@@H+]1CCO[C@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1	ZINC000257225517	570115763	/nfs/dbraw/zinc/11/57/63/570115763.db2.gz	FGNZMCAEEZSCPC-AVRWGWEMSA-N	1	0	467.050	3.826	40	0		JHABRO
CC1(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)CC[NH+](CCc2ccccc2)CC1	ZINC000257225240	570115769	/nfs/dbraw/zinc/11/57/69/570115769.db2.gz	FFKDPENQRZDLOV-XMMPIXPASA-N	1	0	460.622	3.697	40	0		JHABRO
Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)C3CC[NH+](C4CCN(C)CC4)CC3)n2)nc1	ZINC000257227581	570116285	/nfs/dbraw/zinc/11/62/85/570116285.db2.gz	FPZGMHOWOJIQBN-VWLOTQADSA-N	1	0	490.652	3.507	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409069223	570117544	/nfs/dbraw/zinc/11/75/44/570117544.db2.gz	MAHCNVWIUKSDMY-SVBPBHIXSA-O	1	0	485.608	3.866	40	0		JHABRO
CN1CCN(C(=O)c2cccc(-c3c[nH]nc3[C@H]3CCC[N@H+](CCOCc4ccccc4)C3)c2)CC1	ZINC000257256667	570125279	/nfs/dbraw/zinc/12/52/79/570125279.db2.gz	KMKGEBMDMMNXGG-SANMLTNESA-N	1	0	487.648	3.861	40	0		JHABRO
Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)CC2)n1	ZINC000257266479	570128373	/nfs/dbraw/zinc/12/83/73/570128373.db2.gz	MDEQQSJSZPDGSF-UHFFFAOYSA-N	1	0	472.593	3.744	40	0		JHABRO
OCCCOc1ccc(C[N@H+](CCCO)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1	ZINC000257266803	570128589	/nfs/dbraw/zinc/12/85/89/570128589.db2.gz	MEOPMJQNHWSTET-QHCPKHFHSA-N	1	0	462.590	3.801	40	0		JHABRO
CC[NH+]1CCN(CCCNC(=O)[C@@]2(Cc3cccc(-c4ccccc4OC)c3)CCCO2)CC1	ZINC000257267426	570128757	/nfs/dbraw/zinc/12/87/57/570128757.db2.gz	MHGWVIMGSOTZLU-NDEPHWFRSA-N	1	0	465.638	3.598	40	0		JHABRO
Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCN2C(=O)COc3ccc(Cl)cc32)n1	ZINC000257270511	570129692	/nfs/dbraw/zinc/12/96/92/570129692.db2.gz	MUNKLHRXODYTPK-LJQANCHMSA-N	1	0	465.941	3.708	40	0		JHABRO
COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1	ZINC000257275544	570131340	/nfs/dbraw/zinc/13/13/40/570131340.db2.gz	NPVGPVKXVGPDSK-FXSPECFOSA-N	1	0	461.566	3.693	40	0		JHABRO
CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(CC(=O)N4CC(=O)Nc5ccccc54)C[C@@H]3C[C@@H]21	ZINC000257281889	570133229	/nfs/dbraw/zinc/13/32/29/570133229.db2.gz	ORIZNRYUJPKNBC-VHQVNRRWSA-N	1	0	461.562	3.611	40	0		JHABRO
CCCCOc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)cc1	ZINC000257289441	570135365	/nfs/dbraw/zinc/13/53/65/570135365.db2.gz	PYPKHQVRVBGKLQ-BDYUSTAISA-N	1	0	451.611	3.905	40	0		JHABRO
O=C(NC1CCCC1)c1cnn2c1nccc2[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000257290421	570135716	/nfs/dbraw/zinc/13/57/16/570135716.db2.gz	QCWTYAQCZSTCJS-XMMPIXPASA-N	1	0	486.620	3.975	40	0		JHABRO
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccc(F)c(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1	ZINC000257294199	570136652	/nfs/dbraw/zinc/13/66/52/570136652.db2.gz	QTAMYOYTOIBCFL-LUKWVAJMSA-N	1	0	478.536	3.879	40	0		JHABRO
COCC[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21	ZINC000257315717	570143209	/nfs/dbraw/zinc/14/32/09/570143209.db2.gz	VCMZNOPKEVBBBU-XMMPIXPASA-N	1	0	492.616	3.692	40	0		JHABRO
CN(C)c1cc([C@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)C2)ccn1	ZINC000257319188	570144258	/nfs/dbraw/zinc/14/42/58/570144258.db2.gz	VRDSMENWGSJEQA-QFIPXVFZSA-N	1	0	466.601	3.864	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@H](Cc3cccc4occc43)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257334166	570148897	/nfs/dbraw/zinc/14/88/97/570148897.db2.gz	YEUQVIUATLABLK-HXUWFJFHSA-N	1	0	462.594	3.846	40	0		JHABRO
Cc1cnn(C)c1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257338089	570149818	/nfs/dbraw/zinc/14/98/18/570149818.db2.gz	YVTMVRVUNRIWBW-RUZDIDTESA-N	1	0	475.033	3.600	40	0		JHABRO
CCn1cc(C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000257360788	570153907	/nfs/dbraw/zinc/15/39/07/570153907.db2.gz	HJDYTPQRSBDNJD-FBRPZDKASA-N	1	0	475.589	3.785	40	0		JHABRO
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000260890715	570161933	/nfs/dbraw/zinc/16/19/33/570161933.db2.gz	QKRYPGYURIHSRE-GOSISDBHSA-N	1	0	494.057	3.805	40	0		JHABRO
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000260899842	570162710	/nfs/dbraw/zinc/16/27/10/570162710.db2.gz	QILUAJYWDTVWIQ-GOSISDBHSA-N	1	0	494.057	3.805	40	0		JHABRO
C[C@H](C(=O)NCC[NH+]1CCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O	ZINC000030883703	291514804	/nfs/dbraw/zinc/51/48/04/291514804.db2.gz	LGZBVQKVXZUYSN-MJBMUZESSA-N	1	0	463.707	3.579	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1	ZINC000001374243	194108277	/nfs/dbraw/zinc/10/82/77/194108277.db2.gz	NDPMTIUUVKDGGS-QFIPXVFZSA-N	1	0	466.586	3.672	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H]([NH2+]CCNC(C)=O)C[C@@H](c3ccc(C)cc3)N21	ZINC000012602922	195048161	/nfs/dbraw/zinc/04/81/61/195048161.db2.gz	KFIDKOIJKFVSEG-ZFILCQGISA-N	1	0	474.605	3.547	40	0	biogenic,in-vitro	JHABRO
CC(C)[NH2+]C[C@@H](COc1cccc2ccccc21)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000068561583	519723254	/nfs/dbraw/zinc/72/32/54/519723254.db2.gz	BLNIEJCIGFSRKW-OKQJERNYSA-N	1	0	485.650	3.854	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O	ZINC000006193234	520623110	/nfs/dbraw/zinc/62/31/10/520623110.db2.gz	LDKPNASXWPWOKZ-UHFFFAOYSA-N	1	0	456.612	3.738	40	0		JHABRO
CCOc1cc(NC(=S)NCCC[NH+](C)C)c(OCC)cc1NC(=O)c1ccc(OC)cc1	ZINC000006089673	520760175	/nfs/dbraw/zinc/76/01/75/520760175.db2.gz	CCRFBLURPQVERK-UHFFFAOYSA-N	1	0	474.627	3.983	40	0		JHABRO
Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000013646526	524117326	/nfs/dbraw/zinc/11/73/26/524117326.db2.gz	FVLCDLGCOFZCOD-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044873834	524728265	/nfs/dbraw/zinc/72/82/65/524728265.db2.gz	CAWYDRCSJIFWDP-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl	ZINC000044857346	525150920	/nfs/dbraw/zinc/15/09/20/525150920.db2.gz	RBLPEOQWPLJNNW-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
C[C@]1(C[NH+]2CCCC2)COc2c(I)cc(I)cc2C1=O	ZINC000016578167	525243272	/nfs/dbraw/zinc/24/32/72/525243272.db2.gz	RNZUKTHJGBVSBO-HNNXBMFYSA-N	1	0	497.114	3.573	40	0		JHABRO
Cc1ccc(C(=O)NCCCCCC[NH2+]CCCCCCNC(=O)c2ccc(C)nc2)cn1	ZINC000095115819	526160019	/nfs/dbraw/zinc/16/00/19/526160019.db2.gz	HCAZHCFKWPNGOC-UHFFFAOYSA-N	1	0	453.631	3.964	40	0		JHABRO
C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(COc3ccc(Br)cc3Cl)n1)C2	ZINC000002797910	554351197	/nfs/dbraw/zinc/35/11/97/554351197.db2.gz	YJUUKFVBLBLAGM-GOOCMWNKSA-N	1	0	453.768	3.691	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccc(F)cc1	ZINC000006193388	554517370	/nfs/dbraw/zinc/51/73/70/554517370.db2.gz	OYTZWVZNDUHQLM-UHFFFAOYSA-N	1	0	484.597	3.979	40	0		JHABRO
COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006410228	554535293	/nfs/dbraw/zinc/53/52/93/554535293.db2.gz	KNYNRAARTBPUCS-UHFFFAOYSA-N	1	0	466.651	3.982	40	0		JHABRO
COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000009062517	554880200	/nfs/dbraw/zinc/88/02/00/554880200.db2.gz	VKDMJPMNWLTPLT-UHFFFAOYSA-N	1	0	471.623	3.721	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O	ZINC000013498775	555424784	/nfs/dbraw/zinc/42/47/84/555424784.db2.gz	RUXDARKBHZYPAH-QFIPXVFZSA-N	1	0	482.610	3.631	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1	ZINC000013500672	555442566	/nfs/dbraw/zinc/44/25/66/555442566.db2.gz	SLFGHWIBSTZOOS-XMMPIXPASA-N	1	0	496.612	3.618	40	0		JHABRO
CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cc1	ZINC000013632744	555542619	/nfs/dbraw/zinc/54/26/19/555542619.db2.gz	VPKFDZXOGKBHJH-UHFFFAOYSA-N	1	0	461.653	3.839	40	0		JHABRO
Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1	ZINC000019941463	555560621	/nfs/dbraw/zinc/56/06/21/555560621.db2.gz	MKPZGFUXMUVHQO-HHHXNRCGSA-N	1	0	497.647	3.911	40	0		JHABRO
Cc1cccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1C	ZINC000013671612	555563245	/nfs/dbraw/zinc/56/32/45/555563245.db2.gz	KFKIFWLPGPAXQB-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1	ZINC000020083549	555631328	/nfs/dbraw/zinc/63/13/28/555631328.db2.gz	YFUFSDDIJJIUDO-HYBUGGRVSA-N	1	0	461.614	3.506	40	0		JHABRO
Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1	ZINC000010277324	555671436	/nfs/dbraw/zinc/67/14/36/555671436.db2.gz	YVOVZOZUEZEXKX-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000010278725	555671987	/nfs/dbraw/zinc/67/19/87/555671987.db2.gz	PDWSIIIPLHJKIS-UHFFFAOYSA-N	1	0	487.710	3.913	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	ZINC000010450116	555716730	/nfs/dbraw/zinc/71/67/30/555716730.db2.gz	MQHUHAQZVGDVOQ-UHFFFAOYSA-N	1	0	464.031	3.754	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1	ZINC000010540890	555724316	/nfs/dbraw/zinc/72/43/16/555724316.db2.gz	GVOHPPHUOULRCR-UHFFFAOYSA-N	1	0	482.021	3.913	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1	ZINC000021595688	555853533	/nfs/dbraw/zinc/85/35/33/555853533.db2.gz	JVZQLHKAQJOUOL-UHFFFAOYSA-N	1	0	481.405	3.659	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000022924958	555977340	/nfs/dbraw/zinc/97/73/40/555977340.db2.gz	JLXKBSWKEPPCTM-DEOSSOPVSA-N	1	0	493.656	3.708	40	0		JHABRO
COc1ccccc1C[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)N1CCOCC1	ZINC000012531491	556001184	/nfs/dbraw/zinc/00/11/84/556001184.db2.gz	VINJTTLLZLAICD-ZCUSHOGSSA-N	1	0	458.643	3.760	40	0	biogenic,in-vitro	JHABRO
COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000019367140	556346235	/nfs/dbraw/zinc/34/62/35/556346235.db2.gz	QTLRAYBBJLKXOP-XMMPIXPASA-N	1	0	450.562	3.519	40	0		JHABRO
CC(C)[NH2+]C[C@H](COc1cccc2ccccc21)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000068561578	569691123	/nfs/dbraw/zinc/69/11/23/569691123.db2.gz	BLNIEJCIGFSRKW-UYGRPXGYSA-N	1	0	485.650	3.854	40	0		JHABRO
COc1cc2c(cc1OC)C[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@H](C)C2	ZINC000105371798	569852950	/nfs/dbraw/zinc/85/29/50/569852950.db2.gz	HEAXKDZPAXOEMH-MFIHTSOBSA-N	1	0	455.595	3.735	40	0		JHABRO
COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C	ZINC000223250264	569904887	/nfs/dbraw/zinc/90/48/87/569904887.db2.gz	WRCDYVDVJMFTPT-PKTZIBPZSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cccc(N(CCCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1C	ZINC000223264517	569905396	/nfs/dbraw/zinc/90/53/96/569905396.db2.gz	QVPUSOUUHKDFOB-UHFFFAOYSA-N	1	0	473.639	3.961	40	0		JHABRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223456138	569911906	/nfs/dbraw/zinc/91/19/06/569911906.db2.gz	OTZBSOUNSOILSG-UIOOFZCWSA-N	1	0	490.677	3.790	40	0		JHABRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223491955	569913327	/nfs/dbraw/zinc/91/33/27/569913327.db2.gz	HFWIETPRZLHZQM-UIOOFZCWSA-N	1	0	490.677	3.790	40	0		JHABRO
CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	ZINC000224318836	569940356	/nfs/dbraw/zinc/94/03/56/569940356.db2.gz	BCTOFOQLHFWRQU-UHFFFAOYSA-N	1	0	485.650	3.512	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000224509919	569946723	/nfs/dbraw/zinc/94/67/23/569946723.db2.gz	JUXSZKYTJKAUCA-HSZRJFAPSA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000224509999	569946756	/nfs/dbraw/zinc/94/67/56/569946756.db2.gz	NNYCGTPHVJZFFB-DEOSSOPVSA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000224511356	569946830	/nfs/dbraw/zinc/94/68/30/569946830.db2.gz	AQPQVJKNYZSUGU-OAQYLSRUSA-N	1	0	494.057	3.805	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	ZINC000224529785	569947413	/nfs/dbraw/zinc/94/74/13/569947413.db2.gz	NHHJOTCTAUSDCR-QFIPXVFZSA-N	1	0	461.603	3.673	40	0		JHABRO
CN(c1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1)S(C)(=O)=O	ZINC000224533823	569947523	/nfs/dbraw/zinc/94/75/23/569947523.db2.gz	OUKBWLHXNLBFLY-UHFFFAOYSA-N	1	0	450.004	3.652	40	0		JHABRO
COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000224565393	569948627	/nfs/dbraw/zinc/94/86/27/569948627.db2.gz	KOUMIVZBQNDMMU-BWAHOGKJSA-N	1	0	459.546	3.624	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000224619841	569951046	/nfs/dbraw/zinc/95/10/46/569951046.db2.gz	QUHUZFBOSQQUNY-DEOSSOPVSA-N	1	0	457.640	3.760	40	0		JHABRO
CSc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(=O)N1CCCC1	ZINC000224620984	569951063	/nfs/dbraw/zinc/95/10/63/569951063.db2.gz	ALTHAYPSHROGQY-UHFFFAOYSA-N	1	0	473.664	3.719	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	ZINC000224635354	569951748	/nfs/dbraw/zinc/95/17/48/569951748.db2.gz	BLTXTOXVALBCBX-QHCPKHFHSA-N	1	0	490.069	3.794	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1Br	ZINC000224815616	569958869	/nfs/dbraw/zinc/95/88/69/569958869.db2.gz	XXMKDYZCVHJOEL-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224821156	569959168	/nfs/dbraw/zinc/95/91/68/569959168.db2.gz	WZQUWRZPRUOMAM-GOSISDBHSA-N	1	0	464.031	3.797	40	0		JHABRO
COc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224846798	569960202	/nfs/dbraw/zinc/96/02/02/569960202.db2.gz	ZQVUXIZJWZQDTL-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
C[C@]1(O)C[N@H+](Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)CC[C@@H]1Oc1ccccc1	ZINC000257206577	570109855	/nfs/dbraw/zinc/10/98/55/570109855.db2.gz	BEBOBPJGZVAAAX-XCZPVHLTSA-N	1	0	476.573	3.534	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409055745	570111671	/nfs/dbraw/zinc/11/16/71/570111671.db2.gz	PQKXDIPKVMKYAB-NGTVUAHZSA-O	1	0	497.344	3.613	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1	ZINC000409059582	570113394	/nfs/dbraw/zinc/11/33/94/570113394.db2.gz	SFORDMNDNDEOQY-FTJBHMTQSA-O	1	0	455.582	3.857	40	0		JHABRO
C[N@@H+]1CCN(C(=O)C(C)(C)NC(=O)c2ccc(F)cc2)C[C@@H](Cc2cccc3cccnc32)C1	ZINC000257218136	570113572	/nfs/dbraw/zinc/11/35/72/570113572.db2.gz	DBZIBFNXPJZUJC-IBGZPJMESA-N	1	0	462.569	3.515	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409060796	570114068	/nfs/dbraw/zinc/11/40/68/570114068.db2.gz	YCRFLAFIHSKGKK-RRPNLBNLSA-O	1	0	485.608	3.866	40	0		JHABRO
COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409061108	570114344	/nfs/dbraw/zinc/11/43/44/570114344.db2.gz	VHVKLMXZVGPKFK-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409061311	570114366	/nfs/dbraw/zinc/11/43/66/570114366.db2.gz	ZEISMWGVHVGNDE-CCFRHWNESA-O	1	0	478.956	3.763	40	0		JHABRO
COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000409061389	570114480	/nfs/dbraw/zinc/11/44/80/570114480.db2.gz	ZHQJHEFBGUKACE-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409061318	570114500	/nfs/dbraw/zinc/11/45/00/570114500.db2.gz	ZEISMWGVHVGNDE-SEKQKOPYSA-O	1	0	478.956	3.763	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409061534	570114524	/nfs/dbraw/zinc/11/45/24/570114524.db2.gz	FDEHQPVYUAUMBL-NATLPHSKSA-O	1	0	466.920	3.894	40	0		JHABRO
CC1(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)CC[NH+](CCc2ccccc2)CC1	ZINC000257225239	570115747	/nfs/dbraw/zinc/11/57/47/570115747.db2.gz	FFKDPENQRZDLOV-DEOSSOPVSA-N	1	0	460.622	3.697	40	0		JHABRO
Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409065181	570116095	/nfs/dbraw/zinc/11/60/95/570116095.db2.gz	DWJKQHCXQDMENX-DNQXCXABSA-O	1	0	461.973	3.731	40	0		JHABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)O3)CC1	ZINC000257230942	570117263	/nfs/dbraw/zinc/11/72/63/570117263.db2.gz	GEOSUKVXJJFSCY-AREMUKBSSA-N	1	0	469.532	3.847	40	0		JHABRO
COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COC[C@H]4CCCO4)C[C@@H]32)cc1	ZINC000257253876	570124389	/nfs/dbraw/zinc/12/43/89/570124389.db2.gz	KAPTZAFCROMQDD-FPCALVHFSA-N	1	0	464.606	3.707	40	0		JHABRO
CNC(=O)C1(CC2CC[NH2+]CC2)CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)CC1	ZINC000257257561	570125508	/nfs/dbraw/zinc/12/55/08/570125508.db2.gz	KQCZAFVIFLVUKM-UHFFFAOYSA-N	1	0	467.585	3.763	40	0		JHABRO
C[C@]1(O)CN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@H]1Oc1ccccc1	ZINC000257263760	570127455	/nfs/dbraw/zinc/12/74/55/570127455.db2.gz	LRIFZROCTLBULY-URXFXBBRSA-N	1	0	455.555	3.716	40	0		JHABRO
OCCCOc1ccc(C[N@H+](CCCO)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1	ZINC000257266802	570128534	/nfs/dbraw/zinc/12/85/34/570128534.db2.gz	MEOPMJQNHWSTET-HSZRJFAPSA-N	1	0	462.590	3.801	40	0		JHABRO
COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1	ZINC000257268158	570128982	/nfs/dbraw/zinc/12/89/82/570128982.db2.gz	MKMJBJLJISWRTQ-SVBPBHIXSA-N	1	0	471.601	3.629	40	0		JHABRO
COc1ccccc1-c1ccc(CC2(C(=O)N[C@H](C)CN3CCOCC3)CCOCC2)cc1	ZINC000257281024	570132960	/nfs/dbraw/zinc/13/29/60/570132960.db2.gz	ONIWJCPFMFCIES-OAQYLSRUSA-N	1	0	452.595	3.538	40	0		JHABRO
C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H]3c3cccc(Cc4ccccc4F)n3)ccn2)CC1	ZINC000257306846	570140376	/nfs/dbraw/zinc/14/03/76/570140376.db2.gz	SWGPFNHQODCSJZ-RUZDIDTESA-N	1	0	459.569	3.936	40	0		JHABRO
CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3C(=O)c3ccccc3OCC[NH+](C)C)ccc2c1N	ZINC000257310424	570141570	/nfs/dbraw/zinc/14/15/70/570141570.db2.gz	UFAIAWLCSLAHNF-FQEVSTJZSA-N	1	0	495.649	3.888	40	0		JHABRO
CC1(C(=O)N2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)CC[NH+](CCc2ccccc2)CC1	ZINC000257329381	570147402	/nfs/dbraw/zinc/14/74/02/570147402.db2.gz	XJTHFJBVEBYRKB-XMMPIXPASA-N	1	0	460.622	3.925	40	0		JHABRO
COc1ccccc1[C@@H]1CN(C(=O)C2(C)CC[NH+](CCc3ccccc3)CC2)CCN1C(C)=O	ZINC000257330968	570147797	/nfs/dbraw/zinc/14/77/97/570147797.db2.gz	XQUVDAUREQEOPN-VWLOTQADSA-N	1	0	463.622	3.772	40	0		JHABRO
CCOc1ccc(N([C@H](CC)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1	ZINC000260890742	570161931	/nfs/dbraw/zinc/16/19/31/570161931.db2.gz	QTOUAPBVEIWPPC-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1ccc(C)c(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000260899750	570162708	/nfs/dbraw/zinc/16/27/08/570162708.db2.gz	PVTQARRKRRRJFE-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1cc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC	ZINC000001335661	194094142	/nfs/dbraw/zinc/09/41/42/194094142.db2.gz	LZOLGVDORKYTQE-UHFFFAOYSA-N	1	0	458.946	3.794	40	0		JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1	ZINC000001336017	194095140	/nfs/dbraw/zinc/09/51/40/194095140.db2.gz	YUYKXIJAZVFSIW-NRFANRHFSA-N	1	0	462.550	3.818	40	0		JHABRO
O=C(Nc1ccc(F)cc1)N(CC[NH+]1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000001342203	194098594	/nfs/dbraw/zinc/09/85/94/194098594.db2.gz	KGBTXLDOHXYFKN-UHFFFAOYSA-N	1	0	466.513	3.568	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O	ZINC000001375107	194109403	/nfs/dbraw/zinc/10/94/03/194109403.db2.gz	ZWAUJKXRSSTKDF-QFIPXVFZSA-N	1	0	494.621	3.910	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCCc1ccccc1	ZINC000006193351	194419764	/nfs/dbraw/zinc/41/97/64/194419764.db2.gz	QTNLBVRMOCOSPW-UHFFFAOYSA-N	1	0	466.651	3.798	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH+]3CCOCC3)C[C@@H](c3ccc(F)cc3)N21	ZINC000012603245	195048420	/nfs/dbraw/zinc/04/84/20/195048420.db2.gz	XYPFTBZGCMKASS-IODBPXAYSA-N	1	0	463.553	3.984	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1	ZINC000020637096	195192011	/nfs/dbraw/zinc/19/20/11/195192011.db2.gz	DGQYPFBQLFCCDA-WOJBJXKFSA-N	1	0	475.376	3.522	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1	ZINC000006193129	520621898	/nfs/dbraw/zinc/62/18/98/520621898.db2.gz	FFTMGXMWQILVQI-UHFFFAOYSA-N	1	0	474.671	3.896	40	0		JHABRO
COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1	ZINC000020504017	523108515	/nfs/dbraw/zinc/10/85/15/523108515.db2.gz	KHWWHACQSMQRCE-DQEYMECFSA-N	1	0	488.632	3.853	40	0	biogenic,in-vitro	JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000044872726	526656450	/nfs/dbraw/zinc/65/64/50/526656450.db2.gz	SSSJYERVOWNCBK-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
COc1cc2cc(CN(CCC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1OC	ZINC000006283192	554526773	/nfs/dbraw/zinc/52/67/73/554526773.db2.gz	BWIJZSZRSIHQDA-GOSISDBHSA-N	1	0	482.650	3.935	40	0		JHABRO
COc1ccc(CCNC(=S)N(CC[NH+](C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC	ZINC000006301322	554529754	/nfs/dbraw/zinc/52/97/54/554529754.db2.gz	HXIQEESCSYRKAK-UHFFFAOYSA-N	1	0	496.677	3.643	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000009062724	554880321	/nfs/dbraw/zinc/88/03/21/554880321.db2.gz	WWWQNNDBDXBSTP-UHFFFAOYSA-N	1	0	489.613	3.860	40	0		JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1	ZINC000013500147	555436790	/nfs/dbraw/zinc/43/67/90/555436790.db2.gz	RNNXGVBBFUFUQR-JOCHJYFZSA-N	1	0	466.586	3.672	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(F)cc2)cc1	ZINC000013613155	555535054	/nfs/dbraw/zinc/53/50/54/555535054.db2.gz	VVTREPQNMZYQGU-UHFFFAOYSA-N	1	0	461.603	3.712	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1	ZINC000013668493	555557469	/nfs/dbraw/zinc/55/74/69/555557469.db2.gz	CTPRIDBXSNJUMT-HXUWFJFHSA-N	1	0	465.660	3.500	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000013670586	555561357	/nfs/dbraw/zinc/56/13/57/555561357.db2.gz	CFYGMEOBLHJWSM-UHFFFAOYSA-N	1	0	464.031	3.774	40	0		JHABRO
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+](C)C)cc1	ZINC000010111411	555622816	/nfs/dbraw/zinc/62/28/16/555622816.db2.gz	CIBQOKQFFFOMFQ-UHFFFAOYSA-N	1	0	481.618	3.772	40	0		JHABRO
COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000010277706	555671705	/nfs/dbraw/zinc/67/17/05/555671705.db2.gz	AOZSJRKTIGJBRU-UHFFFAOYSA-N	1	0	494.057	3.845	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cccc(Cl)c2C)cc1	ZINC000010450062	555716417	/nfs/dbraw/zinc/71/64/17/555716417.db2.gz	NELACECFYYPJCQ-UHFFFAOYSA-N	1	0	464.031	3.754	40	0		JHABRO
COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000010540499	555723972	/nfs/dbraw/zinc/72/39/72/555723972.db2.gz	WFSWZTBQAPGUFU-UHFFFAOYSA-N	1	0	487.666	3.746	40	0		JHABRO
C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000010540705	555724251	/nfs/dbraw/zinc/72/42/51/555724251.db2.gz	OYDZMEBLCWRBGR-NRFANRHFSA-N	1	0	473.639	3.872	40	0		JHABRO
COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1F	ZINC000022109338	555876256	/nfs/dbraw/zinc/87/62/56/555876256.db2.gz	TWMFYKSNJQSYOT-UHFFFAOYSA-N	1	0	451.955	3.862	40	0		JHABRO
Clc1ccccc1[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCC2)CC1	ZINC000022929718	555982283	/nfs/dbraw/zinc/98/22/83/555982283.db2.gz	CNIPKNYEZBYVPD-DEOSSOPVSA-N	1	0	481.000	3.753	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000023696224	556083920	/nfs/dbraw/zinc/08/39/20/556083920.db2.gz	INJPNRJTKIHRHU-OAQYLSRUSA-N	1	0	476.042	3.653	40	0		JHABRO
Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)CC1	ZINC000026780664	556262065	/nfs/dbraw/zinc/26/20/65/556262065.db2.gz	ZPVOTLIISHRONN-FQEVSTJZSA-N	1	0	483.834	3.989	40	0		JHABRO
COc1ccccc1[C@@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[NH+]1CCCCC1	ZINC000059782647	569607705	/nfs/dbraw/zinc/60/77/05/569607705.db2.gz	JPLXCIWZSUYHRD-SGKWCMOWSA-N	1	0	481.637	3.704	40	0		JHABRO
CC(C)n1cnc([C@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCC[N@H+](C)CC4)cc32)n1	ZINC000096156374	569736797	/nfs/dbraw/zinc/73/67/97/569736797.db2.gz	YDXRHQRLZZVTQE-DEOSSOPVSA-N	1	0	458.610	3.789	40	0		JHABRO
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000036369557	569773093	/nfs/dbraw/zinc/77/30/93/569773093.db2.gz	OENXBRAOGMLWJQ-BPMXNDJWSA-N	1	0	450.623	3.602	40	0		JHABRO
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000039767520	569811720	/nfs/dbraw/zinc/81/17/20/569811720.db2.gz	PYXMINLPKSHJKF-UHFFFAOYSA-N	1	0	459.587	3.851	40	0		JHABRO
O=C1[C@H]2[C@@H](Cc3ccccc3)[NH2+][C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102754955	569821240	/nfs/dbraw/zinc/82/12/40/569821240.db2.gz	JGAFSLQGKQERLF-MBDNFAEBSA-N	1	0	462.347	3.906	40	0		JHABRO
COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C12CCCC2	ZINC000170613710	569872898	/nfs/dbraw/zinc/87/28/98/569872898.db2.gz	ODHLAEZTVHTILR-OYDLWJJNSA-N	1	0	453.627	3.566	40	0		JHABRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1CCC[NH+]1CCOCC1	ZINC000222914454	569894284	/nfs/dbraw/zinc/89/42/84/569894284.db2.gz	MDVGECCXIQOJBS-RPWUZVMVSA-N	1	0	455.672	3.851	40	0		JHABRO
COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)c1	ZINC000223292842	569906472	/nfs/dbraw/zinc/90/64/72/569906472.db2.gz	ICMVLGZNGOSSKI-FGZHOGPDSA-N	1	0	450.564	3.662	40	0		JHABRO
CN(c1ccc(Cl)c(C(=O)NCCC[NH+]2CCCCC2)c1)S(=O)(=O)c1ccccc1	ZINC000224335277	569940992	/nfs/dbraw/zinc/94/09/92/569940992.db2.gz	WCRAANTUWUTHHG-UHFFFAOYSA-N	1	0	450.004	3.771	40	0		JHABRO
CC(C)c1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224653382	569952311	/nfs/dbraw/zinc/95/23/11/569952311.db2.gz	LKHFKZPIRJIYPL-UHFFFAOYSA-N	1	0	457.640	3.878	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(Cl)c1	ZINC000224660662	569952539	/nfs/dbraw/zinc/95/25/39/569952539.db2.gz	KNOCKYCZHOULCG-UHFFFAOYSA-N	1	0	467.994	3.547	40	0		JHABRO
Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1C	ZINC000224661166	569952605	/nfs/dbraw/zinc/95/26/05/569952605.db2.gz	BSVMMHHRECAKSA-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1Cl	ZINC000224667130	569952881	/nfs/dbraw/zinc/95/28/81/569952881.db2.gz	MGFIALYKGURFHE-SFHVURJKSA-N	1	0	494.057	3.805	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000224687273	569953547	/nfs/dbraw/zinc/95/35/47/569953547.db2.gz	SSPQCCQEHPMSRF-HSZRJFAPSA-N	1	0	476.042	3.795	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000224845161	569960031	/nfs/dbraw/zinc/96/00/31/569960031.db2.gz	RCAAHHBFMIAKSW-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CCOc1ccccc1N(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224846856	569960184	/nfs/dbraw/zinc/96/01/84/569960184.db2.gz	IMCGLHGMROJYPL-UHFFFAOYSA-N	1	0	487.666	3.934	40	0		JHABRO
CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)CC1	ZINC000225745681	570019409	/nfs/dbraw/zinc/01/94/09/570019409.db2.gz	OEQFKLDYTOTINW-UHFFFAOYSA-N	1	0	459.637	3.512	40	0		JHABRO
C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cn1	ZINC000225920957	570027658	/nfs/dbraw/zinc/02/76/58/570027658.db2.gz	OZLCKLWZPSSYSZ-UHFFFAOYSA-N	1	0	453.461	3.731	40	0		JHABRO
C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000257200988	570108055	/nfs/dbraw/zinc/10/80/55/570108055.db2.gz	AFQZOKAHWFJTEY-LJQANCHMSA-N	1	0	473.499	3.824	40	0		JHABRO
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3ccc[nH]3)C2)ccc1Cl	ZINC000257203284	570108806	/nfs/dbraw/zinc/10/88/06/570108806.db2.gz	APJBXUKBUMVXNN-RUZDIDTESA-N	1	0	459.034	3.802	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1	ZINC000409052678	570110471	/nfs/dbraw/zinc/11/04/71/570110471.db2.gz	HRXCOOOFRPFZNI-CLJLJLNGSA-O	1	0	471.581	3.558	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409052861	570110524	/nfs/dbraw/zinc/11/05/24/570110524.db2.gz	ITWZSYBRMAUPAO-WAUWHALJSA-O	1	0	493.381	3.782	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409053472	570110747	/nfs/dbraw/zinc/11/07/47/570110747.db2.gz	KDXCMGMKMHSNHS-FTJBHMTQSA-O	1	0	489.571	3.697	40	0		JHABRO
Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409057378	570112425	/nfs/dbraw/zinc/11/24/25/570112425.db2.gz	PAHAOCQEVQOAHC-DCFWFYTKSA-O	1	0	463.355	3.774	40	0		JHABRO
CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCCn2nc(C)cc2C)cc1	ZINC000257220709	570114320	/nfs/dbraw/zinc/11/43/20/570114320.db2.gz	DLUPAZFXYJJFQT-QHCPKHFHSA-N	1	0	453.583	3.849	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409061533	570114547	/nfs/dbraw/zinc/11/45/47/570114547.db2.gz	FDEHQPVYUAUMBL-JFQOFFPWSA-O	1	0	466.920	3.894	40	0		JHABRO
Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)C3CC[NH+](C4CCN(C)CC4)CC3)n2)nc1	ZINC000257227580	570116277	/nfs/dbraw/zinc/11/62/77/570116277.db2.gz	FPZGMHOWOJIQBN-RUZDIDTESA-N	1	0	490.652	3.507	40	0		JHABRO
C[C@]1(O)CN(C(=O)c2cccc(OCC[NH+]3CCCC3)c2)CC[C@@H]1Oc1cccc(Cl)c1	ZINC000257242442	570120925	/nfs/dbraw/zinc/12/09/25/570120925.db2.gz	ICMFQWXAGTYGKD-ZCYQVOJMSA-N	1	0	458.986	3.859	40	0		JHABRO
COc1cc(C[N@H+](CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCO	ZINC000257248332	570122732	/nfs/dbraw/zinc/12/27/32/570122732.db2.gz	JDEHVVDARHFVHT-NRFANRHFSA-N	1	0	496.629	3.524	40	0		JHABRO
O=C(c1cccc(OCCN2CCOCC2)c1)N1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000257265572	570128036	/nfs/dbraw/zinc/12/80/36/570128036.db2.gz	LZFVTXRIKLYQHI-AHKZPQOWSA-N	1	0	463.622	3.524	40	0		JHABRO
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCc1cn(C)c2ccccc12	ZINC000257275684	570131323	/nfs/dbraw/zinc/13/13/23/570131323.db2.gz	NQLSEOOJLHYZFQ-MHZLTWQESA-N	1	0	457.578	3.544	40	0		JHABRO
CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1	ZINC000257281576	570133094	/nfs/dbraw/zinc/13/30/94/570133094.db2.gz	OPXWJAJWKRJISG-GOSISDBHSA-N	1	0	451.489	3.963	40	0		JHABRO
CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(=O)N4CC(=O)Nc5ccccc54)C[C@@H]3C[C@H]21	ZINC000257281888	570133322	/nfs/dbraw/zinc/13/33/22/570133322.db2.gz	ORIZNRYUJPKNBC-PNPBPJFESA-N	1	0	461.562	3.611	40	0		JHABRO
CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000257293332	570136533	/nfs/dbraw/zinc/13/65/33/570136533.db2.gz	QPAZHVDSZCYWOK-SANMLTNESA-N	1	0	470.013	3.806	40	0		JHABRO
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)n1	ZINC000257295464	570137059	/nfs/dbraw/zinc/13/70/59/570137059.db2.gz	QYKGDAGMOCAXBS-QFIPXVFZSA-N	1	0	472.593	3.744	40	0		JHABRO
Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)n1	ZINC000257295463	570137087	/nfs/dbraw/zinc/13/70/87/570137087.db2.gz	QYKGDAGMOCAXBS-JOCHJYFZSA-N	1	0	472.593	3.744	40	0		JHABRO
CN(C)c1cc([C@@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)ccn1	ZINC000257301168	570138787	/nfs/dbraw/zinc/13/87/87/570138787.db2.gz	RXGUPORXGXUQNV-JOCHJYFZSA-N	1	0	466.601	3.864	40	0		JHABRO
C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)O3)CC1	ZINC000257304195	570139608	/nfs/dbraw/zinc/13/96/08/570139608.db2.gz	SKLUBUKGORRSPP-MHZLTWQESA-N	1	0	465.569	3.704	40	0		JHABRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4cc(C(C)(C)C)ccc4OC(C)(C)[C@H]3C[C@@H]21	ZINC000257305406	570139989	/nfs/dbraw/zinc/13/99/89/570139989.db2.gz	SPWHLOYMRKCLRB-PROWYBKVSA-N	1	0	485.669	3.690	40	0		JHABRO
Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)C3(Cc4ccc(F)cc4)CC[NH+](C)CC3)C2)n1	ZINC000257316020	570143309	/nfs/dbraw/zinc/14/33/09/570143309.db2.gz	VDUCKSNKFLASGG-AREMUKBSSA-N	1	0	467.633	3.825	40	0		JHABRO
COc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)CC2)cc1	ZINC000257316105	570143363	/nfs/dbraw/zinc/14/33/63/570143363.db2.gz	VEDIUCVRZSMXLT-QHCPKHFHSA-N	1	0	466.582	3.627	40	0		JHABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)O3)CC1	ZINC000257323136	570145558	/nfs/dbraw/zinc/14/55/58/570145558.db2.gz	WIXCJFSDECVNMJ-HHHXNRCGSA-N	1	0	465.569	3.704	40	0		JHABRO
Cn1c(CNC(=O)C[N@@H+]2CCC[C@]3(CN(c4ccc(Cl)cc4)C(=O)O3)CC2)nc2ccccc21	ZINC000257342287	570150997	/nfs/dbraw/zinc/15/09/97/570150997.db2.gz	ZNZGCTCDEAKVGN-RUZDIDTESA-N	1	0	481.984	3.724	40	0		JHABRO
Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000260899668	570162690	/nfs/dbraw/zinc/16/26/90/570162690.db2.gz	PJFDFYUYIFCKGB-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl	ZINC000260899956	570162693	/nfs/dbraw/zinc/16/26/93/570162693.db2.gz	RBPCXWFCNXHUDN-GOSISDBHSA-N	1	0	494.057	3.805	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)n1	ZINC000328963751	570179562	/nfs/dbraw/zinc/17/95/62/570179562.db2.gz	BQGHCEUEFAXOIU-UHFFFAOYSA-N	1	0	481.320	3.881	40	0		JHABRO
C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1Cl	ZINC000001335829	194094744	/nfs/dbraw/zinc/09/47/44/194094744.db2.gz	NUDZTRXRMRAUSJ-UHFFFAOYSA-N	1	0	456.930	3.548	40	0		JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)NC1CCCCC1	ZINC000001342316	194098574	/nfs/dbraw/zinc/09/85/74/194098574.db2.gz	HICRBMGFLAUUBC-FQEVSTJZSA-N	1	0	454.571	3.585	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1	ZINC000008674186	194474923	/nfs/dbraw/zinc/47/49/23/194474923.db2.gz	NCJXXYNWBWUQRU-UHFFFAOYSA-N	1	0	456.587	3.898	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(F)cc1	ZINC000012710754	195094827	/nfs/dbraw/zinc/09/48/27/195094827.db2.gz	RRGHLMJFWVMBBS-UHFFFAOYSA-N	1	0	454.502	3.772	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC	ZINC000012710760	195094843	/nfs/dbraw/zinc/09/48/43/195094843.db2.gz	UYCQBNQFABQJAO-UHFFFAOYSA-N	1	0	466.538	3.641	40	0		JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC	ZINC000012711093	195095291	/nfs/dbraw/zinc/09/52/91/195095291.db2.gz	ZBCHQFLQFGUTDY-IBGZPJMESA-N	1	0	478.549	3.784	40	0		JHABRO
O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(c2ccnc3nc(C(F)(F)F)nn32)CC1	ZINC000057730296	195358762	/nfs/dbraw/zinc/35/87/62/195358762.db2.gz	YQLFZWRUBVOCBE-UHFFFAOYSA-N	1	0	462.476	3.742	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccccc1	ZINC000006193010	520595875	/nfs/dbraw/zinc/59/58/75/520595875.db2.gz	XEEDHMIUZQRUSB-UHFFFAOYSA-N	1	0	480.634	3.865	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1OC	ZINC000006078370	520646854	/nfs/dbraw/zinc/64/68/54/520646854.db2.gz	FATHTZOINFASDL-UHFFFAOYSA-N	1	0	482.606	3.806	40	0		JHABRO
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCCCCC3)c2)CC1	ZINC000013648722	521029348	/nfs/dbraw/zinc/02/93/48/521029348.db2.gz	FBUQUWZQSNPXCS-UHFFFAOYSA-N	1	0	456.052	3.757	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000013672570	521512955	/nfs/dbraw/zinc/51/29/55/521512955.db2.gz	NBAYVFYSWAYFHQ-UHFFFAOYSA-N	1	0	487.666	3.971	40	0		JHABRO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1Cl	ZINC000016214915	522455800	/nfs/dbraw/zinc/45/58/00/522455800.db2.gz	ZECUOIIEANFPNW-UHFFFAOYSA-N	1	0	460.983	3.907	40	0		JHABRO
CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc(F)cc2)no1)c1ccccc1	ZINC000012482649	523172140	/nfs/dbraw/zinc/17/21/40/523172140.db2.gz	WMAYMOIXMKLMFY-SFTDATJTSA-N	1	0	450.558	3.925	40	0	biogenic,in-vitro	JHABRO
COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccc(F)cc3)on2)cc1OC	ZINC000012481902	524053985	/nfs/dbraw/zinc/05/39/85/524053985.db2.gz	HTOMTVAYSJYKFE-PMACEKPBSA-N	1	0	467.541	3.973	40	0	biogenic,in-vitro	JHABRO
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1	ZINC000013670109	526704124	/nfs/dbraw/zinc/70/41/24/526704124.db2.gz	MIYNZORPGGLNGO-UHFFFAOYSA-N	1	0	469.529	3.503	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O	ZINC000006078259	554503238	/nfs/dbraw/zinc/50/32/38/554503238.db2.gz	XENZLCRSBSDIOD-UHFFFAOYSA-N	1	0	451.640	3.840	40	0		JHABRO
COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)cc2c1	ZINC000006283085	554525866	/nfs/dbraw/zinc/52/58/66/554525866.db2.gz	FZVMQDPOPGFAKI-SFHVURJKSA-N	1	0	452.624	3.926	40	0		JHABRO
COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006320799	554530582	/nfs/dbraw/zinc/53/05/82/554530582.db2.gz	DQWSCCOXCPVDGK-UHFFFAOYSA-N	1	0	466.651	3.982	40	0		JHABRO
COc1ccc(CCNC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC	ZINC000006410182	554535355	/nfs/dbraw/zinc/53/53/55/554535355.db2.gz	PIHXGVMWFCRNJE-UHFFFAOYSA-N	1	0	496.677	3.643	40	0		JHABRO
Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)c(Br)c1	ZINC000009013942	554865227	/nfs/dbraw/zinc/86/52/27/554865227.db2.gz	JYFFTTFOFVNVQH-GFTAFNIFSA-N	1	0	494.389	3.806	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O	ZINC000013498773	555424673	/nfs/dbraw/zinc/42/46/73/555424673.db2.gz	VBKBLJPPBPUEKD-DEOSSOPVSA-N	1	0	494.571	3.708	40	0		JHABRO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1	ZINC000013571220	555509634	/nfs/dbraw/zinc/50/96/34/555509634.db2.gz	AYRFKQUXGIWEFY-UHFFFAOYSA-N	1	0	458.537	3.911	40	0		JHABRO
COc1ccc(Cn2c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3[nH]c2=O)cc1	ZINC000013571222	555509655	/nfs/dbraw/zinc/50/96/55/555509655.db2.gz	DWGXEYQUYFUVSG-UHFFFAOYSA-N	1	0	470.573	3.781	40	0		JHABRO
COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1	ZINC000013646126	555550488	/nfs/dbraw/zinc/55/04/88/555550488.db2.gz	SKZXKFZZUFXSBN-UHFFFAOYSA-N	1	0	480.030	3.536	40	0		JHABRO
CSc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(C)cc2)cc1	ZINC000010278202	555671658	/nfs/dbraw/zinc/67/16/58/555671658.db2.gz	MSQZBIIIMGWVCO-UHFFFAOYSA-N	1	0	475.680	3.904	40	0		JHABRO
COc1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1	ZINC000022108409	555875237	/nfs/dbraw/zinc/87/52/37/555875237.db2.gz	BEGYHYMLVWORMA-AFMDSPMNSA-N	1	0	459.550	3.770	40	0		JHABRO
COc1ccc(CC[NH2+]Cc2ccc(OCc3nnnn3-c3ccc(C)cc3)c(OC)c2)cc1	ZINC000022108253	555875307	/nfs/dbraw/zinc/87/53/07/555875307.db2.gz	GJOLSJCIKUHAKH-UHFFFAOYSA-N	1	0	459.550	3.899	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929343	555981670	/nfs/dbraw/zinc/98/16/70/555981670.db2.gz	YSAOUXXOCDNWNV-DEOSSOPVSA-N	1	0	450.562	3.519	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000024389905	556130522	/nfs/dbraw/zinc/13/05/22/556130522.db2.gz	CIYCQZNGVGLMOX-UHFFFAOYSA-N	1	0	455.624	3.777	40	0		JHABRO
Cc1cc(Cl)ccc1C[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2C)CC1	ZINC000027530953	556291371	/nfs/dbraw/zinc/29/13/71/556291371.db2.gz	HOMAWCZWSDXOJZ-GOTSBHOMSA-N	1	0	467.437	3.571	40	0		JHABRO
C[NH+](CCN1C(=O)c2cccc3cccc(c32)C1=O)CCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000031961670	556412055	/nfs/dbraw/zinc/41/20/55/556412055.db2.gz	DGPSKXZEOCBESC-UHFFFAOYSA-N	1	0	477.520	3.817	40	0		JHABRO
O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000101343309	569793631	/nfs/dbraw/zinc/79/36/31/569793631.db2.gz	NVXIQRPWPCLIEH-XCBFCAQUSA-N	1	0	457.917	3.924	40	0		JHABRO
Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000044874167	569839655	/nfs/dbraw/zinc/83/96/55/569839655.db2.gz	YLXYLIFYAUOCBV-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
O=C(NCCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	ZINC000216274778	569878032	/nfs/dbraw/zinc/87/80/32/569878032.db2.gz	WLBPNDUXUGXZKA-UHFFFAOYSA-N	1	0	490.497	3.918	40	0		JHABRO
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218121168	569882891	/nfs/dbraw/zinc/88/28/91/569882891.db2.gz	CQYWBLJYLUSQRQ-JQVVWYNYSA-N	1	0	466.987	3.511	40	0		JHABRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1CCC[NH+]1CCOCC1	ZINC000222914516	569894247	/nfs/dbraw/zinc/89/42/47/569894247.db2.gz	MDVGECCXIQOJBS-BJKOFHAPSA-N	1	0	455.672	3.851	40	0		JHABRO
CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224528413	569947290	/nfs/dbraw/zinc/94/72/90/569947290.db2.gz	OXUHBVPBPJOQTD-FQEVSTJZSA-N	1	0	457.640	3.706	40	0		JHABRO
CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1)S(C)(=O)=O	ZINC000224533894	569947521	/nfs/dbraw/zinc/94/75/21/569947521.db2.gz	HIRPVJUGHGPEPG-UHFFFAOYSA-N	1	0	450.004	3.652	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Br)c1	ZINC000224653658	569952293	/nfs/dbraw/zinc/95/22/93/569952293.db2.gz	SWUHZLHUWVIYAR-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1S(=O)(=O)N1CCCC1	ZINC000224666231	569952817	/nfs/dbraw/zinc/95/28/17/569952817.db2.gz	LGLNFWXXVVKKQM-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000224673899	569953180	/nfs/dbraw/zinc/95/31/80/569953180.db2.gz	GJZCFPXTYDKJRL-UHFFFAOYSA-N	1	0	497.705	3.963	40	0		JHABRO
CC(C)Oc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224678600	569953325	/nfs/dbraw/zinc/95/33/25/569953325.db2.gz	WQACDEDJOQZURE-UHFFFAOYSA-N	1	0	473.639	3.542	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000224795283	569957976	/nfs/dbraw/zinc/95/79/76/569957976.db2.gz	WZAAGYPUKFNPMJ-QHCPKHFHSA-N	1	0	457.640	3.760	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)c(F)c1	ZINC000224847411	569960260	/nfs/dbraw/zinc/96/02/60/569960260.db2.gz	PBRJKNKXBIXZKE-UHFFFAOYSA-N	1	0	479.593	3.813	40	0		JHABRO
CN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(Cl)c1)S(C)(=O)=O	ZINC000224848571	569960297	/nfs/dbraw/zinc/96/02/97/569960297.db2.gz	KMQIXTJJRNNKBE-UHFFFAOYSA-N	1	0	450.004	3.652	40	0		JHABRO
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000224851792	569960343	/nfs/dbraw/zinc/96/03/43/569960343.db2.gz	BRNNMZRHFIHVGS-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1cc2ncn(CCC(=O)N3CCCC[C@H]3C3CC[NH+](CC(=O)N4CCCC4)CC3)c2cc1C	ZINC000257210018	570111079	/nfs/dbraw/zinc/11/10/79/570111079.db2.gz	BSUBPOLMHMCLNS-VWLOTQADSA-N	1	0	479.669	3.759	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409055997	570111745	/nfs/dbraw/zinc/11/17/45/570111745.db2.gz	QPTKFFZGTIQIOM-FTJBHMTQSA-O	1	0	455.582	3.857	40	0		JHABRO
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1Oc1ccc(F)cc1	ZINC000257212947	570111928	/nfs/dbraw/zinc/11/19/28/570111928.db2.gz	CFNXPQLRODNNIX-DHLKQENFSA-N	1	0	478.568	3.757	40	0		JHABRO
COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000409056623	570112104	/nfs/dbraw/zinc/11/21/04/570112104.db2.gz	NEZYHXIROKOUOY-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409058707	570113017	/nfs/dbraw/zinc/11/30/17/570113017.db2.gz	KLESCTVZRUBAAW-FTJBHMTQSA-O	1	0	455.582	3.857	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409061185	570114330	/nfs/dbraw/zinc/11/43/30/570114330.db2.gz	XUGNKZWDDWFHPD-SVBPBHIXSA-O	1	0	485.608	3.866	40	0		JHABRO
Cc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4c3)C2)cc1NCc1ccccn1	ZINC000257222545	570114812	/nfs/dbraw/zinc/11/48/12/570114812.db2.gz	DTSFCBBEEQWYAN-JOCHJYFZSA-N	1	0	455.562	3.981	40	0		JHABRO
C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)C1CCOCC1	ZINC000257230436	570117138	/nfs/dbraw/zinc/11/71/38/570117138.db2.gz	GCHNTMITWDHNRS-LWSSLDFYSA-N	1	0	492.538	3.629	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409069220	570117583	/nfs/dbraw/zinc/11/75/83/570117583.db2.gz	MAHCNVWIUKSDMY-RRPNLBNLSA-O	1	0	485.608	3.866	40	0		JHABRO
Cc1ccc(Oc2cccc([C@@H]3CN(C(=O)c4ccnc(N5CC[NH+](C)CC5)c4)CCO3)n2)cc1	ZINC000257252944	570123958	/nfs/dbraw/zinc/12/39/58/570123958.db2.gz	JWWBSHYUYPZHSV-DEOSSOPVSA-N	1	0	473.577	3.543	40	0		JHABRO
C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]21	ZINC000257261281	570126664	/nfs/dbraw/zinc/12/66/64/570126664.db2.gz	LGOAWWAVYSIENN-HJOGWXRNSA-N	1	0	453.602	3.907	40	0		JHABRO
COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)NCc2ccccc2Cl)cc1	ZINC000257268564	570129108	/nfs/dbraw/zinc/12/91/08/570129108.db2.gz	MMGBBDAWHNGFKN-HWBMXIPRSA-N	1	0	455.986	3.839	40	0		JHABRO
Cc1cncc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)CC2)c1	ZINC000257315675	570143231	/nfs/dbraw/zinc/14/32/31/570143231.db2.gz	VCJJTHWLXYMPAX-UHFFFAOYSA-N	1	0	485.028	3.509	40	0		JHABRO
COc1ccc(C2(C(=O)N3CC[N@H+](C)C[C@@H](Cc4cnc5ccccc5c4)C3)CCOCC2)cc1	ZINC000257337516	570149706	/nfs/dbraw/zinc/14/97/06/570149706.db2.gz	YTCJVXHTGQWXDM-HSZRJFAPSA-N	1	0	473.617	3.925	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccn2)n1	ZINC000329072214	570184022	/nfs/dbraw/zinc/18/40/22/570184022.db2.gz	ZWDBBORYBNDDEW-UHFFFAOYSA-N	1	0	481.320	3.881	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1OC	ZINC000001342169	194098588	/nfs/dbraw/zinc/09/85/88/194098588.db2.gz	KRMINSCHTDIFRT-HXUWFJFHSA-N	1	0	492.576	3.826	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000001374239	194108393	/nfs/dbraw/zinc/10/83/93/194108393.db2.gz	JEFATOXPUKIHFU-NRFANRHFSA-N	1	0	480.594	3.601	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1	ZINC000001375325	194109936	/nfs/dbraw/zinc/10/99/36/194109936.db2.gz	MJYPPQDMSFGRKG-QHCPKHFHSA-N	1	0	480.613	3.981	40	0		JHABRO
CN1CN(c2ccccc2)C2(CC[NH+](C[C@@](C)(c3ccc(F)cc3)C3OCCCO3)CC2)C1=O	ZINC000001640538	194130284	/nfs/dbraw/zinc/13/02/84/194130284.db2.gz	UTXOHXREBPXNEH-SANMLTNESA-N	1	0	467.585	3.617	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1	ZINC000012710591	195094771	/nfs/dbraw/zinc/09/47/71/195094771.db2.gz	RAZBRJAULFATGS-OAQYLSRUSA-N	1	0	468.598	3.628	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccc(C)cc1	ZINC000020674550	195199497	/nfs/dbraw/zinc/19/94/97/195199497.db2.gz	UBHTVSSEGBNXJY-NHCUHLMSSA-N	1	0	488.510	3.542	40	0		JHABRO
CC(C)c1ccc(NC(=[NH2+])NC2=N[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2)cc1	ZINC000020799169	195226326	/nfs/dbraw/zinc/22/63/26/195226326.db2.gz	SZGFMRNQLHFGHR-KRWDZBQOSA-N	1	0	460.460	3.648	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1	ZINC000013501170	520921052	/nfs/dbraw/zinc/92/10/52/520921052.db2.gz	BLSUNYWKTQEQFA-JOCHJYFZSA-N	1	0	466.586	3.672	40	0		JHABRO
CCOc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1	ZINC000006089930	521123458	/nfs/dbraw/zinc/12/34/58/521123458.db2.gz	CJBFKXCZLCFINN-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000044875090	521850825	/nfs/dbraw/zinc/85/08/25/521850825.db2.gz	SZNYADXXZWGBTK-QHCPKHFHSA-N	1	0	461.603	3.673	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2cccc(C)c2)cc1	ZINC000013669620	525502609	/nfs/dbraw/zinc/50/26/09/525502609.db2.gz	FJCTVNSAPHFSQL-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
O=C(COCc1cc(-c2cccs2)on1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000020437406	526939414	/nfs/dbraw/zinc/93/94/14/526939414.db2.gz	PGXJLDKYNNYEDC-UHFFFAOYSA-N	1	0	475.014	3.902	40	0		JHABRO
CCOc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	ZINC000006089907	554504094	/nfs/dbraw/zinc/50/40/94/554504094.db2.gz	LUCPXQCKIQLYJU-UHFFFAOYSA-N	1	0	496.633	3.849	40	0		JHABRO
CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccc(Cl)cc5)c43)C2)CC1	ZINC000008300437	554565842	/nfs/dbraw/zinc/56/58/42/554565842.db2.gz	GIOYFNSJNNNOBL-ZWKOTPCHSA-N	1	0	484.000	3.576	40	0	biogenic,in-vitro	JHABRO
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000008917923	554813607	/nfs/dbraw/zinc/81/36/07/554813607.db2.gz	MFEBZGVGGHPYMT-KLRIDBMASA-N	1	0	460.014	3.908	40	0		JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1	ZINC000013500148	555436863	/nfs/dbraw/zinc/43/68/63/555436863.db2.gz	RNNXGVBBFUFUQR-QFIPXVFZSA-N	1	0	466.586	3.672	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1	ZINC000013500638	555442204	/nfs/dbraw/zinc/44/22/04/555442204.db2.gz	VGRAZILGWRWAMS-HSZRJFAPSA-N	1	0	466.586	3.528	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1	ZINC000013500673	555442605	/nfs/dbraw/zinc/44/26/05/555442605.db2.gz	SLFGHWIBSTZOOS-DEOSSOPVSA-N	1	0	496.612	3.618	40	0		JHABRO
CS(=O)(=O)N(Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)c1cccc(Cl)c1	ZINC000013669540	555559620	/nfs/dbraw/zinc/55/96/20/555559620.db2.gz	MBUWIGFCWWEXRX-UHFFFAOYSA-N	1	0	464.031	3.912	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000013670672	555561323	/nfs/dbraw/zinc/56/13/23/555561323.db2.gz	PDSUSYFYICZBDT-UHFFFAOYSA-N	1	0	494.057	3.926	40	0		JHABRO
CCc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)cc1	ZINC000010111200	555622431	/nfs/dbraw/zinc/62/24/31/555622431.db2.gz	FDCATGULEUHAQI-UHFFFAOYSA-N	1	0	457.640	3.827	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000010281049	555672234	/nfs/dbraw/zinc/67/22/34/555672234.db2.gz	KRAKAJULNGYSFP-UHFFFAOYSA-N	1	0	473.614	3.529	40	0		JHABRO
O=C(COc1ccc(I)cc1)NCc1ccccc1C[NH+]1CCCCC1	ZINC000010280865	555672262	/nfs/dbraw/zinc/67/22/62/555672262.db2.gz	RMQAILAGVHYSKG-UHFFFAOYSA-N	1	0	464.347	3.972	40	0		JHABRO
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1	ZINC000010450046	555716480	/nfs/dbraw/zinc/71/64/80/555716480.db2.gz	CVDAEHCEGFLNEC-UHFFFAOYSA-N	1	0	470.422	3.791	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(Br)cc2)cc1	ZINC000010450054	555716492	/nfs/dbraw/zinc/71/64/92/555716492.db2.gz	DNTKOQYUEWENFW-UHFFFAOYSA-N	1	0	494.455	3.555	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1	ZINC000010540898	555724258	/nfs/dbraw/zinc/72/42/58/555724258.db2.gz	NQSGCCWYYHNJIM-UHFFFAOYSA-N	1	0	456.052	3.757	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000010540653	555724323	/nfs/dbraw/zinc/72/43/23/555724323.db2.gz	HOKJTUDCPUENQZ-UHFFFAOYSA-N	1	0	461.603	3.568	40	0		JHABRO
[NH2+]=C(Nc1ccc2c(c1)OCCO2)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1	ZINC000020503587	555791688	/nfs/dbraw/zinc/79/16/88/555791688.db2.gz	XNWRDVCSXBKFLG-UHFFFAOYSA-N	1	0	466.548	3.902	40	0		JHABRO
COc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1	ZINC000022108421	555875275	/nfs/dbraw/zinc/87/52/75/555875275.db2.gz	BEGYHYMLVWORMA-SIBVEZHUSA-N	1	0	459.550	3.770	40	0		JHABRO
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000022924935	555976923	/nfs/dbraw/zinc/97/69/23/555976923.db2.gz	YLYGKJMBWJYKND-XMMPIXPASA-N	1	0	477.657	3.872	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	ZINC000026109862	556242284	/nfs/dbraw/zinc/24/22/84/556242284.db2.gz	QSVNVKOSMVILKS-QGZVFWFLSA-N	1	0	476.470	3.527	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1	ZINC000030853528	556379058	/nfs/dbraw/zinc/37/90/58/556379058.db2.gz	OGEBJKUQAWZLCW-UHFFFAOYSA-N	1	0	490.497	3.773	40	0		JHABRO
CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1	ZINC000033936991	569638139	/nfs/dbraw/zinc/63/81/39/569638139.db2.gz	NEUXMWIDNOCFFC-VWNXMTODSA-N	1	0	480.613	3.988	40	0		JHABRO
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)C1	ZINC000068704991	569691523	/nfs/dbraw/zinc/69/15/23/569691523.db2.gz	ROFWOFOMNSAXHJ-SKPFHBQLSA-N	1	0	489.616	3.870	40	0		JHABRO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035844155	569714909	/nfs/dbraw/zinc/71/49/09/569714909.db2.gz	DXTOYFRFQKMZLK-PLOUGOBLSA-N	1	0	453.901	3.527	40	0		JHABRO
O=C1[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1	ZINC000100178194	569754846	/nfs/dbraw/zinc/75/48/46/569754846.db2.gz	JXYUNDORNGMXEL-JALVRWGXSA-N	1	0	477.564	3.708	40	0		JHABRO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000101344301	569793777	/nfs/dbraw/zinc/79/37/77/569793777.db2.gz	DXTOYFRFQKMZLK-FVJVTNMWSA-N	1	0	453.901	3.527	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000038772276	569807613	/nfs/dbraw/zinc/80/76/13/569807613.db2.gz	UFSDAPBTJAIHPL-UHFFFAOYSA-N	1	0	471.623	3.964	40	0		JHABRO
COc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	ZINC000044874510	569839716	/nfs/dbraw/zinc/83/97/16/569839716.db2.gz	JGIIHENKIQJNAA-GOSISDBHSA-N	1	0	494.057	3.805	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218121103	569882829	/nfs/dbraw/zinc/88/28/29/569882829.db2.gz	CQYWBLJYLUSQRQ-KNKQGSTJSA-N	1	0	466.987	3.511	40	0		JHABRO
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C	ZINC000222959344	569895449	/nfs/dbraw/zinc/89/54/49/569895449.db2.gz	PLSNJXUPBVRUFD-DNQXCXABSA-N	1	0	455.672	3.995	40	0		JHABRO
COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1	ZINC000223250810	569904900	/nfs/dbraw/zinc/90/49/00/569904900.db2.gz	XWZWUIVNAJJAKP-XZOQPEGZSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1C	ZINC000224512499	569946802	/nfs/dbraw/zinc/94/68/02/569946802.db2.gz	QCVZDEZFEKJANV-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
CCc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224512587	569946825	/nfs/dbraw/zinc/94/68/25/569946825.db2.gz	RYWDMMLHKLGINI-UHFFFAOYSA-N	1	0	457.640	3.707	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000224537720	569947636	/nfs/dbraw/zinc/94/76/36/569947636.db2.gz	ZZBPVLJYWBBWFC-UHFFFAOYSA-N	1	0	499.677	3.715	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000224622074	569951184	/nfs/dbraw/zinc/95/11/84/569951184.db2.gz	IBZJPUQPTQNLAQ-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	ZINC000224635188	569951744	/nfs/dbraw/zinc/95/17/44/569951744.db2.gz	KKDUDFXQCRZTCK-HSZRJFAPSA-N	1	0	490.069	3.794	40	0		JHABRO
CCCOc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224678742	569953322	/nfs/dbraw/zinc/95/33/22/569953322.db2.gz	XUEOJMCTTWHAEA-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)CC2)c1	ZINC000224679771	569953399	/nfs/dbraw/zinc/95/33/99/569953399.db2.gz	RIFPSHURHYYAMB-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000224795326	569957936	/nfs/dbraw/zinc/95/79/36/569957936.db2.gz	WZAAGYPUKFNPMJ-HSZRJFAPSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCC1	ZINC000224824605	569959325	/nfs/dbraw/zinc/95/93/25/569959325.db2.gz	XETPUPKYHFGKOM-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000224841682	569959903	/nfs/dbraw/zinc/95/99/03/569959903.db2.gz	DRQRIALOLFCZRA-HSZRJFAPSA-N	1	0	476.042	3.795	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccccc1F)S(C)(=O)=O	ZINC000224844977	569960059	/nfs/dbraw/zinc/96/00/59/569960059.db2.gz	CJRPNXNBWMSIGP-JOCHJYFZSA-N	1	0	461.603	3.673	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(C)c1)S(C)(=O)=O	ZINC000224844594	569960070	/nfs/dbraw/zinc/96/00/70/569960070.db2.gz	UKFUCXSINLJVHQ-DEOSSOPVSA-N	1	0	457.640	3.842	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000225904933	570026745	/nfs/dbraw/zinc/02/67/45/570026745.db2.gz	NQKRQUNZJHSLEF-GOSISDBHSA-N	1	0	450.004	3.749	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409053477	570110787	/nfs/dbraw/zinc/11/07/87/570110787.db2.gz	KDXCMGMKMHSNHS-UIOOFZCWSA-O	1	0	489.571	3.697	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409057747	570112553	/nfs/dbraw/zinc/11/25/53/570112553.db2.gz	MCRGNSOEFSRBLA-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
NC(=O)COc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1	ZINC000257215072	570112617	/nfs/dbraw/zinc/11/26/17/570112617.db2.gz	COOKFDKTASRDHL-BDYUSTAISA-N	1	0	494.563	3.673	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409058704	570113041	/nfs/dbraw/zinc/11/30/41/570113041.db2.gz	KLESCTVZRUBAAW-CLJLJLNGSA-O	1	0	455.582	3.857	40	0		JHABRO
CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409059619	570113522	/nfs/dbraw/zinc/11/35/22/570113522.db2.gz	REBLCIGUYHXKBV-DHIUTWEWSA-O	1	0	465.936	3.561	40	0		JHABRO
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccccc3)CC[C@H]2NC(=O)OC(C)(C)C)cc1	ZINC000257219028	570113856	/nfs/dbraw/zinc/11/38/56/570113856.db2.gz	DFIKOEWRUBXTMN-LWSSLDFYSA-N	1	0	456.583	3.991	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409061643	570114537	/nfs/dbraw/zinc/11/45/37/570114537.db2.gz	YXILEZUITDJLDZ-IZZNHLLZSA-O	1	0	473.572	3.996	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1	ZINC000409062502	570115074	/nfs/dbraw/zinc/11/50/74/570115074.db2.gz	VUIWTWGVSWUPFC-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409075738	570119955	/nfs/dbraw/zinc/11/99/55/570119955.db2.gz	ZYTNATRQFKBFAV-MAANWLFQSA-O	1	0	478.956	3.682	40	0		JHABRO
CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CC[NH+](Cc1ccc(C(C)(C)C)cc1OCC(N)=O)CC2	ZINC000257254578	570124515	/nfs/dbraw/zinc/12/45/15/570124515.db2.gz	KDSXNNNOCWCIGW-DEOSSOPVSA-N	1	0	477.649	3.904	40	0		JHABRO
CN1C(=O)C2(C[C@H]1Cc1ccccc1)CC[NH+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)CC2	ZINC000257255867	570124894	/nfs/dbraw/zinc/12/48/94/570124894.db2.gz	KJFFFULDVVTLGB-XMMPIXPASA-N	1	0	477.649	3.904	40	0		JHABRO
COc1ccccc1[C@@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CC[NH+](C)CC2)CCN1C(C)=O	ZINC000257294567	570136819	/nfs/dbraw/zinc/13/68/19/570136819.db2.gz	QUSHAHZXGWZWPU-DEOSSOPVSA-N	1	0	467.585	3.521	40	0		JHABRO
COc1ccccc1-c1ccc(CC2(C(=O)NC(C)(C)CN3CC[NH+](C)CC3)CCOCC2)cc1	ZINC000257295573	570137038	/nfs/dbraw/zinc/13/70/38/570137038.db2.gz	QYYLOKMXBQWCNR-UHFFFAOYSA-N	1	0	479.665	3.844	40	0		JHABRO
Cc1nn(C)cc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257302689	570139125	/nfs/dbraw/zinc/13/91/25/570139125.db2.gz	SDWOUSDPCKFOAN-VWLOTQADSA-N	1	0	475.033	3.600	40	0		JHABRO
COCC[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21	ZINC000257315716	570143158	/nfs/dbraw/zinc/14/31/58/570143158.db2.gz	VCMZNOPKEVBBBU-DEOSSOPVSA-N	1	0	492.616	3.692	40	0		JHABRO
Cc1cc(C(=O)N2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257323546	570145564	/nfs/dbraw/zinc/14/55/64/570145564.db2.gz	WKUODTUMKKKOFI-DEOSSOPVSA-N	1	0	465.642	3.684	40	0		JHABRO
CCCn1c2ccc(NC(=O)C[N@@H+]3[C@H](Cc4ccccc4)C[C@H]4NC(=O)CCCC[C@@H]43)cc2oc1=O	ZINC000257325966	570146231	/nfs/dbraw/zinc/14/62/31/570146231.db2.gz	WVFFSNSRYJDPFG-ZLNRFVROSA-N	1	0	490.604	3.687	40	0		JHABRO
COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)n1	ZINC000257330497	570147658	/nfs/dbraw/zinc/14/76/58/570147658.db2.gz	XORGSNGUKZRMGN-JOCHJYFZSA-N	1	0	471.605	3.924	40	0		JHABRO
CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)CC1	ZINC000257334283	570148828	/nfs/dbraw/zinc/14/88/28/570148828.db2.gz	YFGNIMQSPLCDKR-MUUNZHRXSA-N	1	0	495.620	3.766	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000260801549	570158545	/nfs/dbraw/zinc/15/85/45/570158545.db2.gz	BUIXEBVCBNVJMB-QUCCMNQESA-N	1	0	456.052	3.512	40	0		JHABRO
OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC[NH+](CC2CCCCC2)CC1	ZINC000225476864	291517313	/nfs/dbraw/zinc/51/73/13/291517313.db2.gz	QVFWWBCFNAOWCP-UHFFFAOYSA-N	1	0	455.672	3.724	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O	ZINC000001375466	194110100	/nfs/dbraw/zinc/11/01/00/194110100.db2.gz	GMXKHTCEUDFRHF-NRFANRHFSA-N	1	0	494.621	3.910	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCNC(C)=O)C[C@@H](c3ccc(C)cc3)N21	ZINC000012602920	195048141	/nfs/dbraw/zinc/04/81/41/195048141.db2.gz	KFIDKOIJKFVSEG-JTMVAAEOSA-N	1	0	474.605	3.547	40	0	biogenic,in-vitro	JHABRO
COc1ccc(NC(=O)N(CC[NH+]2CCCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1	ZINC000012707860	195093621	/nfs/dbraw/zinc/09/36/21/195093621.db2.gz	BAHPREQVSDVFHZ-UHFFFAOYSA-N	1	0	450.539	3.675	40	0		JHABRO
CO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1	ZINC000059201373	195395077	/nfs/dbraw/zinc/39/50/77/195395077.db2.gz	MTMDXAIUENDNDL-DXKRWKNPSA-N	1	0	469.548	3.574	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)Nc1ccccc1C(=O)OC	ZINC000006078339	520646522	/nfs/dbraw/zinc/64/65/22/520646522.db2.gz	FEBKRAWRXVBERH-UHFFFAOYSA-N	1	0	496.633	3.864	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1	ZINC000013500654	520921138	/nfs/dbraw/zinc/92/11/38/520921138.db2.gz	VDELKYMHKHREIO-XMMPIXPASA-N	1	0	480.613	3.918	40	0		JHABRO
COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(c4ccc(F)cc4)CC3)no2)cc1	ZINC000008623766	523109156	/nfs/dbraw/zinc/10/91/56/523109156.db2.gz	NRXQFLQJVMIGAL-VXKWHMMOSA-N	1	0	492.595	3.996	40	0	biogenic,in-vitro	JHABRO
CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)no1)Cc1ccccc1	ZINC000012482101	523170498	/nfs/dbraw/zinc/17/04/98/523170498.db2.gz	UWHLPRFHSAYEJC-GOTSBHOMSA-N	1	0	490.604	3.510	40	0	biogenic,in-vitro	JHABRO
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000044857247	526703557	/nfs/dbraw/zinc/70/35/57/526703557.db2.gz	PNBVLIQAEVCFFH-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
O=C(NCCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	ZINC000044845776	527665603	/nfs/dbraw/zinc/66/56/03/527665603.db2.gz	IZHROSQWYXYDAG-UHFFFAOYSA-N	1	0	490.497	3.918	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1	ZINC000006193150	554517050	/nfs/dbraw/zinc/51/70/50/554517050.db2.gz	RLADQNSRPZCYNA-UHFFFAOYSA-N	1	0	458.628	3.608	40	0		JHABRO
COc1ccc(CCNC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC	ZINC000006300342	554529403	/nfs/dbraw/zinc/52/94/03/554529403.db2.gz	VIJIMBWEOOJXNX-UHFFFAOYSA-N	1	0	496.677	3.643	40	0		JHABRO
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006300454	554529457	/nfs/dbraw/zinc/52/94/57/554529457.db2.gz	AAKMBYUUKJGTRB-UHFFFAOYSA-N	1	0	480.634	3.702	40	0		JHABRO
COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1	ZINC000013498982	555426939	/nfs/dbraw/zinc/42/69/39/555426939.db2.gz	LFSUICFPTBKUIZ-HSZRJFAPSA-N	1	0	452.603	3.920	40	0		JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1	ZINC000013500074	555436527	/nfs/dbraw/zinc/43/65/27/555436527.db2.gz	HYDOSRUCGOKOCW-QFIPXVFZSA-N	1	0	480.613	3.981	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1	ZINC000013501171	555448071	/nfs/dbraw/zinc/44/80/71/555448071.db2.gz	BLSUNYWKTQEQFA-QFIPXVFZSA-N	1	0	466.586	3.672	40	0		JHABRO
C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000010111266	555622422	/nfs/dbraw/zinc/62/24/22/555622422.db2.gz	SKHQEQUYVFMFBE-HNNXBMFYSA-N	1	0	450.432	3.530	40	0		JHABRO
O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000010111271	555622438	/nfs/dbraw/zinc/62/24/38/555622438.db2.gz	DZUDFYGWBMEUDA-UHFFFAOYSA-N	1	0	456.052	3.901	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccccc2)cc1	ZINC000010111194	555622455	/nfs/dbraw/zinc/62/24/55/555622455.db2.gz	JMSIXTLFLZYDRI-UHFFFAOYSA-N	1	0	473.639	3.663	40	0		JHABRO
COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000015360783	555900866	/nfs/dbraw/zinc/90/08/66/555900866.db2.gz	AFZJCJFJFWRMTP-UHFFFAOYSA-N	1	0	453.402	3.922	40	0		JHABRO
COc1ccc(CCn2nnnc2[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022930001	555983081	/nfs/dbraw/zinc/98/30/81/555983081.db2.gz	FDIZARDLPZJYKK-AREMUKBSSA-N	1	0	494.615	3.722	40	0		JHABRO
COc1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022929989	555983103	/nfs/dbraw/zinc/98/31/03/555983103.db2.gz	SMFUVQRSYHPECJ-SANMLTNESA-N	1	0	476.625	3.583	40	0		JHABRO
C[C@@H]1CC(=O)c2cnc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2C1	ZINC000022933479	555985909	/nfs/dbraw/zinc/98/59/09/555985909.db2.gz	IXGIWOPNQMQECZ-FQEVSTJZSA-N	1	0	469.589	3.587	40	0		JHABRO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(Cl)cc2Cl)CC1	ZINC000023411638	556052470	/nfs/dbraw/zinc/05/24/70/556052470.db2.gz	SLRCHPZXKJIDIJ-UHFFFAOYSA-N	1	0	466.365	3.939	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000023696227	556083892	/nfs/dbraw/zinc/08/38/92/556083892.db2.gz	INJPNRJTKIHRHU-NRFANRHFSA-N	1	0	476.042	3.653	40	0		JHABRO
CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000013064281	556261912	/nfs/dbraw/zinc/26/19/12/556261912.db2.gz	ZHRRVVJEFKEKGQ-LADGPHEKSA-N	1	0	480.613	3.988	40	0		JHABRO
Cc1cc(Cl)ccc1C[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2C)CC1	ZINC000027530952	556291402	/nfs/dbraw/zinc/29/14/02/556291402.db2.gz	HOMAWCZWSDXOJZ-PKTZIBPZSA-N	1	0	467.437	3.571	40	0		JHABRO
CN(C)c1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)COc3ccccc3)n(C)n2)cc1	ZINC000008635342	560107137	/nfs/dbraw/zinc/10/71/37/560107137.db2.gz	SFMGXSUNKPNXIJ-PWWKTKHKSA-N	1	0	473.621	3.526	40	0	biogenic,in-vitro	JHABRO
CN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@]1(c4ccc5c(c4NC1=O)OC=CC(C)(C)O5)C(C)(C)[C@H]2C3	ZINC000053006601	563204879	/nfs/dbraw/zinc/20/48/79/563204879.db2.gz	KYKUTNUWXQVSSU-WIWHYGFKSA-N	1	0	477.605	3.825	40	0	biogenic,in-vitro	JHABRO
O=C(NCc1ccc(F)cc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1	ZINC000008299326	565094447	/nfs/dbraw/zinc/09/44/47/565094447.db2.gz	DZQMFZHHOQETFT-KWOQKUFVSA-N	1	0	465.598	3.736	40	0	biogenic,in-vitro	JHABRO
COc1cc2c(cc1OC)C[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@@H](C)C2	ZINC000036369524	569773107	/nfs/dbraw/zinc/77/31/07/569773107.db2.gz	HEAXKDZPAXOEMH-MVQOBTDNSA-N	1	0	455.595	3.735	40	0		JHABRO
COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCC(=O)c1ccccc1	ZINC000036612935	569777960	/nfs/dbraw/zinc/77/79/60/569777960.db2.gz	DMOLMYHVBOLZAL-UHFFFAOYSA-N	1	0	477.399	3.531	40	0		JHABRO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1	ZINC000101702923	569803090	/nfs/dbraw/zinc/80/30/90/569803090.db2.gz	AHCYPWYDRXIJKT-ZRZAMGCNSA-N	1	0	458.606	3.984	40	0		JHABRO
CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1	ZINC000216391021	569878594	/nfs/dbraw/zinc/87/85/94/569878594.db2.gz	HOIOOBYGUAEMRP-UHFFFAOYSA-N	1	0	461.603	3.848	40	0		JHABRO
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218120917	569882860	/nfs/dbraw/zinc/88/28/60/569882860.db2.gz	CQYWBLJYLUSQRQ-DXIQSLLYSA-N	1	0	466.987	3.511	40	0		JHABRO
C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCOCC3)cn2)CC1	ZINC000224018309	569930680	/nfs/dbraw/zinc/93/06/80/569930680.db2.gz	FIPOUUPFTMGZJI-UHFFFAOYSA-N	1	0	460.047	3.522	40	0		JHABRO
CN(c1ccc(C(=O)NCCC[NH+]2CCCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1	ZINC000224234200	569937479	/nfs/dbraw/zinc/93/74/79/569937479.db2.gz	LKWGRPMQVJURHK-UHFFFAOYSA-N	1	0	450.004	3.771	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCC3)c(Cl)c2)cc1	ZINC000224242706	569937820	/nfs/dbraw/zinc/93/78/20/569937820.db2.gz	DRYYRDYJUCFQPU-UHFFFAOYSA-N	1	0	450.004	3.689	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000224511311	569946766	/nfs/dbraw/zinc/94/67/66/569946766.db2.gz	AQPQVJKNYZSUGU-NRFANRHFSA-N	1	0	494.057	3.805	40	0		JHABRO
Cc1cc(C)c(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c(C)c1	ZINC000224678665	569953341	/nfs/dbraw/zinc/95/33/41/569953341.db2.gz	ZLWZKURSBGXZOV-UHFFFAOYSA-N	1	0	457.640	3.680	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1Cl	ZINC000224771549	569956951	/nfs/dbraw/zinc/95/69/51/569956951.db2.gz	AFCCOVNHMUCWOQ-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000224795390	569957981	/nfs/dbraw/zinc/95/79/81/569957981.db2.gz	SXIPXWJIOCJPOB-DEOSSOPVSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1	ZINC000224834692	569959704	/nfs/dbraw/zinc/95/97/04/569959704.db2.gz	PDMKNKHZIBMYNC-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242548036	570053871	/nfs/dbraw/zinc/05/38/71/570053871.db2.gz	KZUVDLYIOIXBSS-XQBPLPMBSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242750525	570054069	/nfs/dbraw/zinc/05/40/69/570054069.db2.gz	ZQMRKJPOIJTHCF-JQVVWYNYSA-N	1	0	450.988	3.810	40	0		JHABRO
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@H]4C3)cc2c1	ZINC000253499309	570100887	/nfs/dbraw/zinc/10/08/87/570100887.db2.gz	XNXAZYSOQWRUJH-XUZZJYLKSA-N	1	0	461.614	3.864	40	0		JHABRO
CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)n1	ZINC000257200294	570107932	/nfs/dbraw/zinc/10/79/32/570107932.db2.gz	ACTYDVRORPIUIC-RUZDIDTESA-N	1	0	453.606	3.801	40	0		JHABRO
CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)Cc3cccs3)C2)CC1	ZINC000257203354	570108846	/nfs/dbraw/zinc/10/88/46/570108846.db2.gz	APQATYVFOYGYFM-RUZDIDTESA-N	1	0	490.069	3.796	40	0		JHABRO
COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000409056612	570111988	/nfs/dbraw/zinc/11/19/88/570111988.db2.gz	NEZYHXIROKOUOY-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
CN1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3Cl)CC[C@@H]2Oc2ccc(F)cc2)CC1	ZINC000257213972	570112257	/nfs/dbraw/zinc/11/22/57/570112257.db2.gz	CJWYMVLOJQTYAW-MBSDFSHPSA-N	1	0	473.976	3.553	40	0		JHABRO
COCC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1	ZINC000257216644	570113195	/nfs/dbraw/zinc/11/31/95/570113195.db2.gz	CVMRTXWHVSMORJ-JOCHJYFZSA-N	1	0	454.586	3.917	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409060119	570113764	/nfs/dbraw/zinc/11/37/64/570113764.db2.gz	SXJXHDKBFKZOLL-FTJBHMTQSA-O	1	0	471.581	3.558	40	0		JHABRO
CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCCn2nc(C)cc2C)cc1	ZINC000257220708	570114304	/nfs/dbraw/zinc/11/43/04/570114304.db2.gz	DLUPAZFXYJJFQT-HSZRJFAPSA-N	1	0	453.583	3.849	40	0		JHABRO
Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000409062127	570114816	/nfs/dbraw/zinc/11/48/16/570114816.db2.gz	OEVWNXDRBUSJIG-BJKOFHAPSA-O	1	0	461.973	3.731	40	0		JHABRO
Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409062569	570115087	/nfs/dbraw/zinc/11/50/87/570115087.db2.gz	WVPVNQULFKRTCP-WXUIRWOTSA-O	1	0	463.355	3.774	40	0		JHABRO
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@@H]1c1ccnc2c(C(=O)NC3CCCC3)cnn21	ZINC000257230562	570117231	/nfs/dbraw/zinc/11/72/31/570117231.db2.gz	GCWJPTPKKNXUEM-JOCHJYFZSA-N	1	0	466.630	3.721	40	0		JHABRO
C[C@]12CC[N@H+](CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1	ZINC000257243057	570121064	/nfs/dbraw/zinc/12/10/64/570121064.db2.gz	IFHKFANVFTXMRW-CUBQBAPOSA-N	1	0	491.611	3.797	40	0		JHABRO
C[NH+]1CCC(Cc2ccccc2F)(C(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)O3)CC1	ZINC000257250769	570123360	/nfs/dbraw/zinc/12/33/60/570123360.db2.gz	JNXJWKSZFZIAPL-MHZLTWQESA-N	1	0	465.569	3.704	40	0		JHABRO
CO[C@H]1CN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCN2C(=O)OCc1ccccc1	ZINC000257281957	570133336	/nfs/dbraw/zinc/13/33/36/570133336.db2.gz	ORRRNCUJXLDWRE-OFVILXPXSA-N	1	0	498.580	3.876	40	0		JHABRO
COCC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccc(OC)c4)c3)CCOCC2)C1	ZINC000257300266	570138544	/nfs/dbraw/zinc/13/85/44/570138544.db2.gz	RTRDRCQMSHDZQW-QHCPKHFHSA-N	1	0	466.622	3.786	40	0		JHABRO
CCCc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)CC2)c1	ZINC000257309148	570141018	/nfs/dbraw/zinc/14/10/18/570141018.db2.gz	TZTPZDUEKJDVPD-NSOVKSMOSA-N	1	0	479.665	3.708	40	0		JHABRO
CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cn(C)c3cc(OC)ccc23)CCO1	ZINC000257319466	570144174	/nfs/dbraw/zinc/14/41/74/570144174.db2.gz	VSRGRSZURGQVFF-FQEVSTJZSA-N	1	0	450.564	3.730	40	0		JHABRO
Cc1sc(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)nc1-c1ccccc1	ZINC000257331070	570147851	/nfs/dbraw/zinc/14/78/51/570147851.db2.gz	XRGPPFDQEKXEJX-UHFFFAOYSA-N	1	0	490.695	3.973	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccncc2)n1	ZINC000328956509	570179244	/nfs/dbraw/zinc/17/92/44/570179244.db2.gz	AGQGQYJDPDTBIB-UHFFFAOYSA-N	1	0	452.868	3.652	40	0		JHABRO
Cc1cc(Br)cc(C)c1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1	ZINC000328985286	570180663	/nfs/dbraw/zinc/18/06/63/570180663.db2.gz	HSAZHFCHRGVGAP-UHFFFAOYSA-N	1	0	455.404	3.869	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccn2)n1	ZINC000329018895	570181933	/nfs/dbraw/zinc/18/19/33/570181933.db2.gz	NTKFGQAOUQQLQB-UHFFFAOYSA-N	1	0	481.320	3.881	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)N1CCN(c2ccc(F)cc2)CC1	ZINC000015673626	291516138	/nfs/dbraw/zinc/51/61/38/291516138.db2.gz	VTJNVSYNWNHRMM-VXKWHMMOSA-N	1	0	492.595	3.900	40	0	biogenic,in-vitro	JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(OC)cc1	ZINC000001352719	194099782	/nfs/dbraw/zinc/09/97/82/194099782.db2.gz	GGZBUZKFFZEGAW-HXUWFJFHSA-N	1	0	478.549	3.784	40	0		JHABRO
O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1	ZINC000003841484	194363446	/nfs/dbraw/zinc/36/34/46/194363446.db2.gz	MFMSTLWHBPWLJH-RBUKOAKNSA-N	1	0	459.587	3.788	40	0	biogenic,in-vitro	JHABRO
COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCC2	ZINC000096343865	130074063	/nfs/dbraw/zinc/07/40/63/130074063.db2.gz	ODHLAEZTVHTILR-HUVFLSCGSA-N	1	0	453.627	3.566	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NC[C@H]1CCCO1	ZINC000006162583	520594516	/nfs/dbraw/zinc/59/45/16/520594516.db2.gz	ASMXUTOPDZNZNN-OAQYLSRUSA-N	1	0	458.672	3.732	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCc1ccco1	ZINC000006192995	520596914	/nfs/dbraw/zinc/59/69/14/520596914.db2.gz	BNNCNPJQTWIFTE-UHFFFAOYSA-N	1	0	484.622	3.501	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)cc2c1	ZINC000006196621	521283804	/nfs/dbraw/zinc/28/38/04/521283804.db2.gz	UBHQWZLGKZGRAF-GOSISDBHSA-N	1	0	452.624	3.926	40	0		JHABRO
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(C)c4C)[N@H+]2CCC[C@@H]32)c(Br)c1	ZINC000020462527	524925863	/nfs/dbraw/zinc/92/58/63/524925863.db2.gz	JYFFTTFOFVNVQH-AJGMTHFWSA-N	1	0	494.389	3.806	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCCC1)c1cc(Cl)ccc1Cl	ZINC000013647147	525154603	/nfs/dbraw/zinc/15/46/03/525154603.db2.gz	CDLZFGPIKNKLTM-UHFFFAOYSA-N	1	0	464.459	3.922	40	0		JHABRO
C[C@H](NC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1	ZINC000006283086	525276531	/nfs/dbraw/zinc/27/65/31/525276531.db2.gz	NGTCDICMAXWHKF-SFHVURJKSA-N	1	0	480.634	3.689	40	0		JHABRO
COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1Cl	ZINC000016228278	526017679	/nfs/dbraw/zinc/01/76/79/526017679.db2.gz	ICTJYVKBXBECDS-UHFFFAOYSA-N	1	0	460.983	3.907	40	0		JHABRO
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1	ZINC000044873212	526051149	/nfs/dbraw/zinc/05/11/49/526051149.db2.gz	OIJGJDWVRSVAFC-UHFFFAOYSA-N	1	0	487.691	3.721	40	0		JHABRO
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000044857246	526704541	/nfs/dbraw/zinc/70/45/41/526704541.db2.gz	RYVSAIDXMNUTJV-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000044871615	526705152	/nfs/dbraw/zinc/70/51/52/526705152.db2.gz	XYVKUWVGAGTTPU-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccccc2)CC1	ZINC000012481879	527125464	/nfs/dbraw/zinc/12/54/64/527125464.db2.gz	AGEVUOOEZSBCFI-VXKWHMMOSA-N	1	0	462.569	3.988	40	0	biogenic,in-vitro	JHABRO
O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000040373157	527656948	/nfs/dbraw/zinc/65/69/48/527656948.db2.gz	DPIGHOUPVPNKNR-AREMUKBSSA-N	1	0	474.601	3.743	40	0		JHABRO
CCc1ccccc1NC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000006135455	554507274	/nfs/dbraw/zinc/50/72/74/554507274.db2.gz	OMBNHLHJCRSNKK-UHFFFAOYSA-N	1	0	466.607	3.970	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCc1ccccc1	ZINC000006193379	554517377	/nfs/dbraw/zinc/51/73/77/554517377.db2.gz	VRVFXJQXOXVXSM-UHFFFAOYSA-N	1	0	494.661	3.560	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC1CCCCC1	ZINC000006193392	554517721	/nfs/dbraw/zinc/51/77/21/554517721.db2.gz	RTBXYJKHCXFXLL-UHFFFAOYSA-N	1	0	458.628	3.608	40	0		JHABRO
CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccc6ccccc6c5)c43)C2)CC1	ZINC000008300419	554565889	/nfs/dbraw/zinc/56/58/89/554565889.db2.gz	YYDMMNYQABLJDZ-GBXCKJPGSA-N	1	0	484.600	3.684	40	0	biogenic,in-vitro	JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1	ZINC000013499502	555432303	/nfs/dbraw/zinc/43/23/03/555432303.db2.gz	UJCAXTIUWYBLHL-QHCPKHFHSA-N	1	0	480.613	3.981	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(C)cc1	ZINC000013511718	555483557	/nfs/dbraw/zinc/48/35/57/555483557.db2.gz	WSIHMLWVHDDKMD-UHFFFAOYSA-N	1	0	450.539	3.941	40	0		JHABRO
Cc1ccccc1CN(c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)S(C)(=O)=O	ZINC000013647782	555552024	/nfs/dbraw/zinc/55/20/24/555552024.db2.gz	YROIBCKVWHHLMX-UHFFFAOYSA-N	1	0	457.640	3.957	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(Cl)cc2)cc1	ZINC000010111193	555622247	/nfs/dbraw/zinc/62/22/47/555622247.db2.gz	FLJDONGYFATWED-UHFFFAOYSA-N	1	0	494.057	3.926	40	0		JHABRO
CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000020080223	555629151	/nfs/dbraw/zinc/62/91/51/555629151.db2.gz	SLAISXYDMPKPKA-DEOSSOPVSA-N	1	0	493.656	3.708	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2)cc1	ZINC000010540671	555724305	/nfs/dbraw/zinc/72/43/05/555724305.db2.gz	FGSZKKDHTCMGDH-UHFFFAOYSA-N	1	0	473.639	3.519	40	0		JHABRO
O=C(c1ccc(F)cc1)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)CC1	ZINC000015080647	555872274	/nfs/dbraw/zinc/87/22/74/555872274.db2.gz	HWUBTXFEGSIJDM-VWLOTQADSA-N	1	0	477.580	3.718	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OCCC(C)C)cc1	ZINC000019817779	556384043	/nfs/dbraw/zinc/38/40/43/556384043.db2.gz	YDWHIEPHOJDWTJ-DNQXCXABSA-N	1	0	463.578	3.876	40	0		JHABRO
CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(OC)c(OC)c2)c(-c2ccno2)c1	ZINC000031561755	556399462	/nfs/dbraw/zinc/39/94/62/556399462.db2.gz	CGUIWXDBHIFQJV-HXUWFJFHSA-N	1	0	483.565	3.669	40	0	in-man	JHABRO
C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1	ZINC000059488276	569605492	/nfs/dbraw/zinc/60/54/92/569605492.db2.gz	HKECJIDXESRMNC-QGZVFWFLSA-N	1	0	458.400	3.655	40	0		JHABRO
Cc1cc(=O)c(C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1C(F)(F)F	ZINC000060015894	569608386	/nfs/dbraw/zinc/60/83/86/569608386.db2.gz	FSLPRWVLGXBJGR-JYJNAYRXSA-N	1	0	450.505	3.656	40	0		JHABRO
CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000033937010	569638462	/nfs/dbraw/zinc/63/84/62/569638462.db2.gz	ZHRRVVJEFKEKGQ-ISKFKSNPSA-N	1	0	480.613	3.988	40	0		JHABRO
O=C(c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000096147742	569736483	/nfs/dbraw/zinc/73/64/83/569736483.db2.gz	SYKUYWAFZMEUSL-UHFFFAOYSA-N	1	0	465.561	3.775	40	0		JHABRO
Cc1nc(-c2nc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn32)cn1Cc1ccc(F)cc1F	ZINC000096155195	569736675	/nfs/dbraw/zinc/73/66/75/569736675.db2.gz	AIAKAMKDDGWXAG-UHFFFAOYSA-N	1	0	478.547	3.999	40	0		JHABRO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101343740	569793744	/nfs/dbraw/zinc/79/37/44/569793744.db2.gz	CORTVJDNQYEVRF-YTSMVRMISA-N	1	0	474.319	3.872	40	0		JHABRO
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218656282	569883487	/nfs/dbraw/zinc/88/34/87/569883487.db2.gz	KZUVDLYIOIXBSS-KNKQGSTJSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223340280	569907991	/nfs/dbraw/zinc/90/79/91/569907991.db2.gz	ZYNJHCRYWIKLHS-JWQCQUIFSA-N	1	0	479.650	3.988	40	0		JHABRO
Cc1c(Cl)cccc1N(CCCC(=O)NCCC[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O	ZINC000224431230	569944324	/nfs/dbraw/zinc/94/43/24/569944324.db2.gz	UUKOKJYOELEJEC-UHFFFAOYSA-N	1	0	478.058	3.759	40	0		JHABRO
CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224510517	569946757	/nfs/dbraw/zinc/94/67/57/569946757.db2.gz	UTHNGRWURCWHEL-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000224530010	569947407	/nfs/dbraw/zinc/94/74/07/569947407.db2.gz	UEMXPJBNERQZCO-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224613099	569950717	/nfs/dbraw/zinc/95/07/17/569950717.db2.gz	RMZKKVLAPLXUEN-UHFFFAOYSA-N	1	0	469.651	3.941	40	0		JHABRO
CCOc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000224633215	569951629	/nfs/dbraw/zinc/95/16/29/569951629.db2.gz	ZQCWDQIYNNPLGJ-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	ZINC000224635241	569951725	/nfs/dbraw/zinc/95/17/25/569951725.db2.gz	KKDUDFXQCRZTCK-QHCPKHFHSA-N	1	0	490.069	3.794	40	0		JHABRO
Cc1cc(Cl)ccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224654682	569952343	/nfs/dbraw/zinc/95/23/43/569952343.db2.gz	GPUBPJLBAAGFDA-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224665798	569952795	/nfs/dbraw/zinc/95/27/95/569952795.db2.gz	PBZSCAKDEILKPP-GOSISDBHSA-N	1	0	464.031	3.797	40	0		JHABRO
Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000224666994	569952898	/nfs/dbraw/zinc/95/28/98/569952898.db2.gz	PVTQARRKRRRJFE-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)ccc1Cl	ZINC000224769477	569956816	/nfs/dbraw/zinc/95/68/16/569956816.db2.gz	RHWYFNDNMAJRGD-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CC(C)(C)c1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1	ZINC000224776542	569957136	/nfs/dbraw/zinc/95/71/36/569957136.db2.gz	NEPNQJMPZNAQOX-UHFFFAOYSA-N	1	0	457.640	3.662	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000224777820	569957169	/nfs/dbraw/zinc/95/71/69/569957169.db2.gz	UQEITFCRVZETLE-UHFFFAOYSA-N	1	0	469.651	3.941	40	0		JHABRO
Cc1ccc(C)c(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1	ZINC000224779154	569957243	/nfs/dbraw/zinc/95/72/43/569957243.db2.gz	BXEDCEYNTIZOSJ-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224816001	569958927	/nfs/dbraw/zinc/95/89/27/569958927.db2.gz	QRVJHMXNBWCPGE-FQEVSTJZSA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000224825073	569959323	/nfs/dbraw/zinc/95/93/23/569959323.db2.gz	DGQQEMZNIQXRQF-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000224830061	569959453	/nfs/dbraw/zinc/95/94/53/569959453.db2.gz	VXMRTCOGNNXCPH-UHFFFAOYSA-N	1	0	497.705	3.963	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1	ZINC000224842090	569959952	/nfs/dbraw/zinc/95/99/52/569959952.db2.gz	UCOFPTRDHBZIAC-UHFFFAOYSA-N	1	0	455.624	3.528	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000224845049	569960035	/nfs/dbraw/zinc/96/00/35/569960035.db2.gz	STOOCCJBJBGMSF-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224845269	569960116	/nfs/dbraw/zinc/96/01/16/569960116.db2.gz	NSEMICATJBQFML-VWLOTQADSA-N	1	0	487.666	3.932	40	0		JHABRO
Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000225138113	569977358	/nfs/dbraw/zinc/97/73/58/569977358.db2.gz	PNIMEIIMGHYNLW-UHFFFAOYSA-N	1	0	457.640	3.875	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)C2)cc1	ZINC000225527081	570002679	/nfs/dbraw/zinc/00/26/79/570002679.db2.gz	CDUCNUFVVBBWGB-HXUWFJFHSA-N	1	0	471.623	3.507	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252515836	570082799	/nfs/dbraw/zinc/08/27/99/570082799.db2.gz	NYGLKNUWDMPYNP-WAOWUJCRSA-N	1	0	481.412	3.611	40	0		JHABRO
CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)cc2O1	ZINC000257198769	570107384	/nfs/dbraw/zinc/10/73/84/570107384.db2.gz	IBBOWHCQFLNGOV-GTLXUPCDSA-N	1	0	480.605	3.936	40	0		JHABRO
NC(=O)COc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1	ZINC000257206105	570109717	/nfs/dbraw/zinc/10/97/17/570109717.db2.gz	BBWHQTQAQMTBHQ-IGKIAQTJSA-N	1	0	494.563	3.673	40	0		JHABRO
CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409059621	570113549	/nfs/dbraw/zinc/11/35/49/570113549.db2.gz	REBLCIGUYHXKBV-PKTZIBPZSA-O	1	0	465.936	3.561	40	0		JHABRO
C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CCOC[C@H](Cc3cccc4n[nH]cc43)C2)CC1	ZINC000257221755	570114556	/nfs/dbraw/zinc/11/45/56/570114556.db2.gz	DQJXJHLEIGUDFU-OAQYLSRUSA-N	1	0	464.585	3.674	40	0		JHABRO
C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)O3)CC1	ZINC000257225604	570115903	/nfs/dbraw/zinc/11/59/03/570115903.db2.gz	FGZCEIHHLBOLEA-AREMUKBSSA-N	1	0	451.542	3.708	40	0		JHABRO
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)C[NH+](C)C)CC[C@@H]1Oc1cccc(Cl)c1	ZINC000257237434	570119278	/nfs/dbraw/zinc/11/92/78/570119278.db2.gz	HGLAOZHMEFLEBZ-REWPJTCUSA-N	1	0	458.002	3.546	40	0		JHABRO
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccc(F)cc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1	ZINC000257239478	570120107	/nfs/dbraw/zinc/12/01/07/570120107.db2.gz	HPKGAGKVYCBPTL-LGKPFJOYSA-N	1	0	478.536	3.879	40	0		JHABRO
Cc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000257263834	570127476	/nfs/dbraw/zinc/12/74/76/570127476.db2.gz	LRRYWSNQOJQZMC-UHFFFAOYSA-N	1	0	472.593	3.744	40	0		JHABRO
C[NH+](C)CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(C(=O)CCCc4cn[nH]c4)CC[C@H]3O[C@@H]21	ZINC000257263848	570127583	/nfs/dbraw/zinc/12/75/83/570127583.db2.gz	LRSSMRDXFFGZSN-DNRBGDKYSA-N	1	0	496.652	3.839	40	0		JHABRO
CC(C)n1nccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000257291822	570136064	/nfs/dbraw/zinc/13/60/64/570136064.db2.gz	QITRMHLQKXCWCX-HSZRJFAPSA-N	1	0	469.605	3.877	40	0		JHABRO
CC1CC[NH+](CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCCCC3)C2)CC1	ZINC000257305130	570139891	/nfs/dbraw/zinc/13/98/91/570139891.db2.gz	SONSNPMLBRQGDD-URXFXBBRSA-N	1	0	459.606	3.556	40	0		JHABRO
CC[NH+]1CCN(CCCNC(=O)C2(Cc3cccc(-c4cc(F)ccc4OC)c3)CCOCC2)CC1	ZINC000257312386	570142329	/nfs/dbraw/zinc/14/23/29/570142329.db2.gz	UNSJDMYLFYQTEQ-UHFFFAOYSA-N	1	0	497.655	3.984	40	0		JHABRO
CC1(C(=O)N2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)CC[NH+](CCc2ccccc2)CC1	ZINC000257329380	570147379	/nfs/dbraw/zinc/14/73/79/570147379.db2.gz	XJTHFJBVEBYRKB-DEOSSOPVSA-N	1	0	460.622	3.925	40	0		JHABRO
CC(=O)Nc1ccc2nc(NC(=O)CN3C[C@H](OCc4ccccc4)[C@]4(CCCO4)C3)sc2c1	ZINC000257338976	570150079	/nfs/dbraw/zinc/15/00/79/570150079.db2.gz	YZRQBCNSRCAGKD-DHLKQENFSA-N	1	0	480.590	3.643	40	0		JHABRO
O=C(c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCN(c2cc[nH+]cc2)CC1	ZINC000306129675	570178259	/nfs/dbraw/zinc/17/82/59/570178259.db2.gz	IJGCCFQPSDPSRL-XMMPIXPASA-N	1	0	480.572	3.669	40	0		JHABRO
C[NH+](C)CCCNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329013083	570181674	/nfs/dbraw/zinc/18/16/74/570181674.db2.gz	MNXFITFWPYBVNF-UHFFFAOYSA-N	1	0	459.516	3.904	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O	ZINC000001375467	194110263	/nfs/dbraw/zinc/11/02/63/194110263.db2.gz	GMXKHTCEUDFRHF-OAQYLSRUSA-N	1	0	494.621	3.910	40	0		JHABRO
Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)COc3ccccc3)c4=O)C2)c2ccccc21	ZINC000003842055	194363859	/nfs/dbraw/zinc/36/38/59/194363859.db2.gz	AIQTUSZIOWTFCJ-LEWJYISDSA-N	1	0	482.584	3.977	40	0	biogenic,in-vitro	JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(F)cc1	ZINC000012709979	195094484	/nfs/dbraw/zinc/09/44/84/195094484.db2.gz	YXRIYMOIOOSFCH-UHFFFAOYSA-N	1	0	468.529	3.814	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)NCCc1ccccc1	ZINC000006193311	520646065	/nfs/dbraw/zinc/64/60/65/520646065.db2.gz	UGTNGALGQHGXKU-UHFFFAOYSA-N	1	0	496.677	3.806	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccc(OC)cc1	ZINC000006078353	520646226	/nfs/dbraw/zinc/64/62/26/520646226.db2.gz	OXUDVBRQOPEPPG-UHFFFAOYSA-N	1	0	496.633	3.849	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(F)cc1	ZINC000006193412	520646256	/nfs/dbraw/zinc/64/62/56/520646256.db2.gz	XYSDQYLJPPYQEP-UHFFFAOYSA-N	1	0	470.570	3.937	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O	ZINC000020457914	523018994	/nfs/dbraw/zinc/01/89/94/523018994.db2.gz	IYXMYSVVELPTEW-IBGZPJMESA-N	1	0	459.587	3.772	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000044850211	523021056	/nfs/dbraw/zinc/02/10/56/523021056.db2.gz	FACFCTBJFJYRAS-QFIPXVFZSA-N	1	0	470.079	3.653	40	0		JHABRO
COc1ccccc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1	ZINC000022929350	524743144	/nfs/dbraw/zinc/74/31/44/524743144.db2.gz	UMYULNKZYOFERF-DEOSSOPVSA-N	1	0	450.562	3.519	40	0		JHABRO
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000030848008	525054816	/nfs/dbraw/zinc/05/48/16/525054816.db2.gz	SRBHGSRBFKPGFB-SFHVURJKSA-N	1	0	459.612	3.866	40	0		JHABRO
COc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000044857240	526133541	/nfs/dbraw/zinc/13/35/41/526133541.db2.gz	ALCZMOGKXWBCJG-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CCOCC1)C2	ZINC000049171814	526539000	/nfs/dbraw/zinc/53/90/00/526539000.db2.gz	VQHKIPCIKKRWKP-GOTSBHOMSA-N	1	0	450.583	3.755	40	0	biogenic,in-vitro	JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000044872721	526656280	/nfs/dbraw/zinc/65/62/80/526656280.db2.gz	AYKYFZROFZDYGG-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
COC(=O)c1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O	ZINC000000885330	553824513	/nfs/dbraw/zinc/82/45/13/553824513.db2.gz	FIIWJNUWMUMJSH-UHFFFAOYSA-N	1	0	466.607	3.692	40	0		JHABRO
COc1cc2ccnc([C@]3(O)CC[N@@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C3)c2cc1OC	ZINC000005373830	554489319	/nfs/dbraw/zinc/48/93/19/554489319.db2.gz	SZYNDAOHCHSDSO-FNZWTVRRSA-N	1	0	450.535	3.850	40	0		JHABRO
Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1C	ZINC000006320823	554530850	/nfs/dbraw/zinc/53/08/50/554530850.db2.gz	ZJESCBRZFHCHAR-UHFFFAOYSA-N	1	0	480.634	3.702	40	0		JHABRO
Cc1cccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1	ZINC000006442344	554536495	/nfs/dbraw/zinc/53/64/95/554536495.db2.gz	ZAFMCQMXEQAJMP-UHFFFAOYSA-N	1	0	452.580	3.716	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O	ZINC000013498771	555424696	/nfs/dbraw/zinc/42/46/96/555424696.db2.gz	COHRGPNKXVYXHP-DEOSSOPVSA-N	1	0	476.581	3.569	40	0		JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1	ZINC000013500073	555436044	/nfs/dbraw/zinc/43/60/44/555436044.db2.gz	HYDOSRUCGOKOCW-JOCHJYFZSA-N	1	0	480.613	3.981	40	0		JHABRO
CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C	ZINC000009831994	555534952	/nfs/dbraw/zinc/53/49/52/555534952.db2.gz	OHHSHJDSWCORSG-UHFFFAOYSA-N	1	0	478.636	3.887	40	0		JHABRO
[NH2+]=C(Nc1ccccc1C(F)(F)F)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1	ZINC000013634121	555543858	/nfs/dbraw/zinc/54/38/58/555543858.db2.gz	AOVWMEPXIWZOQB-UHFFFAOYSA-N	1	0	487.471	3.515	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1	ZINC000013668494	555557368	/nfs/dbraw/zinc/55/73/68/555557368.db2.gz	CTPRIDBXSNJUMT-FQEVSTJZSA-N	1	0	465.660	3.500	40	0		JHABRO
Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c12	ZINC000019941539	555560823	/nfs/dbraw/zinc/56/08/23/555560823.db2.gz	DIWJRPQUZFARRN-MHZLTWQESA-N	1	0	497.647	3.911	40	0		JHABRO
Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c12	ZINC000019941538	555560876	/nfs/dbraw/zinc/56/08/76/555560876.db2.gz	DIWJRPQUZFARRN-HHHXNRCGSA-N	1	0	497.647	3.911	40	0		JHABRO
CS(=O)(=O)N(Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1)c1cccc(Cl)c1	ZINC000013681587	555574550	/nfs/dbraw/zinc/57/45/50/555574550.db2.gz	UXWQMMLRNFMWPK-UHFFFAOYSA-N	1	0	450.004	3.522	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000009992038	555587464	/nfs/dbraw/zinc/58/74/64/555587464.db2.gz	BFQYFYRBTJYMCU-UHFFFAOYSA-N	1	0	462.015	3.650	40	0		JHABRO
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000010277214	555671421	/nfs/dbraw/zinc/67/14/21/555671421.db2.gz	BFAHRJUIBMOAKQ-UHFFFAOYSA-N	1	0	450.004	3.528	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCCCC1	ZINC000010278392	555671702	/nfs/dbraw/zinc/67/17/02/555671702.db2.gz	WPNOLGBUDKYKAR-UHFFFAOYSA-N	1	0	450.004	3.528	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000010540927	555724264	/nfs/dbraw/zinc/72/42/64/555724264.db2.gz	JMSJWUPIRIDAPY-UHFFFAOYSA-N	1	0	461.603	3.644	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000021595910	555854290	/nfs/dbraw/zinc/85/42/90/555854290.db2.gz	YNRUYUXEMZRTGC-UHFFFAOYSA-N	1	0	468.623	3.649	40	0		JHABRO
CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCC(=O)NC(C)(C)C	ZINC000022109013	555875869	/nfs/dbraw/zinc/87/58/69/555875869.db2.gz	GPCQELDTHPFLKQ-UHFFFAOYSA-N	1	0	498.653	3.627	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022928594	555979797	/nfs/dbraw/zinc/97/97/97/555979797.db2.gz	DYYBPHVXKXMBQT-DEOSSOPVSA-N	1	0	454.619	3.845	40	0		JHABRO
COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1	ZINC000022942529	555993001	/nfs/dbraw/zinc/99/30/01/555993001.db2.gz	LALGJTNAQSEQDW-UHFFFAOYSA-N	1	0	453.352	3.598	40	0		JHABRO
COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1ccccc1F	ZINC000022942554	555993160	/nfs/dbraw/zinc/99/31/60/555993160.db2.gz	RMABQRMWFWLACG-UHFFFAOYSA-N	1	0	453.352	3.598	40	0		JHABRO
Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)CC1	ZINC000026780662	556262055	/nfs/dbraw/zinc/26/20/55/556262055.db2.gz	ZPVOTLIISHRONN-HXUWFJFHSA-N	1	0	483.834	3.989	40	0		JHABRO
O=C(c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCN(Cc2ccccc2)CC1	ZINC000034684079	569645040	/nfs/dbraw/zinc/64/50/40/569645040.db2.gz	MKVMDESNZRLADX-UHFFFAOYSA-N	1	0	468.645	3.962	40	0		JHABRO
CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(Cl)cc21	ZINC000104150686	569842046	/nfs/dbraw/zinc/84/20/46/569842046.db2.gz	YQDIDOVHOJBEOF-HJJDGDTKSA-N	1	0	476.964	3.583	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(Oc2ccccc2)cc1	ZINC000216453882	569878911	/nfs/dbraw/zinc/87/89/11/569878911.db2.gz	ASBNDVPYTRADMU-UHFFFAOYSA-N	1	0	476.558	3.747	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218671843	569883503	/nfs/dbraw/zinc/88/35/03/569883503.db2.gz	CCVGTPKYBPVLDW-LQWHRVPQSA-N	1	0	454.951	3.641	40	0		JHABRO
COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)c1	ZINC000223292962	569906443	/nfs/dbraw/zinc/90/64/43/569906443.db2.gz	ICMVLGZNGOSSKI-FCHUYYIVSA-N	1	0	450.564	3.662	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000224522877	569947125	/nfs/dbraw/zinc/94/71/25/569947125.db2.gz	YTGSQUZWXHSAIL-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
Cc1ccc(C)c(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1	ZINC000224614643	569950839	/nfs/dbraw/zinc/95/08/39/569950839.db2.gz	CGRWJLIQZWINFV-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224619588	569951051	/nfs/dbraw/zinc/95/10/51/569951051.db2.gz	CYDRXSSNPGGUQG-QFIPXVFZSA-N	1	0	464.031	3.797	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc2ccccc21	ZINC000224655413	569952396	/nfs/dbraw/zinc/95/23/96/569952396.db2.gz	FBDHZFXRHFBEFU-UHFFFAOYSA-N	1	0	465.619	3.908	40	0		JHABRO
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)CC1	ZINC000224679699	569953393	/nfs/dbraw/zinc/95/33/93/569953393.db2.gz	VMNYVZZMDSUNMH-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224680896	569953450	/nfs/dbraw/zinc/95/34/50/569953450.db2.gz	KFLFPNAJBBWTHB-MHZLTWQESA-N	1	0	497.705	3.963	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(=O)N1CCCCCC1	ZINC000224775967	569957095	/nfs/dbraw/zinc/95/70/95/569957095.db2.gz	XEYACWCDVXHYPR-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1Cl	ZINC000224794507	569957916	/nfs/dbraw/zinc/95/79/16/569957916.db2.gz	ZSYJRYAEUUUFDI-SFHVURJKSA-N	1	0	464.031	3.715	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000224796448	569957987	/nfs/dbraw/zinc/95/79/87/569957987.db2.gz	VHDHZDFKXZEREA-QFIPXVFZSA-N	1	0	494.057	3.805	40	0		JHABRO
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224824154	569959249	/nfs/dbraw/zinc/95/92/49/569959249.db2.gz	CJVJAFPPNQSVSZ-SFHVURJKSA-N	1	0	464.031	3.797	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccccc1F)S(C)(=O)=O	ZINC000224844926	569960045	/nfs/dbraw/zinc/96/00/45/569960045.db2.gz	CJRPNXNBWMSIGP-QFIPXVFZSA-N	1	0	461.603	3.673	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000224845094	569960052	/nfs/dbraw/zinc/96/00/52/569960052.db2.gz	STOOCCJBJBGMSF-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
COc1c(Br)cc(Br)cc1C(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1	ZINC000226259590	570037339	/nfs/dbraw/zinc/03/73/39/570037339.db2.gz	RKBXBTQPELWUCP-UHFFFAOYSA-N	1	0	498.219	3.807	40	0		JHABRO
COc1ccc(NC(C)=O)cc1CNC(=O)C[N@H+]1C[C@@H]2[C@@H](Cc3ccc(F)cc3)CC[C@@H]2C1	ZINC000257202014	570108361	/nfs/dbraw/zinc/10/83/61/570108361.db2.gz	AKCYHPZZQVTVCK-YOSAUDMPSA-N	1	0	453.558	3.610	40	0		JHABRO
Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257205462	570109373	/nfs/dbraw/zinc/10/93/73/570109373.db2.gz	AZEAKYJGHFIHKW-AREMUKBSSA-N	1	0	489.060	3.909	40	0		JHABRO
Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257205463	570109439	/nfs/dbraw/zinc/10/94/39/570109439.db2.gz	AZEAKYJGHFIHKW-SANMLTNESA-N	1	0	489.060	3.909	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409052862	570110543	/nfs/dbraw/zinc/11/05/43/570110543.db2.gz	ITWZSYBRMAUPAO-WSBKAMHLSA-O	1	0	493.381	3.782	40	0		JHABRO
C[N@@H+]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@H](Cc2cccc3cccnc32)C1	ZINC000257209538	570110861	/nfs/dbraw/zinc/11/08/61/570110861.db2.gz	BQUJSNKOCWPDCY-JOCHJYFZSA-N	1	0	456.590	3.604	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1	ZINC000409058087	570112824	/nfs/dbraw/zinc/11/28/24/570112824.db2.gz	SIGNIVLEKVLOMU-LTGPUSHMSA-O	1	0	460.529	3.974	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409061184	570114348	/nfs/dbraw/zinc/11/43/48/570114348.db2.gz	XUGNKZWDDWFHPD-RRPNLBNLSA-O	1	0	485.608	3.866	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@H](Cc3cccc4cccnc43)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257220952	570114414	/nfs/dbraw/zinc/11/44/14/570114414.db2.gz	DMXUBNNPDRZYJZ-OAQYLSRUSA-N	1	0	473.621	3.648	40	0		JHABRO
CC[C@@H](C)C[N@@H+]1CCO[C@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1	ZINC000257225520	570115757	/nfs/dbraw/zinc/11/57/57/570115757.db2.gz	FGNZMCAEEZSCPC-IQGLISFBSA-N	1	0	467.050	3.826	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000409065277	570116091	/nfs/dbraw/zinc/11/60/91/570116091.db2.gz	FNXJLNJYLYPRPS-MAANWLFQSA-O	1	0	478.956	3.682	40	0		JHABRO
CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000257242351	570120770	/nfs/dbraw/zinc/12/07/70/570120770.db2.gz	ICBIJVZDGVFHGI-UHFFFAOYSA-N	1	0	470.013	3.806	40	0		JHABRO
COc1ccc(NC(C)=O)c(NC(=O)CN2CCN(C)[C@H](c3ccc(C(F)(F)F)cc3)C2)c1	ZINC000257255560	570124768	/nfs/dbraw/zinc/12/47/68/570124768.db2.gz	KHYQRKXTWDPGGC-NRFANRHFSA-N	1	0	464.488	3.600	40	0		JHABRO
Cc1nc(C(=O)N2CCOC[C@H](Cc3cccc4cnccc43)C2)cc(C2(C)CC[NH+](C)CC2)n1	ZINC000257260331	570126449	/nfs/dbraw/zinc/12/64/49/570126449.db2.gz	LCIUPIUSJKNAHP-OAQYLSRUSA-N	1	0	473.621	3.648	40	0		JHABRO
O=C(C1CC[NH+](CCc2ccccn2)CC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1	ZINC000257266796	570128596	/nfs/dbraw/zinc/12/85/96/570128596.db2.gz	MEOCNETXYLOXAA-HSZRJFAPSA-N	1	0	462.573	3.548	40	0		JHABRO
CCOCCOc1ccc(C[N@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1	ZINC000257281577	570133194	/nfs/dbraw/zinc/13/31/94/570133194.db2.gz	OPXWJAJWKRJISG-SFHVURJKSA-N	1	0	451.489	3.963	40	0		JHABRO
CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000257287214	570134789	/nfs/dbraw/zinc/13/47/89/570134789.db2.gz	POZOTNUULJETML-ZONZVBGPSA-N	1	0	461.606	3.638	40	0		JHABRO
C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)O3)CC1	ZINC000257304194	570139577	/nfs/dbraw/zinc/13/95/77/570139577.db2.gz	SKLUBUKGORRSPP-HHHXNRCGSA-N	1	0	465.569	3.704	40	0		JHABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCOC[C@H](Cc3cccc4n[nH]cc43)C2)CC1	ZINC000257304707	570139749	/nfs/dbraw/zinc/13/97/49/570139749.db2.gz	SMUMDWRPHBAABF-OAQYLSRUSA-N	1	0	464.585	3.674	40	0		JHABRO
Cc1noc(C)c1COc1ccc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1	ZINC000257307859	570140694	/nfs/dbraw/zinc/14/06/94/570140694.db2.gz	TUKKHBVWSNYICT-NDEPHWFRSA-N	1	0	476.621	3.629	40	0		JHABRO
CC(=O)Nc1ccc(NC(=O)CN2CC[C@H]3[C@@H]2CCCC(=O)N3Cc2ccccc2)c(Cl)c1	ZINC000257318155	570143913	/nfs/dbraw/zinc/14/39/13/570143913.db2.gz	VMSMLLWXSBFKQY-GOTSBHOMSA-N	1	0	468.985	3.893	40	0		JHABRO
CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CC[NH+](Cc1ccnc(N3CCCCC3)n1)CC2	ZINC000257337884	570149831	/nfs/dbraw/zinc/14/98/31/570149831.db2.gz	YUWQODHUWKOBFA-QHCPKHFHSA-N	1	0	451.590	3.662	40	0		JHABRO
CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000260890892	570161922	/nfs/dbraw/zinc/16/19/22/570161922.db2.gz	UTHNGRWURCWHEL-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328971295	570179956	/nfs/dbraw/zinc/17/99/56/570179956.db2.gz	DPZRHMZATMIFLI-UHFFFAOYSA-N	1	0	453.415	3.881	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)NC1CCCCC1	ZINC000001342318	194098726	/nfs/dbraw/zinc/09/87/26/194098726.db2.gz	HICRBMGFLAUUBC-HXUWFJFHSA-N	1	0	454.571	3.585	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1	ZINC000001375326	194109970	/nfs/dbraw/zinc/10/99/70/194109970.db2.gz	MJYPPQDMSFGRKG-HSZRJFAPSA-N	1	0	480.613	3.981	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1F	ZINC000012709987	195094416	/nfs/dbraw/zinc/09/44/16/195094416.db2.gz	ZDJFFHHSMZPBKE-UHFFFAOYSA-N	1	0	468.529	3.814	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccccc1OC	ZINC000006078361	520647058	/nfs/dbraw/zinc/64/70/58/520647058.db2.gz	NBAZTBUKXNDFMH-UHFFFAOYSA-N	1	0	496.633	3.849	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000020451427	523020998	/nfs/dbraw/zinc/02/09/98/523020998.db2.gz	CNMJNJOZVVKSNO-NRFANRHFSA-N	1	0	470.079	3.653	40	0		JHABRO
COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)cc1OC	ZINC000012482791	524054193	/nfs/dbraw/zinc/05/41/93/524054193.db2.gz	JHZDEACMXGWDJY-VXKWHMMOSA-N	1	0	492.620	3.803	40	0	biogenic,in-vitro	JHABRO
COc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1	ZINC000006135727	524664414	/nfs/dbraw/zinc/66/44/14/524664414.db2.gz	JJJBZCWUETZIJG-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2ccccc21	ZINC000044873885	525150847	/nfs/dbraw/zinc/15/08/47/525150847.db2.gz	KQXLCAKPIQOPAX-UHFFFAOYSA-N	1	0	465.619	3.908	40	0		JHABRO
CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1	ZINC000013612065	525156484	/nfs/dbraw/zinc/15/64/84/525156484.db2.gz	WPUYWGRQFHGSQP-UHFFFAOYSA-N	1	0	461.603	3.788	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)cc1	ZINC000016781335	525520659	/nfs/dbraw/zinc/52/06/59/525520659.db2.gz	ACIGCKWPIKJBCP-UHFFFAOYSA-N	1	0	469.651	3.698	40	0		JHABRO
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000020412456	526237654	/nfs/dbraw/zinc/23/76/54/526237654.db2.gz	OENXBRAOGMLWJQ-QIQOPLSOSA-N	1	0	450.623	3.602	40	0		JHABRO
CCOc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1	ZINC000000896119	553832585	/nfs/dbraw/zinc/83/25/85/553832585.db2.gz	XMKFOKGGJUILCL-UHFFFAOYSA-N	1	0	484.622	3.705	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000009062699	554880510	/nfs/dbraw/zinc/88/05/10/554880510.db2.gz	QZXMZEYRZITIOR-UHFFFAOYSA-N	1	0	489.613	3.860	40	0		JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1	ZINC000013499645	555433993	/nfs/dbraw/zinc/43/39/93/555433993.db2.gz	UUFFALOFURMLER-JOCHJYFZSA-N	1	0	480.613	3.981	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1	ZINC000013501130	555447690	/nfs/dbraw/zinc/44/76/90/555447690.db2.gz	GETJAZDMEZYLEM-OAQYLSRUSA-N	1	0	466.586	3.672	40	0		JHABRO
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1	ZINC000013673348	555564826	/nfs/dbraw/zinc/56/48/26/555564826.db2.gz	DKMDKNPDJHAXIP-UHFFFAOYSA-N	1	0	470.422	3.791	40	0		JHABRO
Cc1cccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)S(C)(=O)=O)c1	ZINC000010111288	555622521	/nfs/dbraw/zinc/62/25/21/555622521.db2.gz	QOXFKPWEALRJHM-UHFFFAOYSA-N	1	0	457.640	3.957	40	0		JHABRO
CN(c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000010278854	555672024	/nfs/dbraw/zinc/67/20/24/555672024.db2.gz	GTFSTYKGCVAVSD-UHFFFAOYSA-N	1	0	450.004	3.771	40	0		JHABRO
C[NH+](C)CCCNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	ZINC000010334316	555689831	/nfs/dbraw/zinc/68/98/31/555689831.db2.gz	BMMRPSYEOGGEOH-UHFFFAOYSA-N	1	0	458.411	3.641	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1	ZINC000010544228	555726045	/nfs/dbraw/zinc/72/60/45/555726045.db2.gz	HBTHSCVHKCIFRS-HXUWFJFHSA-N	1	0	465.660	3.644	40	0		JHABRO
CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)cc1	ZINC000021595695	555853578	/nfs/dbraw/zinc/85/35/78/555853578.db2.gz	WQGAHFRUNWDTNZ-UHFFFAOYSA-N	1	0	484.622	3.531	40	0		JHABRO
COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccccc1F	ZINC000022074090	555871109	/nfs/dbraw/zinc/87/11/09/555871109.db2.gz	NMJFESPMAWMQGD-UHFFFAOYSA-N	1	0	467.379	3.988	40	0		JHABRO
COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022928591	555979774	/nfs/dbraw/zinc/97/97/74/555979774.db2.gz	DYYBPHVXKXMBQT-XMMPIXPASA-N	1	0	454.619	3.845	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1OC	ZINC000022929375	555981689	/nfs/dbraw/zinc/98/16/89/555981689.db2.gz	NBRBFCDSJFPIJE-SANMLTNESA-N	1	0	494.615	3.917	40	0		JHABRO
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000019220776	556334898	/nfs/dbraw/zinc/33/48/98/556334898.db2.gz	QGHCWLWUMMJDSL-RUZDIDTESA-N	1	0	475.641	3.978	40	0		JHABRO
Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c12	ZINC000019236415	556336990	/nfs/dbraw/zinc/33/69/90/556336990.db2.gz	QHNYPVVNRNZBOT-RUZDIDTESA-N	1	0	475.641	3.978	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000019560029	556354180	/nfs/dbraw/zinc/35/41/80/556354180.db2.gz	CJDHWSBFULEDGS-SANMLTNESA-N	1	0	476.625	3.583	40	0		JHABRO
CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](Cc3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1	ZINC000035877483	569719816	/nfs/dbraw/zinc/71/98/16/569719816.db2.gz	FFOALPJGGMCZEU-PRKAKTJASA-N	1	0	469.541	3.870	40	0		JHABRO
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32c3ccccc3N(Cc3ccccc3)C2=O)cc1	ZINC000100184812	569754964	/nfs/dbraw/zinc/75/49/64/569754964.db2.gz	BTOBZXHDANZKDV-CPBHOCDRSA-N	1	0	493.563	3.721	40	0		JHABRO
O=C(c1ccc(F)cc1)N1CCC(C2CC[NH+]([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)CC1	ZINC000100226914	569755837	/nfs/dbraw/zinc/75/58/37/569755837.db2.gz	JGGWLTMDYSGDKK-XMMPIXPASA-N	1	0	463.553	3.722	40	0		JHABRO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000044874402	569839719	/nfs/dbraw/zinc/83/97/19/569839719.db2.gz	XVYQFNKYFYARQA-GOSISDBHSA-N	1	0	464.031	3.797	40	0		JHABRO
O=C(c1ccccc1)c1cc[n+](C2=NC(=O)S/C2=C/NNC(=S)Nc2ccccc2)cc1	ZINC000139186665	569867316	/nfs/dbraw/zinc/86/73/16/569867316.db2.gz	OJPGGJCDLGVHLJ-XDJHFCHBSA-O	1	0	460.564	3.651	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218228499	569883067	/nfs/dbraw/zinc/88/30/67/569883067.db2.gz	LUIVTCSJUVULPM-WOIUINJBSA-N	1	0	495.439	3.919	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218671041	569883555	/nfs/dbraw/zinc/88/35/55/569883555.db2.gz	QKKZJRGUJBBEID-WFXMLNOXSA-N	1	0	454.951	3.641	40	0		JHABRO
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCC(C)CC2)cc1OC	ZINC000223179872	569902245	/nfs/dbraw/zinc/90/22/45/569902245.db2.gz	MFQFXQJQRNFEHJ-FXBPSFAMSA-N	1	0	471.623	3.774	40	0		JHABRO
COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1	ZINC000223292644	569906463	/nfs/dbraw/zinc/90/64/63/569906463.db2.gz	BUZBCYZZTNAYRG-YADHBBJMSA-N	1	0	450.564	3.662	40	0		JHABRO
C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCOCC3)cn2)CC1	ZINC000224023133	569930908	/nfs/dbraw/zinc/93/09/08/569930908.db2.gz	DPIXCZJYDZCLRB-UHFFFAOYSA-N	1	0	460.047	3.522	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	ZINC000224514575	569946926	/nfs/dbraw/zinc/94/69/26/569946926.db2.gz	GEEYLIMBJRMRKZ-HSZRJFAPSA-N	1	0	490.069	3.794	40	0		JHABRO
CC(C)c1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000224523987	569947117	/nfs/dbraw/zinc/94/71/17/569947117.db2.gz	WYNVCFYTRASKMP-UHFFFAOYSA-N	1	0	457.640	3.878	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000224526300	569947260	/nfs/dbraw/zinc/94/72/60/569947260.db2.gz	HJRBWMNCLUSZCF-QHCPKHFHSA-N	1	0	476.042	3.795	40	0		JHABRO
COc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224531876	569947478	/nfs/dbraw/zinc/94/74/78/569947478.db2.gz	NPMHRQKWVYDRRF-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224606619	569950383	/nfs/dbraw/zinc/95/03/83/569950383.db2.gz	MSDSMKAJHNWMQK-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
Cc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1C	ZINC000224611583	569950691	/nfs/dbraw/zinc/95/06/91/569950691.db2.gz	OCSZFWIQTYMSJO-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000224631124	569951503	/nfs/dbraw/zinc/95/15/03/569951503.db2.gz	UXNMQISUXNOBBV-HSZRJFAPSA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000224632380	569951601	/nfs/dbraw/zinc/95/16/01/569951601.db2.gz	FWOJRUOCWAPUQF-OAQYLSRUSA-N	1	0	494.057	3.805	40	0		JHABRO
CN(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000224687022	569953523	/nfs/dbraw/zinc/95/35/23/569953523.db2.gz	CCEOISWMLBCDSL-UHFFFAOYSA-N	1	0	465.619	3.763	40	0		JHABRO
COc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224692694	569953774	/nfs/dbraw/zinc/95/37/74/569953774.db2.gz	RWMKDOHWPAPIAM-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
COc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1Cl	ZINC000224776396	569957117	/nfs/dbraw/zinc/95/71/17/569957117.db2.gz	OFAHADLSZNVDBB-UHFFFAOYSA-N	1	0	494.057	3.807	40	0		JHABRO
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224821105	569959158	/nfs/dbraw/zinc/95/91/58/569959158.db2.gz	WZQUWRZPRUOMAM-SFHVURJKSA-N	1	0	464.031	3.797	40	0		JHABRO
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)c1	ZINC000224834753	569959686	/nfs/dbraw/zinc/95/96/86/569959686.db2.gz	PKMBPTSTOATUJN-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1)Nc1ccccc1	ZINC000225498904	570000098	/nfs/dbraw/zinc/00/00/98/570000098.db2.gz	MERDLFDNHWIZNT-BJKOFHAPSA-N	1	0	454.559	3.879	40	0		JHABRO
CC(C)[C@H](C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1	ZINC000256070670	570107152	/nfs/dbraw/zinc/10/71/52/570107152.db2.gz	ZLVXBBHTMQJRSX-LLOSZVIFSA-N	1	0	465.638	3.553	40	0		JHABRO
C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)O3)CC1	ZINC000257201471	570108130	/nfs/dbraw/zinc/10/81/30/570108130.db2.gz	AHVHNSCTUFLNKV-SANMLTNESA-N	1	0	451.542	3.708	40	0		JHABRO
Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)c3cnn(CC4CC[NH+](C)CC4)c3)n2)nc1	ZINC000257208875	570110700	/nfs/dbraw/zinc/11/07/00/570110700.db2.gz	BNWMMEWFUPDHRL-XMMPIXPASA-N	1	0	487.608	3.553	40	0		JHABRO
COCC[N@@H+]1CC[C@H](CNC(=O)[C@]2(Cc3ccc(-c4cc(F)ccc4OC)cc3)CCCO2)C1	ZINC000257209728	570110998	/nfs/dbraw/zinc/11/09/98/570110998.db2.gz	BRRCXZCYDYWTIS-JIPXPUAJSA-N	1	0	470.585	3.678	40	0		JHABRO
CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3ccc(F)cc3F)CC2)CC1	ZINC000257222454	570114821	/nfs/dbraw/zinc/11/48/21/570114821.db2.gz	DTJLRLRMAKXECQ-UHFFFAOYSA-N	1	0	489.538	3.569	40	0		JHABRO
Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409062566	570115056	/nfs/dbraw/zinc/11/50/56/570115056.db2.gz	WVPVNQULFKRTCP-DCFWFYTKSA-O	1	0	463.355	3.774	40	0		JHABRO
COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1	ZINC000257264204	570127666	/nfs/dbraw/zinc/12/76/66/570127666.db2.gz	LTIMNKMEBKVCFT-UHFFFAOYSA-N	1	0	489.012	3.638	40	0		JHABRO
Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCCN4CCNC4=O)cc3)C2)cc(C)c1Cl	ZINC000257271344	570130065	/nfs/dbraw/zinc/13/00/65/570130065.db2.gz	MXXXGUGCKIKDSN-AREMUKBSSA-N	1	0	488.028	3.767	40	0		JHABRO
CC1(C(=O)N2CC[C@]3(CN(CCc4ccccc4)C(=O)O3)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000257296567	570137534	/nfs/dbraw/zinc/13/75/34/570137534.db2.gz	RDIZUPGFLFYQCS-MUUNZHRXSA-N	1	0	461.606	3.955	40	0		JHABRO
CCn1cc(C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000257360787	570153914	/nfs/dbraw/zinc/15/39/14/570153914.db2.gz	HJDYTPQRSBDNJD-BFFCPOFVSA-N	1	0	475.589	3.785	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O	ZINC000260743519	570156161	/nfs/dbraw/zinc/15/61/61/570156161.db2.gz	KAONOTUQKODRJB-IBGZPJMESA-N	1	0	458.068	3.965	40	0		JHABRO
CCOc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000260888128	570161667	/nfs/dbraw/zinc/16/16/67/570161667.db2.gz	HPUXGBRGTCUFSL-HXUWFJFHSA-N	1	0	473.639	3.542	40	0		JHABRO
COc1ccc(CN2C[C@@]3(CC[N@H+](Cc4ccccc4)C3)Oc3ccccc3S2(=O)=O)cc1	ZINC000306134144	570178425	/nfs/dbraw/zinc/17/84/25/570178425.db2.gz	NEHIZPSSCKXCMX-SANMLTNESA-N	1	0	464.587	3.923	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccnc2)n1	ZINC000328970762	570179952	/nfs/dbraw/zinc/17/99/52/570179952.db2.gz	DMDHLRMOHWWWAR-UHFFFAOYSA-N	1	0	481.320	3.881	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2cccc(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329003885	570181193	/nfs/dbraw/zinc/18/11/93/570181193.db2.gz	KOVMDLMCPXABDM-UHFFFAOYSA-N	1	0	453.415	3.881	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(F)cc1	ZINC000001342331	194098568	/nfs/dbraw/zinc/09/85/68/194098568.db2.gz	ADDOGVFTGJTFFA-HXUWFJFHSA-N	1	0	466.513	3.914	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1	ZINC000020801686	195227205	/nfs/dbraw/zinc/22/72/05/195227205.db2.gz	OYMPSBYCNJGZJC-WOJBJXKFSA-N	1	0	475.376	3.522	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1	ZINC000006078368	520647039	/nfs/dbraw/zinc/64/70/39/520647039.db2.gz	WNTZDQWYZYMTME-UHFFFAOYSA-N	1	0	452.580	3.798	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OCCC(C)C)cc1	ZINC000019817786	521092671	/nfs/dbraw/zinc/09/26/71/521092671.db2.gz	YDWHIEPHOJDWTJ-ZEQRLZLVSA-N	1	0	463.578	3.876	40	0		JHABRO
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000022535209	521837922	/nfs/dbraw/zinc/83/79/22/521837922.db2.gz	RQUXCRWPGWUTQL-UHFFFAOYSA-N	1	0	453.395	3.881	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1	ZINC000044857328	525009419	/nfs/dbraw/zinc/00/94/19/525009419.db2.gz	CJBWKDHBGRJCCZ-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000044939291	525023137	/nfs/dbraw/zinc/02/31/37/525023137.db2.gz	QDSJWVXCDWSMCW-UHFFFAOYSA-N	1	0	457.596	3.718	40	0		JHABRO
Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CC[NH+](CCN5CCOCC5)CC4)n3n2)cc1	ZINC000022468895	526314530	/nfs/dbraw/zinc/31/45/30/526314530.db2.gz	XTBYHUKHLJIHCW-UHFFFAOYSA-N	1	0	486.595	3.657	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	ZINC000044875175	526655938	/nfs/dbraw/zinc/65/59/38/526655938.db2.gz	NXYGPHHUOCYEGA-UHFFFAOYSA-N	1	0	487.641	3.670	40	0		JHABRO
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c(C)c1	ZINC000000891534	553829419	/nfs/dbraw/zinc/82/94/19/553829419.db2.gz	JBPFDGWFYHXZOV-UHFFFAOYSA-N	1	0	466.607	3.677	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1	ZINC000006193151	554517067	/nfs/dbraw/zinc/51/70/67/554517067.db2.gz	ZCCISXAVSWRZNK-UHFFFAOYSA-N	1	0	472.655	3.998	40	0		JHABRO
COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1	ZINC000006283197	554526677	/nfs/dbraw/zinc/52/66/77/554526677.db2.gz	MJMRTEGRRGUBDH-GOSISDBHSA-N	1	0	452.624	3.926	40	0		JHABRO
Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1C	ZINC000006410236	554535268	/nfs/dbraw/zinc/53/52/68/554535268.db2.gz	MXUBOSRGZASXAA-UHFFFAOYSA-N	1	0	480.634	3.702	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1	ZINC000013632384	555542245	/nfs/dbraw/zinc/54/22/45/555542245.db2.gz	VRYDRNQTFYUIGO-UHFFFAOYSA-N	1	0	473.639	3.663	40	0		JHABRO
CCOc1cc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc(OCC)c1OCC	ZINC000010004262	555591425	/nfs/dbraw/zinc/59/14/25/555591425.db2.gz	XAAPWEMVPPDUCP-UHFFFAOYSA-N	1	0	486.638	3.761	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000010111550	555622838	/nfs/dbraw/zinc/62/28/38/555622838.db2.gz	AYKHJLFKUCVFLO-UHFFFAOYSA-N	1	0	477.936	3.540	40	0		JHABRO
C[C@H]1[NH2+][C@@]2(c3ccccc3N(C/C=C\c3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000015276304	555892023	/nfs/dbraw/zinc/89/20/23/555892023.db2.gz	ZYXGJLLWVDKLSV-UDTJHFHESA-N	1	0	463.537	3.739	40	0		JHABRO
CCOc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929924	555982769	/nfs/dbraw/zinc/98/27/69/555982769.db2.gz	QYOIAANYWZWXII-AREMUKBSSA-N	1	0	460.626	3.964	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	ZINC000026109354	556241915	/nfs/dbraw/zinc/24/19/15/556241915.db2.gz	YONGPLSPFZGOPR-UHFFFAOYSA-N	1	0	476.470	3.527	40	0		JHABRO
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000030848004	556376105	/nfs/dbraw/zinc/37/61/05/556376105.db2.gz	SRBHGSRBFKPGFB-GOSISDBHSA-N	1	0	459.612	3.866	40	0		JHABRO
CCCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(OC)c(OC)c2)c(-c2ccno2)c1	ZINC000031561753	556399447	/nfs/dbraw/zinc/39/94/47/556399447.db2.gz	CGUIWXDBHIFQJV-FQEVSTJZSA-N	1	0	483.565	3.669	40	0	in-man	JHABRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(Br)c3)cc2)CC1	ZINC000032125261	556429324	/nfs/dbraw/zinc/42/93/24/556429324.db2.gz	HJBPZPYHFNDZAJ-UHFFFAOYSA-N	1	0	477.428	3.726	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000032464157	556435932	/nfs/dbraw/zinc/43/59/32/556435932.db2.gz	NPTDCJUJTWBOEL-NRFANRHFSA-N	1	0	476.042	3.653	40	0		JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1	ZINC000008582536	562939747	/nfs/dbraw/zinc/93/97/47/562939747.db2.gz	CTNXYCIANBIMDK-QHCPKHFHSA-N	1	0	480.613	3.981	40	0		JHABRO
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218121004	569882808	/nfs/dbraw/zinc/88/28/08/569882808.db2.gz	CQYWBLJYLUSQRQ-IPJJNNNSSA-N	1	0	466.987	3.511	40	0		JHABRO
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218656201	569883528	/nfs/dbraw/zinc/88/35/28/569883528.db2.gz	KZUVDLYIOIXBSS-IPJJNNNSSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1I	ZINC000223213656	569903707	/nfs/dbraw/zinc/90/37/07/569903707.db2.gz	VCWZTFYHHMFWOI-ROUUACIJSA-N	1	0	483.423	3.555	40	0		JHABRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223531155	569914775	/nfs/dbraw/zinc/91/47/75/569914775.db2.gz	HEORITONQDSXDH-CLJLJLNGSA-N	1	0	490.677	3.790	40	0		JHABRO
COc1ccc(Nc2cc(NCCNS(=O)(=O)c3ccccc3C(F)(F)F)nc(C)[nH+]2)cc1	ZINC000224139125	569934274	/nfs/dbraw/zinc/93/42/74/569934274.db2.gz	XJFHRRYRBZXDAU-UHFFFAOYSA-N	1	0	481.500	3.946	40	0		JHABRO
CN(c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224274865	569938891	/nfs/dbraw/zinc/93/88/91/569938891.db2.gz	BDBKPQNCPJCZJU-UHFFFAOYSA-N	1	0	450.004	3.627	40	0		JHABRO
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000224383735	569942716	/nfs/dbraw/zinc/94/27/16/569942716.db2.gz	XSXXYYBFAKERIU-UHFFFAOYSA-N	1	0	485.650	3.656	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000224530065	569947369	/nfs/dbraw/zinc/94/73/69/569947369.db2.gz	UEMXPJBNERQZCO-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
COc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000224531719	569947489	/nfs/dbraw/zinc/94/74/89/569947489.db2.gz	XSMRKTZSPRCOGQ-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000224621926	569951185	/nfs/dbraw/zinc/95/11/85/569951185.db2.gz	ZJPMSZZUHURMMZ-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000224628527	569951399	/nfs/dbraw/zinc/95/13/99/569951399.db2.gz	ZYQKOACUSBLLGV-UHFFFAOYSA-N	1	0	455.624	3.528	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	ZINC000224632490	569951574	/nfs/dbraw/zinc/95/15/74/569951574.db2.gz	ZIVLDYVESRADSG-JOCHJYFZSA-N	1	0	482.021	3.936	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O	ZINC000224690597	569953641	/nfs/dbraw/zinc/95/36/41/569953641.db2.gz	BFYBAQKQOIXLHL-XMMPIXPASA-N	1	0	457.640	3.842	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000224704352	569954216	/nfs/dbraw/zinc/95/42/16/569954216.db2.gz	QEYHKVWWJPBFBF-JOCHJYFZSA-N	1	0	473.614	3.529	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000224759277	569956385	/nfs/dbraw/zinc/95/63/85/569956385.db2.gz	OAMJJBUMKSTHLW-UHFFFAOYSA-N	1	0	463.603	3.794	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1	ZINC000224765739	569956697	/nfs/dbraw/zinc/95/66/97/569956697.db2.gz	YXCKGLGJAQNKSF-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1Cl	ZINC000224767113	569956804	/nfs/dbraw/zinc/95/68/04/569956804.db2.gz	USEZTOXGGXHGIW-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000224772266	569956953	/nfs/dbraw/zinc/95/69/53/569956953.db2.gz	PFAQAULJYIOHFL-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000224783687	569957416	/nfs/dbraw/zinc/95/74/16/569957416.db2.gz	DACKFQWPLLGFKA-DEOSSOPVSA-N	1	0	457.640	3.760	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1	ZINC000224791934	569957807	/nfs/dbraw/zinc/95/78/07/569957807.db2.gz	OXSGQZGBWWRVSZ-UHFFFAOYSA-N	1	0	464.031	3.798	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	ZINC000224799755	569958123	/nfs/dbraw/zinc/95/81/23/569958123.db2.gz	CPPORCSKWYZSJU-QHCPKHFHSA-N	1	0	490.069	3.794	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Br)c1	ZINC000224814028	569958745	/nfs/dbraw/zinc/95/87/45/569958745.db2.gz	DPQDZKASSDHWOF-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
COc1ccc(NC(=S)NC2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1	ZINC000225227713	569984086	/nfs/dbraw/zinc/98/40/86/569984086.db2.gz	HLVGGFIYVKMAIH-UHFFFAOYSA-N	1	0	475.611	3.681	40	0		JHABRO
C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1	ZINC000225554683	570005306	/nfs/dbraw/zinc/00/53/06/570005306.db2.gz	LONNOJWDXHUERO-SFHVURJKSA-N	1	0	492.041	3.852	40	0		JHABRO
CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O	ZINC000257199198	570107580	/nfs/dbraw/zinc/10/75/80/570107580.db2.gz	WFJPDQLFFXTXBG-HTDOXSGGSA-N	1	0	460.622	3.942	40	0		JHABRO
CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1	ZINC000257207110	570109999	/nfs/dbraw/zinc/10/99/99/570109999.db2.gz	BGJQPZVXZHILDY-JOCHJYFZSA-N	1	0	489.624	3.772	40	0		JHABRO
Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1	ZINC000409057380	570112455	/nfs/dbraw/zinc/11/24/55/570112455.db2.gz	PAHAOCQEVQOAHC-NXTBZVMJSA-O	1	0	463.355	3.774	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409060120	570113796	/nfs/dbraw/zinc/11/37/96/570113796.db2.gz	SXJXHDKBFKZOLL-IZZNHLLZSA-O	1	0	471.581	3.558	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409061536	570114572	/nfs/dbraw/zinc/11/45/72/570114572.db2.gz	FDEHQPVYUAUMBL-OXCHAKHSSA-O	1	0	466.920	3.894	40	0		JHABRO
Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409062567	570115081	/nfs/dbraw/zinc/11/50/81/570115081.db2.gz	WVPVNQULFKRTCP-KSYIGNPDSA-O	1	0	463.355	3.774	40	0		JHABRO
C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](c4n[nH]cc4-c4ccc(Cl)cc4)C3)ccn2)CC1	ZINC000257262266	570127007	/nfs/dbraw/zinc/12/70/07/570127007.db2.gz	LKSYXBSFJNDFED-HXUWFJFHSA-N	1	0	465.001	3.897	40	0		JHABRO
CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)cc1	ZINC000257266616	570128526	/nfs/dbraw/zinc/12/85/26/570128526.db2.gz	MDSMPUXKAMJPNG-LOSJGSFVSA-N	1	0	462.594	3.938	40	0		JHABRO
CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCc1cn(C)c2ccccc12	ZINC000257275683	570131299	/nfs/dbraw/zinc/13/12/99/570131299.db2.gz	NQLSEOOJLHYZFQ-HHHXNRCGSA-N	1	0	457.578	3.544	40	0		JHABRO
CN1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000257281979	570133305	/nfs/dbraw/zinc/13/33/05/570133305.db2.gz	ORTVSPYKNVGTHX-UHFFFAOYSA-N	1	0	470.013	3.806	40	0		JHABRO
C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]3c3cccc(Cc4ccccc4F)n3)ccn2)CC1	ZINC000257306847	570140458	/nfs/dbraw/zinc/14/04/58/570140458.db2.gz	SWGPFNHQODCSJZ-VWLOTQADSA-N	1	0	459.569	3.936	40	0		JHABRO
O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)O2)CC1	ZINC000257315831	570143206	/nfs/dbraw/zinc/14/32/06/570143206.db2.gz	VCYBDQQRMSJCEF-HHHXNRCGSA-N	1	0	458.562	3.991	40	0		JHABRO
O=C(C[NH+]1CCCC1)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1	ZINC000257321922	570145062	/nfs/dbraw/zinc/14/50/62/570145062.db2.gz	WDVSCAMZQNZHPJ-UHFFFAOYSA-N	1	0	462.034	3.826	40	0		JHABRO
Cc1nccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)c1	ZINC000257329608	570147324	/nfs/dbraw/zinc/14/73/24/570147324.db2.gz	XKSFMGRLVJMSEG-UIOOFZCWSA-N	1	0	486.012	3.691	40	0		JHABRO
CC(C)[C@@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328969437	570179811	/nfs/dbraw/zinc/17/98/11/570179811.db2.gz	DDYXPDQXOIYHEX-HXUWFJFHSA-N	1	0	467.536	4.273	40	0		JHABRO
CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1	ZINC000003940643	194366998	/nfs/dbraw/zinc/36/69/98/194366998.db2.gz	ZLVXBBHTMQJRSX-VMGNSXQWSA-N	1	0	465.638	3.553	40	0	in-vitro	JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1cccc(C)c1	ZINC000020801565	195227094	/nfs/dbraw/zinc/22/70/94/195227094.db2.gz	PWKUDDAUAZEOHO-RTWAWAEBSA-N	1	0	488.510	3.542	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1	ZINC000006193134	520621962	/nfs/dbraw/zinc/62/19/62/520621962.db2.gz	ISEIASLCIPEGHP-JOCHJYFZSA-N	1	0	458.672	3.732	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)NCc1ccccc1	ZINC000006193314	520646050	/nfs/dbraw/zinc/64/60/50/520646050.db2.gz	GDFVIZLHJYOJAP-UHFFFAOYSA-N	1	0	482.650	3.764	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1	ZINC000013498456	520921271	/nfs/dbraw/zinc/92/12/71/520921271.db2.gz	HDUKCNXPMQGRBC-XMMPIXPASA-N	1	0	480.613	3.782	40	0		JHABRO
COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCc3ccc4c(c3)OCO4)no2)cc1	ZINC000008623738	523109770	/nfs/dbraw/zinc/10/97/70/523109770.db2.gz	KIVHTWFCLQHRNO-PMACEKPBSA-N	1	0	463.534	3.554	40	0	biogenic,in-vitro	JHABRO
Cc1cc(C[C@@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl	ZINC000027530962	524828119	/nfs/dbraw/zinc/82/81/19/524828119.db2.gz	ZMUXPASZAVFSHP-RTWAWAEBSA-N	1	0	467.437	3.571	40	0		JHABRO
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1	ZINC000044875163	525176580	/nfs/dbraw/zinc/17/65/80/525176580.db2.gz	APZQSOBAWSGASQ-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(Cl)cc2C)cc1	ZINC000013670781	525503138	/nfs/dbraw/zinc/50/31/38/525503138.db2.gz	AEVGCNVOQBDWOZ-UHFFFAOYSA-N	1	0	464.031	3.754	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000044872099	525522518	/nfs/dbraw/zinc/52/25/18/525522518.db2.gz	WWJZSJDBBCIBJB-UHFFFAOYSA-N	1	0	469.651	3.941	40	0		JHABRO
C[C@H]1CC[N@@H+]2C[C@]34C[C@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@@H]3C[C@]12C(=O)N4C	ZINC000000603253	553711559	/nfs/dbraw/zinc/71/15/59/553711559.db2.gz	XNXXZRQPTAQILV-PYGUQFFJSA-N	1	0	477.605	3.681	40	0	biogenic,in-vitro	JHABRO
COc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1OC	ZINC000000896106	553832530	/nfs/dbraw/zinc/83/25/30/553832530.db2.gz	QZUKEGSBERLNEA-UHFFFAOYSA-N	1	0	475.014	3.959	40	0		JHABRO
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000009063438	554881338	/nfs/dbraw/zinc/88/13/38/554881338.db2.gz	YDGSHIYIVLMAOV-UHFFFAOYSA-N	1	0	462.015	3.975	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1	ZINC000013499111	555427936	/nfs/dbraw/zinc/42/79/36/555427936.db2.gz	SPOKULDTBNIVGL-QHCPKHFHSA-N	1	0	452.603	3.920	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1	ZINC000013500639	555442058	/nfs/dbraw/zinc/44/20/58/555442058.db2.gz	VGRAZILGWRWAMS-QHCPKHFHSA-N	1	0	466.586	3.528	40	0		JHABRO
Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCCN1C(=O)Cc1c(F)cccc1Cl	ZINC000013565258	555501518	/nfs/dbraw/zinc/50/15/18/555501518.db2.gz	NUHLPOJMGDLUBH-GOSISDBHSA-N	1	0	451.999	3.702	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000013613880	555535710	/nfs/dbraw/zinc/53/57/10/555535710.db2.gz	OZSXZWUHWHQYRQ-UHFFFAOYSA-N	1	0	461.603	3.712	40	0		JHABRO
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000013670316	555560799	/nfs/dbraw/zinc/56/07/99/555560799.db2.gz	SFILUNYRIWOUTM-UHFFFAOYSA-N	1	0	450.004	3.522	40	0		JHABRO
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCCC1	ZINC000013674392	555565715	/nfs/dbraw/zinc/56/57/15/555565715.db2.gz	ICJNBYYOZWIXMI-UHFFFAOYSA-N	1	0	470.422	3.791	40	0		JHABRO
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)cc1	ZINC000010111232	555622472	/nfs/dbraw/zinc/62/24/72/555622472.db2.gz	OEKGVGXTTYVAGT-UHFFFAOYSA-N	1	0	459.612	3.516	40	0		JHABRO
Cc1cccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)c1C	ZINC000010111206	555622510	/nfs/dbraw/zinc/62/25/10/555622510.db2.gz	JWMYFKUJWCEXGZ-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccccc2Cl)cc1	ZINC000010277499	555671347	/nfs/dbraw/zinc/67/13/47/555671347.db2.gz	AWRZDXPYENLYDA-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000010277345	555671479	/nfs/dbraw/zinc/67/14/79/555671479.db2.gz	HLSBTBBDAGNRHM-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000010281557	555672626	/nfs/dbraw/zinc/67/26/26/555672626.db2.gz	HSYCVVVSPIBYFE-UHFFFAOYSA-N	1	0	455.624	3.777	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cccc(Br)c2)cc1	ZINC000010450053	555716522	/nfs/dbraw/zinc/71/65/22/555716522.db2.gz	QMUGKDMIVFSPOX-UHFFFAOYSA-N	1	0	494.455	3.555	40	0		JHABRO
CN(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000010456791	555717290	/nfs/dbraw/zinc/71/72/90/555717290.db2.gz	AJHZKXOEGKMMQC-UHFFFAOYSA-N	1	0	465.619	3.763	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2C)cc1	ZINC000010540411	555723921	/nfs/dbraw/zinc/72/39/21/555723921.db2.gz	GKRSFWZZQFGHGV-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000015357190	555900637	/nfs/dbraw/zinc/90/06/37/555900637.db2.gz	AGABRLXCCFDBPM-UHFFFAOYSA-N	1	0	453.402	3.922	40	0		JHABRO
COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022929488	555981650	/nfs/dbraw/zinc/98/16/50/555981650.db2.gz	KDQBJOPLHMMGGF-VWLOTQADSA-N	1	0	464.589	3.909	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	ZINC000026110336	556242467	/nfs/dbraw/zinc/24/24/67/556242467.db2.gz	AKAFHRROOSLAOU-SFHVURJKSA-N	1	0	476.470	3.527	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	ZINC000026110328	556242583	/nfs/dbraw/zinc/24/25/83/556242583.db2.gz	AKAFHRROOSLAOU-GOSISDBHSA-N	1	0	476.470	3.527	40	0		JHABRO
CC1(C)CC(NS(=O)(=O)c2ccc(Br)cc2Br)CC(C)(C)[NH2+]1	ZINC000018004994	556275349	/nfs/dbraw/zinc/27/53/49/556275349.db2.gz	AEAIYSNUSXLSSC-UHFFFAOYSA-N	1	0	454.228	3.799	40	0		JHABRO
Cc1cc(Cl)ccc1C[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2C)CC1	ZINC000027530951	556291411	/nfs/dbraw/zinc/29/14/11/556291411.db2.gz	HOMAWCZWSDXOJZ-XZOQPEGZSA-N	1	0	467.437	3.571	40	0		JHABRO
COc1ccc(CNC[NH2+]C[C@@H](CO)[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1OC	ZINC000019328651	556341789	/nfs/dbraw/zinc/34/17/89/556341789.db2.gz	MBIMZLTYUHQLCC-WNCULLNHSA-N	1	0	456.627	3.767	40	0		JHABRO
CCC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(OCC)ccc3[nH]c2=O)CC1	ZINC000019503444	556350348	/nfs/dbraw/zinc/35/03/48/556350348.db2.gz	KMZXNCIZLHFHSS-DEOSSOPVSA-N	1	0	479.629	3.536	40	0		JHABRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)CC1	ZINC000032125089	556428632	/nfs/dbraw/zinc/42/86/32/556428632.db2.gz	FINFXHACFQUVRN-UHFFFAOYSA-N	1	0	494.402	3.560	40	0		JHABRO
Cc1cc(Br)cc(Br)c1OCC(=O)N1CC[NH+]=Cc2cc(N)ccc21	ZINC000073642520	569704596	/nfs/dbraw/zinc/70/45/96/569704596.db2.gz	TZOMSJHHPYTUDY-UHFFFAOYSA-N	1	0	467.161	3.947	40	0		JHABRO
O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000040373159	569824273	/nfs/dbraw/zinc/82/42/73/569824273.db2.gz	DPIGHOUPVPNKNR-SANMLTNESA-N	1	0	474.601	3.743	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218671997	569883489	/nfs/dbraw/zinc/88/34/89/569883489.db2.gz	CCVGTPKYBPVLDW-WFXMLNOXSA-N	1	0	454.951	3.641	40	0		JHABRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1CCC[NH+]1CCOCC1	ZINC000222914394	569894269	/nfs/dbraw/zinc/89/42/69/569894269.db2.gz	MDVGECCXIQOJBS-DNQXCXABSA-N	1	0	455.672	3.851	40	0		JHABRO
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C	ZINC000222959280	569895463	/nfs/dbraw/zinc/89/54/63/569895463.db2.gz	PLSNJXUPBVRUFD-BJKOFHAPSA-N	1	0	455.672	3.995	40	0		JHABRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223340462	569908020	/nfs/dbraw/zinc/90/80/20/569908020.db2.gz	ZYNJHCRYWIKLHS-DQEYMECFSA-N	1	0	479.650	3.988	40	0		JHABRO
CN(c1ccc(C(=O)NCCC2CC[NH+](C)CC2)c(Cl)c1)S(=O)(=O)c1ccccc1	ZINC000224236409	569937539	/nfs/dbraw/zinc/93/75/39/569937539.db2.gz	IQVSWETWKYHYOM-UHFFFAOYSA-N	1	0	450.004	3.627	40	0		JHABRO
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000224537349	569947644	/nfs/dbraw/zinc/94/76/44/569947644.db2.gz	MVHKUMQVYLPDLS-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224619383	569951034	/nfs/dbraw/zinc/95/10/34/569951034.db2.gz	NUCCBYTXBOHQIC-JOCHJYFZSA-N	1	0	464.031	3.797	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000224622007	569951138	/nfs/dbraw/zinc/95/11/38/569951138.db2.gz	LNNXIBYZZJTBJR-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
O=C(COc1ccc(I)cc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224628292	569951439	/nfs/dbraw/zinc/95/14/39/569951439.db2.gz	XLUXKBGUCSNBAZ-UHFFFAOYSA-N	1	0	450.320	3.582	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000224781009	569957343	/nfs/dbraw/zinc/95/73/43/569957343.db2.gz	XYQOCSNKRLLTTQ-UHFFFAOYSA-N	1	0	483.678	3.573	40	0		JHABRO
CC(C)c1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224813810	569958773	/nfs/dbraw/zinc/95/87/73/569958773.db2.gz	MXRKHWPFRDEAPD-UHFFFAOYSA-N	1	0	457.640	3.878	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)c(Cl)c1	ZINC000224820484	569959156	/nfs/dbraw/zinc/95/91/56/569959156.db2.gz	AMZYNVXGJQQNMS-UHFFFAOYSA-N	1	0	467.994	3.547	40	0		JHABRO
CCCOc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224833897	569959653	/nfs/dbraw/zinc/95/96/53/569959653.db2.gz	UJCLIGUVVZJIEV-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000224845206	569960112	/nfs/dbraw/zinc/96/01/12/569960112.db2.gz	RCAAHHBFMIAKSW-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
O=c1sc2cc(S(=O)(=O)NCCC[NH+]3CCCCC3)ccc2n1Cc1ccc(Cl)cc1	ZINC000225788342	570021755	/nfs/dbraw/zinc/02/17/55/570021755.db2.gz	ZNNJHTNWRLLLNH-UHFFFAOYSA-N	1	0	480.055	3.919	40	0		JHABRO
CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O	ZINC000257199197	570107597	/nfs/dbraw/zinc/10/75/97/570107597.db2.gz	WFJPDQLFFXTXBG-CIQIAWSTSA-N	1	0	460.622	3.942	40	0		JHABRO
CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC[C@H]3c2cccc(F)c2)c(OCC(N)=O)c1	ZINC000257201462	570108171	/nfs/dbraw/zinc/10/81/71/570108171.db2.gz	AHUVSVQHBBPUAB-QHCPKHFHSA-N	1	0	481.612	3.873	40	0		JHABRO
Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000409054668	570111242	/nfs/dbraw/zinc/11/12/42/570111242.db2.gz	AXRKSJXLANIUCJ-DNQXCXABSA-O	1	0	461.973	3.731	40	0		JHABRO
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Oc1ccc(F)cc1	ZINC000257214491	570112503	/nfs/dbraw/zinc/11/25/03/570112503.db2.gz	CMECVXMVJHKBSI-DHLKQENFSA-N	1	0	467.585	3.566	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1	ZINC000409058085	570112846	/nfs/dbraw/zinc/11/28/46/570112846.db2.gz	SIGNIVLEKVLOMU-ATQAMDNPSA-O	1	0	460.529	3.974	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409058711	570113062	/nfs/dbraw/zinc/11/30/62/570113062.db2.gz	KLESCTVZRUBAAW-UIOOFZCWSA-O	1	0	455.582	3.857	40	0		JHABRO
COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409061105	570114233	/nfs/dbraw/zinc/11/42/33/570114233.db2.gz	VHVKLMXZVGPKFK-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409061315	570114346	/nfs/dbraw/zinc/11/43/46/570114346.db2.gz	ZEISMWGVHVGNDE-GXTRAYHQSA-O	1	0	478.956	3.763	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409061641	570114544	/nfs/dbraw/zinc/11/45/44/570114544.db2.gz	YXILEZUITDJLDZ-CLJLJLNGSA-O	1	0	473.572	3.996	40	0		JHABRO
Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000409062130	570114801	/nfs/dbraw/zinc/11/48/01/570114801.db2.gz	OEVWNXDRBUSJIG-ZEQRLZLVSA-O	1	0	461.973	3.731	40	0		JHABRO
Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000409062128	570114851	/nfs/dbraw/zinc/11/48/51/570114851.db2.gz	OEVWNXDRBUSJIG-DNQXCXABSA-O	1	0	461.973	3.731	40	0		JHABRO
CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1	ZINC000257224061	570115302	/nfs/dbraw/zinc/11/53/02/570115302.db2.gz	FAEAYKITSJDDIN-HSZRJFAPSA-N	1	0	452.574	3.822	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000409065283	570116075	/nfs/dbraw/zinc/11/60/75/570116075.db2.gz	FNXJLNJYLYPRPS-UJYVDFKESA-O	1	0	478.956	3.682	40	0		JHABRO
Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)n1	ZINC000257226987	570116192	/nfs/dbraw/zinc/11/61/92/570116192.db2.gz	FNCKAWMYJHFPAZ-UHFFFAOYSA-N	1	0	464.545	3.723	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409075739	570119974	/nfs/dbraw/zinc/11/99/74/570119974.db2.gz	ZYTNATRQFKBFAV-QNFOJNSQSA-O	1	0	478.956	3.682	40	0		JHABRO
C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000257246334	570121999	/nfs/dbraw/zinc/12/19/99/570121999.db2.gz	ITPUAOMIKWBDSC-LJQANCHMSA-N	1	0	490.526	3.549	40	0		JHABRO
COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COC[C@@H]4CCCO4)C[C@@H]32)cc1	ZINC000257253875	570124407	/nfs/dbraw/zinc/12/44/07/570124407.db2.gz	KAPTZAFCROMQDD-FICKONGGSA-N	1	0	464.606	3.707	40	0		JHABRO
CCCc1ccc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)o1	ZINC000257258788	570125809	/nfs/dbraw/zinc/12/58/09/570125809.db2.gz	KVONOXWPJZYECT-RUZDIDTESA-N	1	0	477.001	3.784	40	0		JHABRO
O=C1C[C@H](c2ccccc2)[C@@H]2[C@@H](CCC[C@@H]2[NH2+]CCN2CCOCC2)N1Cc1ccc(F)cc1	ZINC000257286547	570134594	/nfs/dbraw/zinc/13/45/94/570134594.db2.gz	PLZMITRCNZLLDV-ASUDMDKOSA-N	1	0	465.613	3.801	40	0		JHABRO
COc1ccccc1[C@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CC[NH+](C)CC2)CCN1C(C)=O	ZINC000257294568	570136823	/nfs/dbraw/zinc/13/68/23/570136823.db2.gz	QUSHAHZXGWZWPU-XMMPIXPASA-N	1	0	467.585	3.521	40	0		JHABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)O3)CC1	ZINC000257323137	570145543	/nfs/dbraw/zinc/14/55/43/570145543.db2.gz	WIXCJFSDECVNMJ-MHZLTWQESA-N	1	0	465.569	3.704	40	0		JHABRO
Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1C	ZINC000260892696	570162064	/nfs/dbraw/zinc/16/20/64/570162064.db2.gz	DGYPXNGELVAEDY-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1Cl	ZINC000260897470	570162470	/nfs/dbraw/zinc/16/24/70/570162470.db2.gz	MGFIALYKGURFHE-GOSISDBHSA-N	1	0	494.057	3.805	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC	ZINC000001342336	194098609	/nfs/dbraw/zinc/09/86/09/194098609.db2.gz	ZBCHQFLQFGUTDY-LJQANCHMSA-N	1	0	478.549	3.784	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1	ZINC000001375471	194110268	/nfs/dbraw/zinc/11/02/68/194110268.db2.gz	XEUJCRBAXRCAJM-JOCHJYFZSA-N	1	0	480.613	3.981	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1	ZINC000001375112	194109516	/nfs/dbraw/zinc/10/95/16/194109516.db2.gz	USOFTIHTEHXUMG-HSZRJFAPSA-N	1	0	480.613	3.981	40	0		JHABRO
C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cc(Br)ccc2Cl)CC1	ZINC000009892037	195015903	/nfs/dbraw/zinc/01/59/03/195015903.db2.gz	QQFIZRSNQGAMLF-UHFFFAOYSA-N	1	0	467.820	3.981	40	0		JHABRO
COCC[NH2+][C@@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2[C@H](c2cccc(OC)c2)C1	ZINC000012603273	195048256	/nfs/dbraw/zinc/04/82/56/195048256.db2.gz	BKDIFBOIZNFBKT-TZAMREQXSA-N	1	0	463.578	3.757	40	0	biogenic,in-vitro	JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1OC	ZINC000012709984	195094394	/nfs/dbraw/zinc/09/43/94/195094394.db2.gz	DTSBAKLKXHFBIM-UHFFFAOYSA-N	1	0	480.565	3.684	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1ccccc1OC	ZINC000012709072	195094090	/nfs/dbraw/zinc/09/40/90/195094090.db2.gz	XSWLJDHXYIBNOY-UHFFFAOYSA-N	1	0	482.581	3.930	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1	ZINC000006193128	520620455	/nfs/dbraw/zinc/62/04/55/520620455.db2.gz	MVZDTHUOYIXFKW-JOCHJYFZSA-N	1	0	458.672	3.732	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000044872607	521849337	/nfs/dbraw/zinc/84/93/37/521849337.db2.gz	NCFUUPJGOUILDW-DEOSSOPVSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1cc2ccnc([C@@]3(O)CC[N@@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C3)c2cc1OC	ZINC000005373832	523061334	/nfs/dbraw/zinc/06/13/34/523061334.db2.gz	SZYNDAOHCHSDSO-RXFWQSSRSA-N	1	0	450.535	3.850	40	0		JHABRO
CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2cccs2)no1)Cc1ccccc1	ZINC000012482138	523171707	/nfs/dbraw/zinc/17/17/07/523171707.db2.gz	ZHQLWOMSCYQVDX-SFTDATJTSA-N	1	0	452.624	3.843	40	0	biogenic,in-vitro	JHABRO
COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3ccccc3C[NH+](C)C)c2=O)cc1	ZINC000004237214	523675453	/nfs/dbraw/zinc/67/54/53/523675453.db2.gz	KWCWRGJXMZFLRT-SIKLNZKXSA-N	1	0	457.574	3.845	40	0	biogenic,in-vitro	JHABRO
CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](CC)CC)C(=S)NC[C@@H]3CCCO3)cc2c1	ZINC000006197692	524058008	/nfs/dbraw/zinc/05/80/08/524058008.db2.gz	XAZHKTHNPHHUCM-QFIPXVFZSA-N	1	0	458.672	3.678	40	0		JHABRO
Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000013669280	524405460	/nfs/dbraw/zinc/40/54/60/524405460.db2.gz	HLZDARNZCGOARJ-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
COc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1	ZINC000006135712	524664678	/nfs/dbraw/zinc/66/46/78/524664678.db2.gz	ACKKPSFGKUKSBK-UHFFFAOYSA-N	1	0	484.622	3.705	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1	ZINC000044874730	525154295	/nfs/dbraw/zinc/15/42/95/525154295.db2.gz	XIYKKOIPWXPUOE-UHFFFAOYSA-N	1	0	461.603	3.674	40	0		JHABRO
Cc1c([N+]2=C3CCCCCN3[C@@](O)(c3ccc(Br)cc3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000027525268	525823777	/nfs/dbraw/zinc/82/37/77/525823777.db2.gz	CXEFCNUUXLDZJV-VWLOTQADSA-N	1	0	496.429	3.897	40	0		JHABRO
COc1cc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)c(=O)[nH]c2cc1OC	ZINC000006198519	554519779	/nfs/dbraw/zinc/51/97/79/554519779.db2.gz	PKNSZKWIXIZKMX-UHFFFAOYSA-N	1	0	460.644	3.506	40	0		JHABRO
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000008917922	554813567	/nfs/dbraw/zinc/81/35/67/554813567.db2.gz	MFEBZGVGGHPYMT-WVBGXPNBSA-N	1	0	460.014	3.908	40	0		JHABRO
COCCn1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O	ZINC000013498774	555424838	/nfs/dbraw/zinc/42/48/38/555424838.db2.gz	RUXDARKBHZYPAH-JOCHJYFZSA-N	1	0	482.610	3.631	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1	ZINC000013498983	555426747	/nfs/dbraw/zinc/42/67/47/555426747.db2.gz	LFSUICFPTBKUIZ-QHCPKHFHSA-N	1	0	452.603	3.920	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1	ZINC000013500617	555442183	/nfs/dbraw/zinc/44/21/83/555442183.db2.gz	CHMOWFAWFJVUMJ-QHCPKHFHSA-N	1	0	466.586	3.528	40	0		JHABRO
CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1	ZINC000013501213	555448613	/nfs/dbraw/zinc/44/86/13/555448613.db2.gz	SMNHLSIXSGXQSP-UNMCSNQZSA-N	1	0	494.596	3.708	40	0		JHABRO
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1	ZINC000013561711	555494877	/nfs/dbraw/zinc/49/48/77/555494877.db2.gz	UWBQBRXECYEHIY-UHFFFAOYSA-N	1	0	460.460	3.684	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000013670626	555561281	/nfs/dbraw/zinc/56/12/81/555561281.db2.gz	LILXXJWYRMZZGM-UHFFFAOYSA-N	1	0	491.629	3.658	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(Cl)cc2)cc1	ZINC000010278228	555671674	/nfs/dbraw/zinc/67/16/74/555671674.db2.gz	JCVIAVNLEOEWAQ-UHFFFAOYSA-N	1	0	480.030	3.536	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1	ZINC000010450091	555716699	/nfs/dbraw/zinc/71/66/99/555716699.db2.gz	KUZOVCIZDBGTOV-UHFFFAOYSA-N	1	0	491.679	3.605	40	0		JHABRO
COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccccc1	ZINC000010540392	555724019	/nfs/dbraw/zinc/72/40/19/555724019.db2.gz	XZOSFILLNMOQML-UHFFFAOYSA-N	1	0	494.057	3.782	40	0		JHABRO
O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022912798	555968400	/nfs/dbraw/zinc/96/84/00/555968400.db2.gz	AJWWGUUASYXBQU-ICSVULDUSA-N	1	0	456.627	3.517	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022929391	555981638	/nfs/dbraw/zinc/98/16/38/555981638.db2.gz	CARNRNMYCTYGAG-VWLOTQADSA-N	1	0	480.588	3.527	40	0		JHABRO
COc1ccccc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1	ZINC000022929346	555981675	/nfs/dbraw/zinc/98/16/75/555981675.db2.gz	UMYULNKZYOFERF-XMMPIXPASA-N	1	0	450.562	3.519	40	0		JHABRO
CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccc(F)cc1	ZINC000023471912	556073845	/nfs/dbraw/zinc/07/38/45/556073845.db2.gz	MLHQSLMHRMUMBB-OAHLLOKOSA-N	1	0	455.368	3.626	40	0		JHABRO
CN(C)C(=O)n1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc2c1c1ccccc1n2CC1CC1	ZINC000096146528	569736525	/nfs/dbraw/zinc/73/65/25/569736525.db2.gz	QSIBXYJCUHJKBT-UHFFFAOYSA-N	1	0	470.577	3.893	40	0		JHABRO
O=C(c1ccccc1)N1CCN(c2ccc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cn32)CC1	ZINC000096156003	569736737	/nfs/dbraw/zinc/73/67/37/569736737.db2.gz	FSCRPNUJHIRYIM-UHFFFAOYSA-N	1	0	485.632	3.602	40	0		JHABRO
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)O2	ZINC000038831911	569808744	/nfs/dbraw/zinc/80/87/44/569808744.db2.gz	DNMBVYCFMIDKNU-RUZDIDTESA-N	1	0	499.677	3.813	40	0		JHABRO
O=C(NCC[NH+]1CCCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc21	ZINC000205126836	569873989	/nfs/dbraw/zinc/87/39/89/569873989.db2.gz	BENUHBSJOJMZEE-UHFFFAOYSA-N	1	0	462.569	3.699	40	0		JHABRO
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218656360	569883524	/nfs/dbraw/zinc/88/35/24/569883524.db2.gz	KZUVDLYIOIXBSS-JQVVWYNYSA-N	1	0	450.988	3.810	40	0		JHABRO
CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1NC(=O)C(C)C	ZINC000223320471	569907399	/nfs/dbraw/zinc/90/73/99/569907399.db2.gz	UOEGYLJNTGNXJO-UHFFFAOYSA-N	1	0	461.653	3.730	40	0		JHABRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223491900	569913325	/nfs/dbraw/zinc/91/33/25/569913325.db2.gz	HFWIETPRZLHZQM-IZZNHLLZSA-N	1	0	490.677	3.790	40	0		JHABRO
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000224537402	569947638	/nfs/dbraw/zinc/94/76/38/569947638.db2.gz	MVHKUMQVYLPDLS-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000224631222	569951532	/nfs/dbraw/zinc/95/15/32/569951532.db2.gz	HNHHYOFOECSJAL-XMMPIXPASA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000224691013	569953686	/nfs/dbraw/zinc/95/36/86/569953686.db2.gz	ODJXKFODXZAJSC-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224786273	569957473	/nfs/dbraw/zinc/95/74/73/569957473.db2.gz	UQHDEODORFQOJO-AREMUKBSSA-N	1	0	483.678	3.573	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000224795439	569957959	/nfs/dbraw/zinc/95/79/59/569957959.db2.gz	SXIPXWJIOCJPOB-XMMPIXPASA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224815130	569958884	/nfs/dbraw/zinc/95/88/84/569958884.db2.gz	GLRGSUZORJRCAC-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)cc1	ZINC000224834823	569959666	/nfs/dbraw/zinc/95/96/66/569959666.db2.gz	GABOFVLNHJOXRV-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224835608	569959698	/nfs/dbraw/zinc/95/96/98/569959698.db2.gz	KKUIYBKFDKFXII-MHZLTWQESA-N	1	0	497.705	3.963	40	0		JHABRO
COc1ccccc1N(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224846666	569960153	/nfs/dbraw/zinc/96/01/53/569960153.db2.gz	BGEWCEHJQQTDDF-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000225552552	570005084	/nfs/dbraw/zinc/00/50/84/570005084.db2.gz	BUIXEBVCBNVJMB-UYAOXDASSA-N	1	0	456.052	3.512	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242495188	570053843	/nfs/dbraw/zinc/05/38/43/570053843.db2.gz	FYRLKGWBFZAGTM-JQVVWYNYSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1nonc1COc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H](Cc2cccc3cccnc32)C1	ZINC000257200454	570107934	/nfs/dbraw/zinc/10/79/34/570107934.db2.gz	ADKJERGWZICWQK-FQEVSTJZSA-N	1	0	471.561	3.752	40	0		JHABRO
C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000257200987	570108073	/nfs/dbraw/zinc/10/80/73/570108073.db2.gz	AFQZOKAHWFJTEY-IBGZPJMESA-N	1	0	473.499	3.824	40	0		JHABRO
CCCn1c2ccc(NC(=O)CN3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)cc2oc1=O	ZINC000257202314	570108459	/nfs/dbraw/zinc/10/84/59/570108459.db2.gz	ALGFSHDHYLQUMJ-VXKWHMMOSA-N	1	0	476.577	3.599	40	0		JHABRO
COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409054699	570111240	/nfs/dbraw/zinc/11/12/40/570111240.db2.gz	BBLYAFJAVKIZRR-LMOLPZMTSA-O	1	0	493.381	3.782	40	0		JHABRO
Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000409054672	570111298	/nfs/dbraw/zinc/11/12/98/570111298.db2.gz	AXRKSJXLANIUCJ-ZEQRLZLVSA-O	1	0	461.973	3.731	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409057752	570112604	/nfs/dbraw/zinc/11/26/04/570112604.db2.gz	MCRGNSOEFSRBLA-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409060800	570114102	/nfs/dbraw/zinc/11/41/02/570114102.db2.gz	YCRFLAFIHSKGKK-SXOMAYOGSA-O	1	0	485.608	3.866	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409061518	570114607	/nfs/dbraw/zinc/11/46/07/570114607.db2.gz	DXEKOPJJMIHWFO-UJYVDFKESA-O	1	0	478.956	3.682	40	0		JHABRO
Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409062568	570115075	/nfs/dbraw/zinc/11/50/75/570115075.db2.gz	WVPVNQULFKRTCP-NXTBZVMJSA-O	1	0	463.355	3.774	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1	ZINC000409062503	570115088	/nfs/dbraw/zinc/11/50/88/570115088.db2.gz	VUIWTWGVSWUPFC-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1	ZINC000409068154	570117275	/nfs/dbraw/zinc/11/72/75/570117275.db2.gz	KIUOZQSLRZTQRK-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409071049	570118237	/nfs/dbraw/zinc/11/82/37/570118237.db2.gz	ODGRUFJUNZCVFJ-CCFRHWNESA-O	1	0	478.956	3.763	40	0		JHABRO
CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CC[NH+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)CC2	ZINC000257255866	570124959	/nfs/dbraw/zinc/12/49/59/570124959.db2.gz	KJFFFULDVVTLGB-DEOSSOPVSA-N	1	0	477.649	3.904	40	0		JHABRO
C[N@@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000257265228	570128083	/nfs/dbraw/zinc/12/80/83/570128083.db2.gz	LXUZCNORRMVTCS-IBGZPJMESA-N	1	0	490.526	3.549	40	0		JHABRO
C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1	ZINC000257269908	570129575	/nfs/dbraw/zinc/12/95/75/570129575.db2.gz	MRXSVKROEDQBET-DEOSSOPVSA-N	1	0	460.977	3.623	40	0		JHABRO
CC(=O)N[C@]12CN(CC(=O)N(c3ccccc3)c3ccccc3)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2	ZINC000257297915	570137791	/nfs/dbraw/zinc/13/77/91/570137791.db2.gz	RJICUBVNBVSSKL-CRXYYGHGSA-N	1	0	468.601	3.893	40	0		JHABRO
Cc1cnn(C)c1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1	ZINC000257298939	570138013	/nfs/dbraw/zinc/13/80/13/570138013.db2.gz	RNZMTCUNJVWBBK-AREMUKBSSA-N	1	0	488.076	3.516	40	0		JHABRO
CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(Cc4ccc(F)cc4)CC[NH+](C)CC3)C2)n1	ZINC000257305507	570140010	/nfs/dbraw/zinc/14/00/10/570140010.db2.gz	SQIDCRXYWHSZOW-RUZDIDTESA-N	1	0	453.606	3.801	40	0		JHABRO
COc1cccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)Nc4cc(OC)ccc4NC(C)=O)C[C@H]23)c1	ZINC000257308575	570141064	/nfs/dbraw/zinc/14/10/64/570141064.db2.gz	TXGSNJXTVVNARU-TXTKFYIRSA-N	1	0	451.567	3.801	40	0		JHABRO
C[NH+](C)CCCNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328976728	570180299	/nfs/dbraw/zinc/18/02/99/570180299.db2.gz	FPQAEHJSKBJLDX-UHFFFAOYSA-N	1	0	451.518	3.923	40	0		JHABRO
C[C@@H](NC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1	ZINC000006283194	194423421	/nfs/dbraw/zinc/42/34/21/194423421.db2.gz	NGTCDICMAXWHKF-GOSISDBHSA-N	1	0	480.634	3.689	40	0		JHABRO
COc1cc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1OC	ZINC000012709049	195094155	/nfs/dbraw/zinc/09/41/55/195094155.db2.gz	GOEDDXLWHDDYSA-UHFFFAOYSA-N	1	0	456.518	3.670	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccc(C)cc1	ZINC000020674556	195199572	/nfs/dbraw/zinc/19/95/72/195199572.db2.gz	UBHTVSSEGBNXJY-RTWAWAEBSA-N	1	0	488.510	3.542	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1	ZINC000006193122	520620632	/nfs/dbraw/zinc/62/06/32/520620632.db2.gz	CWAQCGPBGPDKNX-NRFANRHFSA-N	1	0	458.672	3.732	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)cc2c1	ZINC000006196620	521283893	/nfs/dbraw/zinc/28/38/93/521283893.db2.gz	UBHQWZLGKZGRAF-SFHVURJKSA-N	1	0	452.624	3.926	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	ZINC000044949266	523019464	/nfs/dbraw/zinc/01/94/64/523019464.db2.gz	FEHKQPBDJMIYQD-IBGZPJMESA-N	1	0	488.069	3.792	40	0		JHABRO
COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(c4ccccc4)CC3)no2)cc1	ZINC000008623836	523107860	/nfs/dbraw/zinc/10/78/60/523107860.db2.gz	GLRFRJMXEPFKRS-GOTSBHOMSA-N	1	0	474.605	3.857	40	0	biogenic,in-vitro	JHABRO
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006197791	524058010	/nfs/dbraw/zinc/05/80/10/524058010.db2.gz	FYRZVXPOTWHKGD-UHFFFAOYSA-N	1	0	466.651	3.928	40	0		JHABRO
C[C@@]1(C[NH+]2CCCC2)COc2c(I)cc(I)cc2C1=O	ZINC000016578164	525830129	/nfs/dbraw/zinc/83/01/29/525830129.db2.gz	RNZUKTHJGBVSBO-OAHLLOKOSA-N	1	0	497.114	3.573	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000044872715	526656772	/nfs/dbraw/zinc/65/67/72/526656772.db2.gz	LYLOLYANWFPJSQ-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
COc1ccc(CCNC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC	ZINC000006320696	554530518	/nfs/dbraw/zinc/53/05/18/554530518.db2.gz	YMRKHXFVUDFSJM-UHFFFAOYSA-N	1	0	496.677	3.643	40	0		JHABRO
COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006443492	554537629	/nfs/dbraw/zinc/53/76/29/554537629.db2.gz	WTTAHRPOXBDEEM-UHFFFAOYSA-N	1	0	452.624	3.674	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O	ZINC000013494662	555405446	/nfs/dbraw/zinc/40/54/46/555405446.db2.gz	FYRYQRIPKYQRBU-QFIPXVFZSA-N	1	0	474.565	3.540	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1	ZINC000013498559	555422214	/nfs/dbraw/zinc/42/22/14/555422214.db2.gz	HNSBXSFGEHBKLD-QHCPKHFHSA-N	1	0	466.586	3.528	40	0		JHABRO
COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1	ZINC000013498694	555423878	/nfs/dbraw/zinc/42/38/78/555423878.db2.gz	WPMVGTSJRZBNBM-HSZRJFAPSA-N	1	0	468.602	3.702	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)CC2)cc1	ZINC000013613430	555535305	/nfs/dbraw/zinc/53/53/05/555535305.db2.gz	JLDAPZLROLWKON-UHFFFAOYSA-N	1	0	489.641	3.700	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cc(C)ccc2C)cc1	ZINC000013647478	555551731	/nfs/dbraw/zinc/55/17/31/555551731.db2.gz	PFUDHCDBAFRWBC-UHFFFAOYSA-N	1	0	457.640	3.799	40	0		JHABRO
Cc1cccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000013670424	555561114	/nfs/dbraw/zinc/56/11/14/555561114.db2.gz	AFODANZUPJKFCF-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000010111144	555622208	/nfs/dbraw/zinc/62/22/08/555622208.db2.gz	GNPSJDLILOZJLA-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
CN(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000010282051	555672889	/nfs/dbraw/zinc/67/28/89/555672889.db2.gz	CQSKEKPWFWVRQM-UHFFFAOYSA-N	1	0	465.619	3.763	40	0		JHABRO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCc1cccs1	ZINC000022107547	555874392	/nfs/dbraw/zinc/87/43/92/555874392.db2.gz	WFAIUIHGNCKOMQ-UHFFFAOYSA-N	1	0	467.012	3.969	40	0		JHABRO
COc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1	ZINC000022108416	555875315	/nfs/dbraw/zinc/87/53/15/555875315.db2.gz	BEGYHYMLVWORMA-NIYFSFCBSA-N	1	0	459.550	3.770	40	0		JHABRO
CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCC(C(N)=O)CC3)no2)cc1	ZINC000015673766	555932908	/nfs/dbraw/zinc/93/29/08/555932908.db2.gz	FDZFSYSHZRBZEE-SFTDATJTSA-N	1	0	466.626	3.521	40	0	biogenic,in-vitro	JHABRO
O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1	ZINC000026110812	556242917	/nfs/dbraw/zinc/24/29/17/556242917.db2.gz	YYFSJBMFDAIZCF-QGZVFWFLSA-N	1	0	476.470	3.527	40	0		JHABRO
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000019563360	556354211	/nfs/dbraw/zinc/35/42/11/556354211.db2.gz	JVJVDDFAHRILNF-RUZDIDTESA-N	1	0	491.640	3.678	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1Br	ZINC000030498619	556365804	/nfs/dbraw/zinc/36/58/04/556365804.db2.gz	XGUDFSQHBSLYED-UHFFFAOYSA-N	1	0	453.402	3.922	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OCCC(C)C)cc1	ZINC000019817781	556384193	/nfs/dbraw/zinc/38/41/93/556384193.db2.gz	YDWHIEPHOJDWTJ-BJKOFHAPSA-N	1	0	463.578	3.876	40	0		JHABRO
O=C(c1ccc(F)cc1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1	ZINC000225474966	560043058	/nfs/dbraw/zinc/04/30/58/560043058.db2.gz	OGBQBUULVRHYNY-UHFFFAOYSA-N	1	0	451.567	3.964	40	0	biogenic,in-vitro	JHABRO
COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC2CCCCC2)n(C)n1	ZINC000012602016	560091310	/nfs/dbraw/zinc/09/13/10/560091310.db2.gz	NSVPZGBIUNTPOM-DWLFOUALSA-N	1	0	451.615	3.905	40	0	biogenic,in-vitro	JHABRO
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000101342877	569793659	/nfs/dbraw/zinc/79/36/59/569793659.db2.gz	MIZHYXVCKPFOEU-UVLLPENVSA-N	1	0	460.292	3.564	40	0		JHABRO
O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000101343308	569793729	/nfs/dbraw/zinc/79/37/29/569793729.db2.gz	NVXIQRPWPCLIEH-HJJDGDTKSA-N	1	0	457.917	3.924	40	0		JHABRO
CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1	ZINC000038515305	569802358	/nfs/dbraw/zinc/80/23/58/569802358.db2.gz	MTMDXAIUENDNDL-LPOZWGFCSA-N	1	0	469.548	3.574	40	0		JHABRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507581	569835462	/nfs/dbraw/zinc/83/54/62/569835462.db2.gz	AYRAODBRFZDFIE-QUIZSENMSA-N	1	0	451.526	3.685	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218216835	569883028	/nfs/dbraw/zinc/88/30/28/569883028.db2.gz	NYGLKNUWDMPYNP-LVCYWYKZSA-N	1	0	481.412	3.611	40	0		JHABRO
COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1	ZINC000223293155	569906448	/nfs/dbraw/zinc/90/64/48/569906448.db2.gz	GVHHZYDEMXZMSH-YADHBBJMSA-N	1	0	450.564	3.662	40	0		JHABRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223531320	569914817	/nfs/dbraw/zinc/91/48/17/569914817.db2.gz	HEORITONQDSXDH-UIOOFZCWSA-N	1	0	490.677	3.790	40	0		JHABRO
COc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(=O)(=O)c2ccccc2)cc1	ZINC000224593974	569949894	/nfs/dbraw/zinc/94/98/94/569949894.db2.gz	AFTAQDUGUBGGJC-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C(F)(F)F)c1	ZINC000224654269	569952348	/nfs/dbraw/zinc/95/23/48/569952348.db2.gz	IKPKNYRBJLMNAY-UHFFFAOYSA-N	1	0	483.556	3.774	40	0		JHABRO
Cc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224654757	569952359	/nfs/dbraw/zinc/95/23/59/569952359.db2.gz	NHTBCABKPYJRLS-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000224774774	569957055	/nfs/dbraw/zinc/95/70/55/569957055.db2.gz	UTBXPUMQUCGOOB-AREMUKBSSA-N	1	0	491.613	3.555	40	0		JHABRO
Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl	ZINC000224815284	569958882	/nfs/dbraw/zinc/95/88/82/569958882.db2.gz	RZCQIZGJMHCHKK-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	ZINC000224834955	569959691	/nfs/dbraw/zinc/95/96/91/569959691.db2.gz	XYGFGDCKAXZBHY-UHFFFAOYSA-N	1	0	487.641	3.670	40	0		JHABRO
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000224851746	569960324	/nfs/dbraw/zinc/96/03/24/569960324.db2.gz	BRNNMZRHFIHVGS-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1)Nc1ccccc1	ZINC000225498865	570000076	/nfs/dbraw/zinc/00/00/76/570000076.db2.gz	MERDLFDNHWIZNT-RPWUZVMVSA-N	1	0	454.559	3.879	40	0		JHABRO
O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1)Nc1ccccc1	ZINC000225498937	570000111	/nfs/dbraw/zinc/00/01/11/570000111.db2.gz	MERDLFDNHWIZNT-DNQXCXABSA-N	1	0	454.559	3.879	40	0		JHABRO
Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000225700066	570015971	/nfs/dbraw/zinc/01/59/71/570015971.db2.gz	MQWBTESHAYELDG-UHFFFAOYSA-N	1	0	457.640	3.875	40	0		JHABRO
O=c1sc2cc(S(=O)(=O)NCCC[NH+]3CCCC3)ccc2n1Cc1ccc(Cl)cc1	ZINC000225788986	570021720	/nfs/dbraw/zinc/02/17/20/570021720.db2.gz	RYPINCPCIAHHSI-UHFFFAOYSA-N	1	0	466.028	3.529	40	0		JHABRO
COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)CCN2C)cc1	ZINC000257200855	570108025	/nfs/dbraw/zinc/10/80/25/570108025.db2.gz	AFCVJVHZDPBION-DEOSSOPVSA-N	1	0	467.585	3.521	40	0		JHABRO
C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)O3)CC1	ZINC000257201470	570108217	/nfs/dbraw/zinc/10/82/17/570108217.db2.gz	AHVHNSCTUFLNKV-AREMUKBSSA-N	1	0	451.542	3.708	40	0		JHABRO
CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1	ZINC000257207111	570110040	/nfs/dbraw/zinc/11/00/40/570110040.db2.gz	BGJQPZVXZHILDY-QFIPXVFZSA-N	1	0	489.624	3.772	40	0		JHABRO
COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)CC1	ZINC000257207362	570110202	/nfs/dbraw/zinc/11/02/02/570110202.db2.gz	BHKIMTVZNLRKFK-UHFFFAOYSA-N	1	0	495.620	3.684	40	0		JHABRO
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1	ZINC000257208478	570110503	/nfs/dbraw/zinc/11/05/03/570110503.db2.gz	BMIKHKVZDGHUFO-LUKWVAJMSA-N	1	0	460.546	3.740	40	0		JHABRO
COCC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(Cc3ccc(-c4cc(F)ccc4OC)cc3)CCCO2)C1	ZINC000257209727	570110963	/nfs/dbraw/zinc/11/09/63/570110963.db2.gz	BRRCXZCYDYWTIS-IDISGSTGSA-N	1	0	470.585	3.678	40	0		JHABRO
COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409054700	570111290	/nfs/dbraw/zinc/11/12/90/570111290.db2.gz	BBLYAFJAVKIZRR-VNGKGULCSA-O	1	0	493.381	3.782	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1	ZINC000409055992	570111685	/nfs/dbraw/zinc/11/16/85/570111685.db2.gz	QPTKFFZGTIQIOM-CLJLJLNGSA-O	1	0	455.582	3.857	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409061642	570114542	/nfs/dbraw/zinc/11/45/42/570114542.db2.gz	YXILEZUITDJLDZ-FTJBHMTQSA-O	1	0	473.572	3.996	40	0		JHABRO
CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)CC1	ZINC000257224062	570115308	/nfs/dbraw/zinc/11/53/08/570115308.db2.gz	FAEAYKITSJDDIN-QHCPKHFHSA-N	1	0	452.574	3.822	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409063656	570115605	/nfs/dbraw/zinc/11/56/05/570115605.db2.gz	ASXHYLCKMGUOMS-DQEYMECFSA-O	1	0	459.545	3.688	40	0		JHABRO
CN1C(=O)C2(C[C@H]1Cc1ccccc1)CC[NH+](Cc1ccc(C(C)(C)C)cc1OCC(N)=O)CC2	ZINC000257254579	570124477	/nfs/dbraw/zinc/12/44/77/570124477.db2.gz	KDSXNNNOCWCIGW-XMMPIXPASA-N	1	0	477.649	3.904	40	0		JHABRO
COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1	ZINC000257284478	570133918	/nfs/dbraw/zinc/13/39/18/570133918.db2.gz	PCWAACRRHHODGE-SXOMAYOGSA-N	1	0	471.601	3.629	40	0		JHABRO
Cc1cc(C)cc(C2(C(=O)N3CC[C@@](O)(C[N@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1	ZINC000257284819	570134094	/nfs/dbraw/zinc/13/40/94/570134094.db2.gz	PELNLLDHKCJMAK-AREMUKBSSA-N	1	0	454.586	3.586	40	0		JHABRO
CN(C)c1cc([C@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)ccn1	ZINC000257301169	570138771	/nfs/dbraw/zinc/13/87/71/570138771.db2.gz	RXGUPORXGXUQNV-QFIPXVFZSA-N	1	0	466.601	3.864	40	0		JHABRO
Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccnc(N5CC[NH+](C)CC5)c4)C3)n2)c1	ZINC000257313389	570142574	/nfs/dbraw/zinc/14/25/74/570142574.db2.gz	USEJYBHIRIOXAM-JOCHJYFZSA-N	1	0	472.593	3.744	40	0		JHABRO
COc1ccc(Oc2nccnc2C2CCN(C(=O)[C@H]3COCCN3C3CCCC3)CC2)cc1	ZINC000257316104	570143396	/nfs/dbraw/zinc/14/33/96/570143396.db2.gz	VEDIUCVRZSMXLT-HSZRJFAPSA-N	1	0	466.582	3.627	40	0		JHABRO
CN(C)CC(=O)Nc1cc(-c2c[nH]nc2[C@H]2CCCC[N@@H+]2CCOCc2ccccc2)ccn1	ZINC000257332602	570148289	/nfs/dbraw/zinc/14/82/89/570148289.db2.gz	XXZJUWLRBKUQNL-HSZRJFAPSA-N	1	0	462.598	3.716	40	0		JHABRO
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000260886162	570161544	/nfs/dbraw/zinc/16/15/44/570161544.db2.gz	GCQAOMJRTMBXGB-GOSISDBHSA-N	1	0	464.031	3.715	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccnc2)n1	ZINC000329065357	570183554	/nfs/dbraw/zinc/18/35/54/570183554.db2.gz	XQNRFABWTUPQHE-UHFFFAOYSA-N	1	0	481.320	3.881	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000001374240	194108095	/nfs/dbraw/zinc/10/80/95/194108095.db2.gz	JEFATOXPUKIHFU-OAQYLSRUSA-N	1	0	480.594	3.601	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O	ZINC000001375322	194109894	/nfs/dbraw/zinc/10/98/94/194109894.db2.gz	HHRTZTLTTXTNNQ-JOCHJYFZSA-N	1	0	494.621	3.910	40	0		JHABRO
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(Cl)cc1	ZINC000012709946	195094365	/nfs/dbraw/zinc/09/43/65/195094365.db2.gz	QPVKKIYMFDOGHP-UHFFFAOYSA-N	1	0	470.957	3.939	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3OC)cc2c1	ZINC000012708295	195093597	/nfs/dbraw/zinc/09/35/97/195093597.db2.gz	VHQNGVRLKBDYNJ-UHFFFAOYSA-N	1	0	452.555	3.921	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1cccc(C)c1	ZINC000020801568	195227265	/nfs/dbraw/zinc/22/72/65/195227265.db2.gz	PWKUDDAUAZEOHO-SFTDATJTSA-N	1	0	488.510	3.542	40	0		JHABRO
COc1ccccc1[C@@H](CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[NH+]1CCCCC1	ZINC000059782649	195412199	/nfs/dbraw/zinc/41/21/99/195412199.db2.gz	JPLXCIWZSUYHRD-CBJLPSGESA-N	1	0	481.637	3.704	40	0		JHABRO
CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@H]12	ZINC000014943576	519419327	/nfs/dbraw/zinc/41/93/27/519419327.db2.gz	XBNNTUGQOATRFW-ZHBILRMLSA-N	1	0	486.399	3.984	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCc1ccccc1	ZINC000006192994	520596310	/nfs/dbraw/zinc/59/63/10/520596310.db2.gz	RRISEJARSZJSEU-UHFFFAOYSA-N	1	0	494.661	3.908	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000044875094	523783399	/nfs/dbraw/zinc/78/33/99/523783399.db2.gz	SZNYADXXZWGBTK-HSZRJFAPSA-N	1	0	461.603	3.673	40	0		JHABRO
COc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000013674868	524528012	/nfs/dbraw/zinc/52/80/12/524528012.db2.gz	FIAVJQPSUUEMKA-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21c2ccccc2N(C/C=C\c2ccccc2)C1=O	ZINC000012417426	524534971	/nfs/dbraw/zinc/53/49/71/524534971.db2.gz	MBDBZKCQRBCWCM-CPFMVGATSA-N	1	0	493.563	3.748	40	0		JHABRO
Cc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000044875472	524897960	/nfs/dbraw/zinc/89/79/60/524897960.db2.gz	LZVCRVMIIMTNPU-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(=O)N1CCCCCC1	ZINC000044871946	525066956	/nfs/dbraw/zinc/06/69/56/525066956.db2.gz	RQIYLOJWVNFHKI-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(Cl)c1	ZINC000044874115	525149544	/nfs/dbraw/zinc/14/95/44/525149544.db2.gz	VODHEWQODSNWID-UHFFFAOYSA-N	1	0	467.994	3.547	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1Cl	ZINC000044871544	525149972	/nfs/dbraw/zinc/14/99/72/525149972.db2.gz	YVYAWZHBZOGLJO-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2ccccc21	ZINC000044857319	525150898	/nfs/dbraw/zinc/15/08/98/525150898.db2.gz	WSWCWGXUCIKPLN-UHFFFAOYSA-N	1	0	451.592	3.518	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1	ZINC000044873202	525153623	/nfs/dbraw/zinc/15/36/23/525153623.db2.gz	HQFVMQFJZNKYFM-UHFFFAOYSA-N	1	0	464.031	3.798	40	0		JHABRO
Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044873839	525757019	/nfs/dbraw/zinc/75/70/19/525757019.db2.gz	CESPYRROAVTBNK-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccc(Cl)cc1	ZINC000016228219	526016425	/nfs/dbraw/zinc/01/64/25/526016425.db2.gz	VUJYRBYIEYPPRE-UHFFFAOYSA-N	1	0	460.983	3.907	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000016506505	526657171	/nfs/dbraw/zinc/65/71/71/526657171.db2.gz	GGTFCUXXJNPSNQ-UHFFFAOYSA-N	1	0	455.624	3.777	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000044857227	526704801	/nfs/dbraw/zinc/70/48/01/526704801.db2.gz	XXZFXIYWWQWQFR-UHFFFAOYSA-N	1	0	463.603	3.794	40	0		JHABRO
COc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(C)cc3C)c(=O)[nH]c2cc1OC	ZINC000000896128	553832595	/nfs/dbraw/zinc/83/25/95/553832595.db2.gz	BKANDSMXJHRCFH-UHFFFAOYSA-N	1	0	468.623	3.923	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000013498554	555422105	/nfs/dbraw/zinc/42/21/05/555422105.db2.gz	MAOKXZBXUPXDCT-HSZRJFAPSA-N	1	0	494.621	3.847	40	0		JHABRO
Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1	ZINC000013500245	555438202	/nfs/dbraw/zinc/43/82/02/555438202.db2.gz	FQPLZEAGPJGOKR-RBBKRZOGSA-N	1	0	452.603	3.956	40	0		JHABRO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000013510319	555482266	/nfs/dbraw/zinc/48/22/66/555482266.db2.gz	STSCGJBSYCJODA-UHFFFAOYSA-N	1	0	476.042	3.522	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccccc1	ZINC000013646882	555551159	/nfs/dbraw/zinc/55/11/59/555551159.db2.gz	XHIGMMJCAVVBRW-UHFFFAOYSA-N	1	0	473.639	3.519	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccccc2C)cc1	ZINC000013670159	555560547	/nfs/dbraw/zinc/56/05/47/555560547.db2.gz	BPSOEEGXFROMFL-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
CCN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1	ZINC000013670167	555560734	/nfs/dbraw/zinc/56/07/34/555560734.db2.gz	ZTVLUMXVDJEQAB-UHFFFAOYSA-N	1	0	461.653	3.839	40	0		JHABRO
C[C@H]1[NH2+][C@@]2(c3ccccc3N(C/C=C\c3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000009972138	555571363	/nfs/dbraw/zinc/57/13/63/555571363.db2.gz	ZYXGJLLWVDKLSV-IIWDRABRSA-N	1	0	463.537	3.739	40	0		JHABRO
C[C@H]1[NH2+][C@@]2(c3ccccc3N(C/C=C\c3ccccc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	ZINC000009972121	555571414	/nfs/dbraw/zinc/57/14/14/555571414.db2.gz	OURVWVSOGZDWRJ-XMFGIEJLSA-N	1	0	477.564	3.735	40	0		JHABRO
C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(COc3ccc(Cl)cc3Br)n1)C2	ZINC000013959958	555663030	/nfs/dbraw/zinc/66/30/30/555663030.db2.gz	AQXOXHLBJJWZPC-GOOCMWNKSA-N	1	0	453.768	3.691	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cc(Cl)ccc2C)cc1	ZINC000010450061	555716484	/nfs/dbraw/zinc/71/64/84/555716484.db2.gz	TZCMPQBJSMZGHF-UHFFFAOYSA-N	1	0	464.031	3.754	40	0		JHABRO
COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OCc1ccc(F)cc1	ZINC000022109332	555876272	/nfs/dbraw/zinc/87/62/72/555876272.db2.gz	WXNRVPNYHRWQDD-UHFFFAOYSA-N	1	0	451.955	3.862	40	0		JHABRO
COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022929390	555981590	/nfs/dbraw/zinc/98/15/90/555981590.db2.gz	CARNRNMYCTYGAG-RUZDIDTESA-N	1	0	480.588	3.527	40	0		JHABRO
COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022929491	555981622	/nfs/dbraw/zinc/98/16/22/555981622.db2.gz	KDQBJOPLHMMGGF-RUZDIDTESA-N	1	0	464.589	3.909	40	0		JHABRO
COc1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022929991	555983029	/nfs/dbraw/zinc/98/30/29/555983029.db2.gz	SMFUVQRSYHPECJ-AREMUKBSSA-N	1	0	476.625	3.583	40	0		JHABRO
Cc1cc(C[C@H](O)C[NH+]2CCN(C[C@@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl	ZINC000027530960	556291393	/nfs/dbraw/zinc/29/13/93/556291393.db2.gz	ZMUXPASZAVFSHP-LEWJYISDSA-N	1	0	467.437	3.571	40	0		JHABRO
Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c12	ZINC000019236404	556337056	/nfs/dbraw/zinc/33/70/56/556337056.db2.gz	QNKVBXWFPIRMGS-HSZRJFAPSA-N	1	0	463.630	3.618	40	0		JHABRO
COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCN(C(C)=O)CC4)C=C3C)[nH]c2n1	ZINC000072320897	560077800	/nfs/dbraw/zinc/07/78/00/560077800.db2.gz	CFKMVUCGFOVQNH-ONTIZHBOSA-N	1	0	453.631	3.964	40	0	biogenic,in-vitro	JHABRO
CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1	ZINC000033936992	569638239	/nfs/dbraw/zinc/63/82/39/569638239.db2.gz	NEUXMWIDNOCFFC-ISKFKSNPSA-N	1	0	480.613	3.988	40	0		JHABRO
CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1	ZINC000033937393	569639148	/nfs/dbraw/zinc/63/91/48/569639148.db2.gz	SMNHLSIXSGXQSP-IRLDBZIGSA-N	1	0	494.596	3.708	40	0		JHABRO
COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000039772318	569811910	/nfs/dbraw/zinc/81/19/10/569811910.db2.gz	XLRDZIVGXVCPDC-UHFFFAOYSA-N	1	0	489.613	3.860	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000044871838	569839555	/nfs/dbraw/zinc/83/95/55/569839555.db2.gz	BWPGIFYPYJLZQB-AREMUKBSSA-N	1	0	491.613	3.555	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C(=O)N1CCCCC1	ZINC000044874462	569839653	/nfs/dbraw/zinc/83/96/53/569839653.db2.gz	XESVZXMWOLFHDG-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218228645	569883057	/nfs/dbraw/zinc/88/30/57/569883057.db2.gz	LUIVTCSJUVULPM-NNMXDRDESA-N	1	0	495.439	3.919	40	0		JHABRO
Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1I	ZINC000223213604	569903715	/nfs/dbraw/zinc/90/37/15/569903715.db2.gz	VCWZTFYHHMFWOI-ZWKOTPCHSA-N	1	0	483.423	3.555	40	0		JHABRO
COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1	ZINC000223293274	569906426	/nfs/dbraw/zinc/90/64/26/569906426.db2.gz	GVHHZYDEMXZMSH-VXKWHMMOSA-N	1	0	450.564	3.662	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000224510055	569946781	/nfs/dbraw/zinc/94/67/81/569946781.db2.gz	NNYCGTPHVJZFFB-XMMPIXPASA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	ZINC000224511476	569946798	/nfs/dbraw/zinc/94/67/98/569946798.db2.gz	ZTODCSCGVADDKI-JOCHJYFZSA-N	1	0	482.021	3.936	40	0		JHABRO
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224594505	569949920	/nfs/dbraw/zinc/94/99/20/569949920.db2.gz	XWABLHLRVATQAX-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)ccc1Cl	ZINC000224603640	569950279	/nfs/dbraw/zinc/95/02/79/569950279.db2.gz	UHBDKWGDBRJHNV-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000224632335	569951576	/nfs/dbraw/zinc/95/15/76/569951576.db2.gz	FWOJRUOCWAPUQF-NRFANRHFSA-N	1	0	494.057	3.805	40	0		JHABRO
Cc1c(Cl)cccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224654825	569952342	/nfs/dbraw/zinc/95/23/42/569952342.db2.gz	LZENSWLSVZWWMJ-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000224793942	569957886	/nfs/dbraw/zinc/95/78/86/569957886.db2.gz	HQDUHBYOZSEIBW-QGZVFWFLSA-N	1	0	483.556	3.772	40	0		JHABRO
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000224793893	569957929	/nfs/dbraw/zinc/95/79/29/569957929.db2.gz	HQDUHBYOZSEIBW-KRWDZBQOSA-N	1	0	483.556	3.772	40	0		JHABRO
CCc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1	ZINC000224797727	569958054	/nfs/dbraw/zinc/95/80/54/569958054.db2.gz	BLZAVXGCIGSLDC-UHFFFAOYSA-N	1	0	457.640	3.707	40	0		JHABRO
Cc1cccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000224841044	569959870	/nfs/dbraw/zinc/95/98/70/569959870.db2.gz	JKZNVSOYORCHQI-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
COc1cc(C[NH+]2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc(OC)c1OC	ZINC000225229299	569984285	/nfs/dbraw/zinc/98/42/85/569984285.db2.gz	SJRIPVPFFXWHDI-UHFFFAOYSA-N	1	0	457.615	3.945	40	0		JHABRO
CCCn1c2ccc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2sc1=O	ZINC000225734314	570018637	/nfs/dbraw/zinc/01/86/37/570018637.db2.gz	QPTHHWXANCOGOB-UHFFFAOYSA-N	1	0	461.609	3.747	40	0		JHABRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)cc2)CC1	ZINC000225751633	570020089	/nfs/dbraw/zinc/02/00/89/570020089.db2.gz	YCZQQPZAPJYDHM-UHFFFAOYSA-N	1	0	494.642	3.664	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000225904950	570026688	/nfs/dbraw/zinc/02/66/88/570026688.db2.gz	NQKRQUNZJHSLEF-SFHVURJKSA-N	1	0	450.004	3.749	40	0		JHABRO
Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1	ZINC000253616915	570105027	/nfs/dbraw/zinc/10/50/27/570105027.db2.gz	YFUFSDDIJJIUDO-RDPSFJRHSA-N	1	0	461.614	3.918	40	0		JHABRO
C[N@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000257209946	570111010	/nfs/dbraw/zinc/11/10/10/570111010.db2.gz	BSMYHOIHBSWAKQ-LUKWVAJMSA-N	1	0	459.562	3.559	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409056006	570111758	/nfs/dbraw/zinc/11/17/58/570111758.db2.gz	QPTKFFZGTIQIOM-UIOOFZCWSA-O	1	0	455.582	3.857	40	0		JHABRO
COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000409056619	570111963	/nfs/dbraw/zinc/11/19/63/570111963.db2.gz	NEZYHXIROKOUOY-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@H]2c2ccccc2)c1	ZINC000409060740	570113970	/nfs/dbraw/zinc/11/39/70/570113970.db2.gz	XJOCSRPCQRGZCY-NXTBZVMJSA-O	1	0	463.355	3.774	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409060793	570114074	/nfs/dbraw/zinc/11/40/74/570114074.db2.gz	YCRFLAFIHSKGKK-KAYWLYCHSA-O	1	0	485.608	3.866	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409061516	570114484	/nfs/dbraw/zinc/11/44/84/570114484.db2.gz	DXEKOPJJMIHWFO-QNFOJNSQSA-O	1	0	478.956	3.682	40	0		JHABRO
C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CCOC[C@@H](Cc3cccc4n[nH]cc43)C2)CC1	ZINC000257221754	570114534	/nfs/dbraw/zinc/11/45/34/570114534.db2.gz	DQJXJHLEIGUDFU-NRFANRHFSA-N	1	0	464.585	3.674	40	0		JHABRO
C[C@]1(O)CCN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1Oc1cccc(Cl)c1	ZINC000257244015	570121266	/nfs/dbraw/zinc/12/12/66/570121266.db2.gz	IJMKBXZSDUTJSH-ZCYQVOJMSA-N	1	0	458.986	3.859	40	0		JHABRO
O=C(c1ccccc1C[NH+]1CCCC1)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2	ZINC000257247347	570122371	/nfs/dbraw/zinc/12/23/71/570122371.db2.gz	IYOUUFYMYVDSRG-HFZDXXHNSA-N	1	0	453.533	3.839	40	0		JHABRO
C[N@@H+]1CC[C@@H](n2cc(C(=O)N3CCC(c4nccnc4Oc4ccc(F)cc4)CC3)cn2)C1	ZINC000257258949	570125967	/nfs/dbraw/zinc/12/59/67/570125967.db2.gz	KWEWVRGNUPHICA-HXUWFJFHSA-N	1	0	450.518	3.501	40	0		JHABRO
Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)n1	ZINC000257262602	570127154	/nfs/dbraw/zinc/12/71/54/570127154.db2.gz	LMAVIVDMASXJPO-OAQYLSRUSA-N	1	0	473.577	3.962	40	0		JHABRO
C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ncc2ccccc2c1=O	ZINC000257280980	570133012	/nfs/dbraw/zinc/13/30/12/570133012.db2.gz	ONELFXZGVPENJH-XZZSEQHWSA-N	1	0	470.617	3.872	40	0		JHABRO
CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(CC(=O)N4CC(=O)Nc5ccccc54)C[C@H]3C[C@@H]21	ZINC000257281887	570133281	/nfs/dbraw/zinc/13/32/81/570133281.db2.gz	ORIZNRYUJPKNBC-DFTONYJCSA-N	1	0	461.562	3.611	40	0		JHABRO
CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1	ZINC000257297859	570137757	/nfs/dbraw/zinc/13/77/57/570137757.db2.gz	RJBQDSKJRWSGNX-NDEPHWFRSA-N	1	0	482.621	3.683	40	0		JHABRO
CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1	ZINC000257297858	570137817	/nfs/dbraw/zinc/13/78/17/570137817.db2.gz	RJBQDSKJRWSGNX-MUUNZHRXSA-N	1	0	482.621	3.683	40	0		JHABRO
COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@@H](c3ccccc3)[C@H]3[C@@H]2CCCCC[N@@H+]3C)c1	ZINC000257304718	570139701	/nfs/dbraw/zinc/13/97/01/570139701.db2.gz	SMVSZHJETRJUCJ-LNBJVWSJSA-N	1	0	464.610	3.935	40	0		JHABRO
Cn1ccnc1COc1ccc(C[N@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1	ZINC000257312442	570142302	/nfs/dbraw/zinc/14/23/02/570142302.db2.gz	UNYQMKYFSFBYRT-SFHVURJKSA-N	1	0	473.499	3.861	40	0		JHABRO
Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccnc(N5CC[NH+](C)CC5)c4)C3)n2)c1	ZINC000257313390	570142587	/nfs/dbraw/zinc/14/25/87/570142587.db2.gz	USEJYBHIRIOXAM-QFIPXVFZSA-N	1	0	472.593	3.744	40	0		JHABRO
Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)C3(Cc4ccc(F)cc4)CC[NH+](C)CC3)C2)n1	ZINC000257316021	570143371	/nfs/dbraw/zinc/14/33/71/570143371.db2.gz	VDUCKSNKFLASGG-SANMLTNESA-N	1	0	467.633	3.825	40	0		JHABRO
CO[C@@]1(COc2cccc(Cl)c2)COCC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1	ZINC000257325840	570146308	/nfs/dbraw/zinc/14/63/08/570146308.db2.gz	WUQLQHPAMIKZAA-RUZDIDTESA-N	1	0	471.985	3.949	40	0		JHABRO
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccccc1)C[N@@H+]2CC(=O)N1CC(=O)Nc2ccccc21	ZINC000257335255	570149226	/nfs/dbraw/zinc/14/92/26/570149226.db2.gz	YJIQBSFWQRYMLZ-FUDKSRODSA-N	1	0	490.604	3.697	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329033733	570182485	/nfs/dbraw/zinc/18/24/85/570182485.db2.gz	QVKFUMROQNDIEI-UHFFFAOYSA-N	1	0	467.879	3.962	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c1	ZINC000408571409	570204760	/nfs/dbraw/zinc/20/47/60/570204760.db2.gz	ASLXFXAVMRHJHS-KPKJPENVSA-N	1	0	480.634	3.875	40	0		JHABRO
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)c1	ZINC000408571784	570204807	/nfs/dbraw/zinc/20/48/07/570204807.db2.gz	FYJUHECTVYPQSL-KRWDZBQOSA-N	1	0	484.622	3.529	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1	ZINC000001374244	194108315	/nfs/dbraw/zinc/10/83/15/194108315.db2.gz	NDPMTIUUVKDGGS-JOCHJYFZSA-N	1	0	466.586	3.672	40	0		JHABRO
O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000008995138	194500149	/nfs/dbraw/zinc/50/01/49/194500149.db2.gz	BALSSSKUZWURQG-DELVEFKNSA-N	1	0	498.489	3.614	40	0		JHABRO
COc1ccccc1NC(=O)N(CCC[NH+](C)C)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O	ZINC000012709035	195094078	/nfs/dbraw/zinc/09/40/78/195094078.db2.gz	KBJNOJJHRHHOGN-UHFFFAOYSA-N	1	0	468.554	3.540	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCc1ccco1	ZINC000006192981	520596978	/nfs/dbraw/zinc/59/69/78/520596978.db2.gz	YBOWVSVMGPLSJZ-UHFFFAOYSA-N	1	0	456.612	3.738	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000006193220	520622351	/nfs/dbraw/zinc/62/23/51/520622351.db2.gz	STRJXPYLGUZMFO-UHFFFAOYSA-N	1	0	480.634	3.865	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000044872572	523783325	/nfs/dbraw/zinc/78/33/25/523783325.db2.gz	MCGDYUDDEORSSY-JOCHJYFZSA-N	1	0	464.031	3.797	40	0		JHABRO
COc1ccccc1CNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN(C)c2ccccc2)on1	ZINC000012482679	524465600	/nfs/dbraw/zinc/46/56/00/524465600.db2.gz	IRBNRBASEVNLIT-UNMCSNQZSA-N	1	0	462.594	3.794	40	0	biogenic,in-vitro	JHABRO
Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NCc2cncn2C)C3)no1	ZINC000049171942	524923724	/nfs/dbraw/zinc/92/37/24/524923724.db2.gz	GZDNDNKATDOVJS-GOTSBHOMSA-N	1	0	460.582	3.637	40	0	biogenic,in-vitro	JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Br	ZINC000044873871	525149406	/nfs/dbraw/zinc/14/94/06/525149406.db2.gz	BVQHOXNYYUOCLK-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)Nc1ccccc1	ZINC000012482865	527124929	/nfs/dbraw/zinc/12/49/29/527124929.db2.gz	ZYKNYPUSXKDFMI-GOTSBHOMSA-N	1	0	473.621	3.794	40	0	biogenic,in-vitro	JHABRO
COc1cc2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC	ZINC000006198444	554519436	/nfs/dbraw/zinc/51/94/36/554519436.db2.gz	AMFRCCHAJFWCMR-UHFFFAOYSA-N	1	0	472.586	3.835	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1	ZINC000013498457	555420614	/nfs/dbraw/zinc/42/06/14/555420614.db2.gz	HDUKCNXPMQGRBC-DEOSSOPVSA-N	1	0	480.613	3.782	40	0		JHABRO
COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1	ZINC000013499110	555427956	/nfs/dbraw/zinc/42/79/56/555427956.db2.gz	SPOKULDTBNIVGL-HSZRJFAPSA-N	1	0	452.603	3.920	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)c(C)c1	ZINC000013669685	555559980	/nfs/dbraw/zinc/55/99/80/555559980.db2.gz	BGGRHYCMTGRGMG-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
CS(=O)(=O)N(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1	ZINC000010450182	555716736	/nfs/dbraw/zinc/71/67/36/555716736.db2.gz	VFKVWCHUYGSEDN-UHFFFAOYSA-N	1	0	450.004	3.522	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000010450118	555716768	/nfs/dbraw/zinc/71/67/68/555716768.db2.gz	WIVIPEVFJWSRSA-UHFFFAOYSA-N	1	0	480.030	3.536	40	0		JHABRO
C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000010540702	555724329	/nfs/dbraw/zinc/72/43/29/555724329.db2.gz	OYDZMEBLCWRBGR-OAQYLSRUSA-N	1	0	473.639	3.872	40	0		JHABRO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc2c(c1)OCCO2	ZINC000014277186	555785424	/nfs/dbraw/zinc/78/54/24/555785424.db2.gz	MVHSRCZPOCCFFM-UHFFFAOYSA-N	1	0	488.613	3.907	40	0		JHABRO
COc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1	ZINC000022108427	555875257	/nfs/dbraw/zinc/87/52/57/555875257.db2.gz	BEGYHYMLVWORMA-BCHFMIIMSA-N	1	0	459.550	3.770	40	0		JHABRO
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCc3ccc(OC)c(OC)c3)o2)c1	ZINC000022108512	555875658	/nfs/dbraw/zinc/87/56/58/555875658.db2.gz	CRWHTASLCOVYLT-UHFFFAOYSA-N	1	0	453.491	3.869	40	0		JHABRO
COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCc1ccccc1	ZINC000022109153	555876304	/nfs/dbraw/zinc/87/63/04/555876304.db2.gz	CSIMFTRHUNQZJM-UHFFFAOYSA-N	1	0	478.416	3.832	40	0		JHABRO
COc1cc2c(cc1OC)C[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]31)[C@@H](C)C2	ZINC000016043257	556122585	/nfs/dbraw/zinc/12/25/85/556122585.db2.gz	HEAXKDZPAXOEMH-MZJRBBBZSA-N	1	0	455.595	3.735	40	0		JHABRO
O[C@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000026780660	556262105	/nfs/dbraw/zinc/26/21/05/556262105.db2.gz	NRJNEBLIYDABAL-FQEVSTJZSA-N	1	0	469.807	3.681	40	0		JHABRO
O[C@@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000026780658	556262154	/nfs/dbraw/zinc/26/21/54/556262154.db2.gz	NRJNEBLIYDABAL-HXUWFJFHSA-N	1	0	469.807	3.681	40	0		JHABRO
O=C(c1cccc(F)c1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1	ZINC000225474907	560043024	/nfs/dbraw/zinc/04/30/24/560043024.db2.gz	YYRZSPGZWDPZOW-UHFFFAOYSA-N	1	0	451.567	3.964	40	0	biogenic,in-vitro	JHABRO
C[C@H]1CC[N@@H+]2C[C@]34C[C@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]12C(=O)N4C	ZINC000037538575	560079047	/nfs/dbraw/zinc/07/90/47/560079047.db2.gz	XNXXZRQPTAQILV-CMOMLHMOSA-N	1	0	477.605	3.681	40	0	biogenic,in-vitro	JHABRO
CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1Br	ZINC000035131639	569675566	/nfs/dbraw/zinc/67/55/66/569675566.db2.gz	LVQVUUMIPLWDOI-UHFFFAOYSA-N	1	0	477.428	3.726	40	0		JHABRO
CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@H+](C)Cc2ccccc2)cc1	ZINC000067870702	569691051	/nfs/dbraw/zinc/69/10/51/569691051.db2.gz	PCIPILVDGFNFHI-WRALFONMSA-N	1	0	451.684	3.881	40	0	biogenic,in-vitro	JHABRO
O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H]1CCC[N@@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O	ZINC000100178207	569754803	/nfs/dbraw/zinc/75/48/03/569754803.db2.gz	JXYUNDORNGMXEL-CPBHOCDRSA-N	1	0	477.564	3.708	40	0		JHABRO
CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@@H]12	ZINC000100178221	569754834	/nfs/dbraw/zinc/75/48/34/569754834.db2.gz	XBNNTUGQOATRFW-QNGCPFJASA-N	1	0	486.399	3.984	40	0		JHABRO
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000039748525	569811184	/nfs/dbraw/zinc/81/11/84/569811184.db2.gz	MNBDFFIXVVJZRQ-UHFFFAOYSA-N	1	0	459.587	3.851	40	0		JHABRO
CC(C)(C)N1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	ZINC000104150693	569842010	/nfs/dbraw/zinc/84/20/10/569842010.db2.gz	YQDIDOVHOJBEOF-VSCPTIONSA-N	1	0	476.964	3.583	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1	ZINC000216468919	569878985	/nfs/dbraw/zinc/87/89/85/569878985.db2.gz	NRPMQUNBGZGEHZ-UHFFFAOYSA-N	1	0	464.522	3.523	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218634511	569883499	/nfs/dbraw/zinc/88/34/99/569883499.db2.gz	FYRLKGWBFZAGTM-XQBPLPMBSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218634580	569883501	/nfs/dbraw/zinc/88/35/01/569883501.db2.gz	FYRLKGWBFZAGTM-NNMXDRDESA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223531268	569914814	/nfs/dbraw/zinc/91/48/14/569914814.db2.gz	HEORITONQDSXDH-IZZNHLLZSA-N	1	0	490.677	3.790	40	0		JHABRO
Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	ZINC000224402033	569943446	/nfs/dbraw/zinc/94/34/46/569943446.db2.gz	RLTRAOFRMITIMR-UHFFFAOYSA-N	1	0	499.677	3.577	40	0		JHABRO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000224508376	569946649	/nfs/dbraw/zinc/94/66/49/569946649.db2.gz	YNGJGZVOWSRQOP-KRWDZBQOSA-N	1	0	483.556	3.772	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000224511192	569946789	/nfs/dbraw/zinc/94/67/89/569946789.db2.gz	QRAKJEYYHBQDET-QFIPXVFZSA-N	1	0	494.057	3.805	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1	ZINC000224527498	569947222	/nfs/dbraw/zinc/94/72/22/569947222.db2.gz	BXCRXCUMNXMBOZ-UHFFFAOYSA-N	1	0	483.556	3.774	40	0		JHABRO
CC(C)(C)c1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1	ZINC000224611652	569950701	/nfs/dbraw/zinc/95/07/01/569950701.db2.gz	PKXWBQVVZPABNY-UHFFFAOYSA-N	1	0	457.640	3.662	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000224616950	569950924	/nfs/dbraw/zinc/95/09/24/569950924.db2.gz	KTQUSPLWDMYKAJ-UHFFFAOYSA-N	1	0	483.678	3.573	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224622590	569951137	/nfs/dbraw/zinc/95/11/37/569951137.db2.gz	VRAQLBKICYXWPF-SANMLTNESA-N	1	0	483.678	3.573	40	0		JHABRO
Cc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1C	ZINC000224633416	569951680	/nfs/dbraw/zinc/95/16/80/569951680.db2.gz	JZKLMWZVTOZUHE-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224661308	569952631	/nfs/dbraw/zinc/95/26/31/569952631.db2.gz	RDQKUVVLKFHKJH-SFHVURJKSA-N	1	0	464.031	3.797	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1Br	ZINC000224664479	569952769	/nfs/dbraw/zinc/95/27/69/569952769.db2.gz	GTKWQZFRPTWIKC-UHFFFAOYSA-N	1	0	453.402	3.922	40	0		JHABRO
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224665866	569952834	/nfs/dbraw/zinc/95/28/34/569952834.db2.gz	QKRYPGYURIHSRE-SFHVURJKSA-N	1	0	494.057	3.805	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224669484	569953051	/nfs/dbraw/zinc/95/30/51/569953051.db2.gz	QHVMGROWGMMKAO-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000224679619	569953390	/nfs/dbraw/zinc/95/33/90/569953390.db2.gz	VCTAGZGJKOQVNY-UHFFFAOYSA-N	1	0	469.651	3.531	40	0		JHABRO
O=C(COc1ccc(I)cc1)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224687526	569953624	/nfs/dbraw/zinc/95/36/24/569953624.db2.gz	KILZLYKMZZAJPS-UHFFFAOYSA-N	1	0	464.347	3.972	40	0		JHABRO
COc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224692824	569953771	/nfs/dbraw/zinc/95/37/71/569953771.db2.gz	HPBDOQMLKZHEBM-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
COc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1	ZINC000224760336	569956448	/nfs/dbraw/zinc/95/64/48/569956448.db2.gz	FIZYMAKFVJIRGL-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CCOc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1	ZINC000224797523	569958085	/nfs/dbraw/zinc/95/80/85/569958085.db2.gz	JWJQGWCPKVPVJP-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	ZINC000224799821	569958095	/nfs/dbraw/zinc/95/80/95/569958095.db2.gz	UTDYPMGCTBRTBA-HSZRJFAPSA-N	1	0	490.069	3.794	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000224832934	569959634	/nfs/dbraw/zinc/95/96/34/569959634.db2.gz	YQPKJFPTCZQNMJ-HSZRJFAPSA-N	1	0	461.603	3.673	40	0		JHABRO
CCn1cc(C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000230278586	570046264	/nfs/dbraw/zinc/04/62/64/570046264.db2.gz	HJDYTPQRSBDNJD-LEEZHDJYSA-N	1	0	475.589	3.785	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1	ZINC000409052684	570110415	/nfs/dbraw/zinc/11/04/15/570110415.db2.gz	HRXCOOOFRPFZNI-IZZNHLLZSA-O	1	0	471.581	3.558	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1	ZINC000409059586	570113383	/nfs/dbraw/zinc/11/33/83/570113383.db2.gz	SFORDMNDNDEOQY-UIOOFZCWSA-O	1	0	455.582	3.857	40	0		JHABRO
C[NH+](C)CC(=O)N1CCC[C@@](C)(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)C1	ZINC000257219173	570113840	/nfs/dbraw/zinc/11/38/40/570113840.db2.gz	DFWCOVHYNYHBBN-MUUNZHRXSA-N	1	0	462.638	3.569	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1	ZINC000409068163	570117311	/nfs/dbraw/zinc/11/73/11/570117311.db2.gz	KIUOZQSLRZTQRK-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000257239259	570120079	/nfs/dbraw/zinc/12/00/79/570120079.db2.gz	HOPHXIWVOWUBQS-AZGAKELHSA-N	1	0	461.606	3.815	40	0		JHABRO
C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1ncc2ccccc2c1=O	ZINC000257245754	570121702	/nfs/dbraw/zinc/12/17/02/570121702.db2.gz	IQYNMUNQWCEJRA-CPIYQPHESA-N	1	0	456.590	3.529	40	0		JHABRO
CC(=O)N[C@]12CN(CC(=O)Nc3ccccc3C(F)(F)F)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2	ZINC000257247728	570122464	/nfs/dbraw/zinc/12/24/64/570122464.db2.gz	JAEZAOKHAUSSOL-AGILITTLSA-N	1	0	474.527	3.527	40	0		JHABRO
C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1	ZINC000257269909	570129585	/nfs/dbraw/zinc/12/95/85/570129585.db2.gz	MRXSVKROEDQBET-XMMPIXPASA-N	1	0	460.977	3.623	40	0		JHABRO
COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1	ZINC000257284476	570133938	/nfs/dbraw/zinc/13/39/38/570133938.db2.gz	PCWAACRRHHODGE-RRPNLBNLSA-N	1	0	471.601	3.629	40	0		JHABRO
Cc1cc(C)cc(C2(C(=O)N3CC[C@](O)(C[N@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1	ZINC000257284820	570134076	/nfs/dbraw/zinc/13/40/76/570134076.db2.gz	PELNLLDHKCJMAK-SANMLTNESA-N	1	0	454.586	3.586	40	0		JHABRO
CCN(C(=O)c1ccc(-n2cccn2)nc1)[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257312209	570142096	/nfs/dbraw/zinc/14/20/96/570142096.db2.gz	UMWMCYQSYLQKIN-DEOSSOPVSA-N	1	0	459.594	3.943	40	0		JHABRO
CO[C@]1(COc2cccc(Cl)c2)COCC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1	ZINC000257325841	570146184	/nfs/dbraw/zinc/14/61/84/570146184.db2.gz	WUQLQHPAMIKZAA-VWLOTQADSA-N	1	0	471.985	3.949	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@H](Cc3ccc4ncccc4c3)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257344850	570151878	/nfs/dbraw/zinc/15/18/78/570151878.db2.gz	ZYWRMJOQFXILDC-JOCHJYFZSA-N	1	0	473.621	3.648	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000260801546	570158567	/nfs/dbraw/zinc/15/85/67/570158567.db2.gz	BUIXEBVCBNVJMB-ICSRJNTNSA-N	1	0	456.052	3.512	40	0		JHABRO
Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1C	ZINC000260885972	570161592	/nfs/dbraw/zinc/16/15/92/570161592.db2.gz	BSVMMHHRECAKSA-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)c1	ZINC000328963777	570179582	/nfs/dbraw/zinc/17/95/82/570179582.db2.gz	BQZULEAOKNMUKY-UHFFFAOYSA-N	1	0	475.515	3.870	40	0		JHABRO
Cc1cc(Br)cc(C)c1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1	ZINC000329003445	570181271	/nfs/dbraw/zinc/18/12/71/570181271.db2.gz	KNJHXDYMKRMALH-UHFFFAOYSA-N	1	0	455.404	3.869	40	0		JHABRO
COc1cc2c(cc1OC)C[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)[C@@H](C)C2	ZINC000012662639	195081525	/nfs/dbraw/zinc/08/15/25/195081525.db2.gz	HEAXKDZPAXOEMH-FXIGITPDSA-N	1	0	455.595	3.735	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccc(C)cc1	ZINC000020674553	195199343	/nfs/dbraw/zinc/19/93/43/195199343.db2.gz	UBHTVSSEGBNXJY-LEWJYISDSA-N	1	0	488.510	3.542	40	0		JHABRO
Brc1ccc(-c2nc3ccc(Br)cn3c2CN2CC[NH2+]CC2)cc1	ZINC000022464824	518207694	/nfs/dbraw/zinc/20/76/94/518207694.db2.gz	YWNPLYYUTJFBPI-UHFFFAOYSA-N	1	0	450.178	3.932	40	0		JHABRO
CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4c[nH]c5ccccc45)n3)ccn2)CC1	ZINC000049154966	519590861	/nfs/dbraw/zinc/59/08/61/519590861.db2.gz	XTLKIQFHWCYMAJ-QHCPKHFHSA-N	1	0	471.565	3.619	40	0	biogenic,in-vitro	JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1	ZINC000006193117	520619545	/nfs/dbraw/zinc/61/95/45/520619545.db2.gz	MOVNIZNOTZISPM-NRFANRHFSA-N	1	0	458.672	3.732	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)cc1	ZINC000013669999	521186032	/nfs/dbraw/zinc/18/60/32/521186032.db2.gz	VUYISCBTLBRSFG-UHFFFAOYSA-N	1	0	491.629	3.658	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000044872586	521850361	/nfs/dbraw/zinc/85/03/61/521850361.db2.gz	ZKPWJELMQBAIJY-QFIPXVFZSA-N	1	0	464.031	3.797	40	0		JHABRO
COc1cc2cc(CN(CCC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1OC	ZINC000006135713	523059856	/nfs/dbraw/zinc/05/98/56/523059856.db2.gz	MFQIZDNPKVCLIC-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006301426	524013316	/nfs/dbraw/zinc/01/33/16/524013316.db2.gz	IXWUGUPBECARFN-UHFFFAOYSA-N	1	0	466.651	3.982	40	0		JHABRO
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1	ZINC000006195354	525265394	/nfs/dbraw/zinc/26/53/94/525265394.db2.gz	ITVSXGJEQZHFTM-UHFFFAOYSA-N	1	0	452.580	3.634	40	0		JHABRO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000044874176	526077165	/nfs/dbraw/zinc/07/71/65/526077165.db2.gz	TVKFJWJMFCJGTF-GOSISDBHSA-N	1	0	464.031	3.797	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCc1ccccc1	ZINC000006193400	554517715	/nfs/dbraw/zinc/51/77/15/554517715.db2.gz	SPXQBCUIVXNNOQ-UHFFFAOYSA-N	1	0	480.634	3.518	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O	ZINC000013495010	555406839	/nfs/dbraw/zinc/40/68/39/555406839.db2.gz	OWBMWNMGTOIHFK-QHCPKHFHSA-N	1	0	492.555	3.679	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)cc1	ZINC000013647717	555551947	/nfs/dbraw/zinc/55/19/47/555551947.db2.gz	QYZULVWVJBWCLU-UHFFFAOYSA-N	1	0	461.603	3.568	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(C)c(C)c2)cc1	ZINC000013672968	555564620	/nfs/dbraw/zinc/56/46/20/555564620.db2.gz	LYTUNZXQURBLJT-UHFFFAOYSA-N	1	0	457.640	3.799	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(F)cc2)cc1	ZINC000013673986	555565527	/nfs/dbraw/zinc/56/55/27/555565527.db2.gz	KGCFZZNWJNXWCH-UHFFFAOYSA-N	1	0	491.629	3.802	40	0		JHABRO
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000013675377	555566663	/nfs/dbraw/zinc/56/66/63/555566663.db2.gz	PLQDVGBIGSSLMH-UHFFFAOYSA-N	1	0	450.004	3.528	40	0		JHABRO
COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000010111149	555622106	/nfs/dbraw/zinc/62/21/06/555622106.db2.gz	FHDYJMUSJSIYTP-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000010111380	555622808	/nfs/dbraw/zinc/62/28/08/555622808.db2.gz	DYGAIXJATMUTBS-UHFFFAOYSA-N	1	0	491.963	3.930	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cccc(C(F)(F)F)c2)cc1	ZINC000010450058	555716488	/nfs/dbraw/zinc/71/64/88/555716488.db2.gz	QUJVXJFVROAGFL-UHFFFAOYSA-N	1	0	483.556	3.811	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000010540360	555723966	/nfs/dbraw/zinc/72/39/66/555723966.db2.gz	RVSTYUVKBVEROB-UHFFFAOYSA-N	1	0	464.031	3.774	40	0		JHABRO
CCc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000010540431	555724013	/nfs/dbraw/zinc/72/40/13/555724013.db2.gz	SAKZXFUMMKGKKZ-UHFFFAOYSA-N	1	0	471.667	3.991	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2cccc(Cl)c2)cc1	ZINC000010540743	555724332	/nfs/dbraw/zinc/72/43/32/555724332.db2.gz	USAMVTAIUPJWJW-UHFFFAOYSA-N	1	0	494.057	3.782	40	0		JHABRO
COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NCc2ccccc2)n(C)n1	ZINC000015672393	555929380	/nfs/dbraw/zinc/92/93/80/555929380.db2.gz	FTMAOGIILCFVST-XJUOHMSHSA-N	1	0	459.594	3.773	40	0	biogenic,in-vitro	JHABRO
O=C1[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1	ZINC000012376441	555964179	/nfs/dbraw/zinc/96/41/79/555964179.db2.gz	JXYUNDORNGMXEL-VIDGLSEISA-N	1	0	477.564	3.708	40	0		JHABRO
O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022912801	555968452	/nfs/dbraw/zinc/96/84/52/555968452.db2.gz	AJWWGUUASYXBQU-MCSIRMTHSA-N	1	0	456.627	3.517	40	0		JHABRO
COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000737	556105260	/nfs/dbraw/zinc/10/52/60/556105260.db2.gz	UJPDBNVSNRGNTJ-XHBNAHBISA-N	1	0	479.964	3.705	40	0		JHABRO
CCC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019503415	556350331	/nfs/dbraw/zinc/35/03/31/556350331.db2.gz	QMNHLIRMYHJGDW-XMMPIXPASA-N	1	0	463.630	3.754	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000030556527	556367068	/nfs/dbraw/zinc/36/70/68/556367068.db2.gz	YGGRZPQTKBUOAY-UHFFFAOYSA-N	1	0	455.624	3.777	40	0		JHABRO
O=C(COc1ccccc1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1	ZINC000225475177	560043021	/nfs/dbraw/zinc/04/30/21/560043021.db2.gz	VLEVZAPFBFXRJG-UHFFFAOYSA-N	1	0	463.603	3.590	40	0	biogenic,in-vitro	JHABRO
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)CN(C)C(=O)C2)cc1	ZINC000096113446	560061354	/nfs/dbraw/zinc/06/13/54/560061354.db2.gz	YZTHYLXHCIFHQQ-IFMALSPDSA-N	1	0	458.002	3.772	40	0	biogenic,in-vitro	JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1	ZINC000008582537	562939741	/nfs/dbraw/zinc/93/97/41/562939741.db2.gz	CTNXYCIANBIMDK-HSZRJFAPSA-N	1	0	480.613	3.981	40	0		JHABRO
C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCC[NH+](C)C)cc3n21	ZINC000082158489	569708136	/nfs/dbraw/zinc/70/81/36/569708136.db2.gz	ZHMXXVNQAFCXKK-KRWDZBQOSA-N	1	0	458.566	3.890	40	0		JHABRO
CCOc1cc(C[NH2+]CCc2ccccc2)c(Br)c(Br)c1OCC(N)=O	ZINC000036612927	569778011	/nfs/dbraw/zinc/77/80/11/569778011.db2.gz	OSRYCWSNCNDHGQ-UHFFFAOYSA-N	1	0	486.204	3.807	40	0		JHABRO
Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1C	ZINC000044874158	569839700	/nfs/dbraw/zinc/83/97/00/569839700.db2.gz	HNUJPAGLQNARRJ-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1	ZINC000044874436	569839703	/nfs/dbraw/zinc/83/97/03/569839703.db2.gz	JYUJTMUSOABCEJ-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218670958	569883507	/nfs/dbraw/zinc/88/35/07/569883507.db2.gz	QKKZJRGUJBBEID-LVCYWYKZSA-N	1	0	454.951	3.641	40	0		JHABRO
COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1	ZINC000223293097	569906434	/nfs/dbraw/zinc/90/64/34/569906434.db2.gz	GVHHZYDEMXZMSH-FGZHOGPDSA-N	1	0	450.564	3.662	40	0		JHABRO
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)cc1	ZINC000224627452	569951386	/nfs/dbraw/zinc/95/13/86/569951386.db2.gz	FNXWVIPGAJWYRM-UHFFFAOYSA-N	1	0	487.691	3.721	40	0		JHABRO
CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224691259	569953726	/nfs/dbraw/zinc/95/37/26/569953726.db2.gz	QJXDFTMXSUWAFW-VWLOTQADSA-N	1	0	487.666	3.932	40	0		JHABRO
CCOc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224692977	569953772	/nfs/dbraw/zinc/95/37/72/569953772.db2.gz	KLOWEIUYEBGUPG-UHFFFAOYSA-N	1	0	487.666	3.934	40	0		JHABRO
CN(c1ccc(Cl)c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1)S(C)(=O)=O	ZINC000224694654	569953850	/nfs/dbraw/zinc/95/38/50/569953850.db2.gz	QCINVIHUYJTMBV-UHFFFAOYSA-N	1	0	450.004	3.652	40	0		JHABRO
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224700303	569954033	/nfs/dbraw/zinc/95/40/33/569954033.db2.gz	FTLFLPRISGROKM-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000224785874	569957491	/nfs/dbraw/zinc/95/74/91/569957491.db2.gz	CTSAQLOJNBBIDV-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000224785939	569957507	/nfs/dbraw/zinc/95/75/07/569957507.db2.gz	HCXKBHFORRSIAU-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)cc1	ZINC000224792002	569957815	/nfs/dbraw/zinc/95/78/15/569957815.db2.gz	JXQFMBUXXKDVHV-UHFFFAOYSA-N	1	0	487.691	3.721	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000224796493	569958005	/nfs/dbraw/zinc/95/80/05/569958005.db2.gz	VHDHZDFKXZEREA-JOCHJYFZSA-N	1	0	494.057	3.805	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1	ZINC000224842798	569960010	/nfs/dbraw/zinc/96/00/10/569960010.db2.gz	BJZFGXUWJYGSIH-UHFFFAOYSA-N	1	0	483.556	3.774	40	0		JHABRO
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1	ZINC000225387540	569994391	/nfs/dbraw/zinc/99/43/91/569994391.db2.gz	HDWDESUTQGJCCD-GOTSBHOMSA-N	1	0	490.614	3.816	40	0		JHABRO
O=c1sc2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)ccc2n1Cc1ccccc1	ZINC000225744808	570019287	/nfs/dbraw/zinc/01/92/87/570019287.db2.gz	SDZNJMDJAHCOEA-UHFFFAOYSA-N	1	0	459.637	3.656	40	0		JHABRO
C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](c4cccc(Cc5ccc(F)cc5)n4)C3)ccn2)CC1	ZINC000257204308	570109143	/nfs/dbraw/zinc/10/91/43/570109143.db2.gz	ATXXOIDIKBJEKU-HSZRJFAPSA-N	1	0	473.596	3.978	40	0		JHABRO
COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000409056616	570111966	/nfs/dbraw/zinc/11/19/66/570111966.db2.gz	NEZYHXIROKOUOY-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409057139	570112288	/nfs/dbraw/zinc/11/22/88/570112288.db2.gz	IUXNOHFELOGZBF-PUOSSFLQSA-O	1	0	472.565	3.843	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409057756	570112541	/nfs/dbraw/zinc/11/25/41/570112541.db2.gz	MCRGNSOEFSRBLA-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409060469	570113879	/nfs/dbraw/zinc/11/38/79/570113879.db2.gz	VSCIOIPZIQXJAO-MYPDDRRYSA-O	1	0	481.345	3.913	40	0		JHABRO
O=C(c1ccccc1OCCN1CCOCC1)N1CCC[C@H](Cc2ccc3cc[nH]c3n2)CC1	ZINC000257244691	570121431	/nfs/dbraw/zinc/12/14/31/570121431.db2.gz	IMJNNWONOKPOJV-NRFANRHFSA-N	1	0	462.594	3.759	40	0		JHABRO
O=C(CN1CC[C@@]2(CCC[N@@H+]2CCc2ccccc2)[C@@H](O)C1)Nc1nc2ccc(F)cc2s1	ZINC000257258039	570125691	/nfs/dbraw/zinc/12/56/91/570125691.db2.gz	KSDRPBUTNMWIQH-DHLKQENFSA-N	1	0	468.598	3.518	40	0		JHABRO
C[NH+](C)CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(C(=O)CCCc4cn[nH]c4)CC[C@@H]3O[C@H]21	ZINC000257263849	570127628	/nfs/dbraw/zinc/12/76/28/570127628.db2.gz	LRSSMRDXFFGZSN-PETUGJSASA-N	1	0	496.652	3.839	40	0		JHABRO
CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(=O)N4CC(=O)Nc5ccccc54)C[C@H]3C[C@H]21	ZINC000257281890	570133261	/nfs/dbraw/zinc/13/32/61/570133261.db2.gz	ORIZNRYUJPKNBC-WCVAZEIUSA-N	1	0	461.562	3.611	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257286684	570134651	/nfs/dbraw/zinc/13/46/51/570134651.db2.gz	PMOHQHAOFMPPSY-QFIPXVFZSA-N	1	0	473.621	3.648	40	0		JHABRO
CN(CC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12)C1CC[NH+](C)CC1	ZINC000257297955	570137782	/nfs/dbraw/zinc/13/77/82/570137782.db2.gz	RJMDTXWJFOQSFZ-HWBMXIPRSA-N	1	0	494.602	3.822	40	0		JHABRO
C[NH+](C)CCCNc1nc(Nc2ccc(I)cc2Cl)cc(C(F)(F)F)n1	ZINC000328987646	570180681	/nfs/dbraw/zinc/18/06/81/570180681.db2.gz	ICNSUOGYQBWGSU-UHFFFAOYSA-N	1	0	499.706	3.704	40	0		JHABRO
CCN(C(=O)c1ccc(-n2cccn2)nc1)[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257312210	570142146	/nfs/dbraw/zinc/14/21/46/570142146.db2.gz	UMWMCYQSYLQKIN-XMMPIXPASA-N	1	0	459.594	3.943	40	0		JHABRO
COCCN1C(=O)CO[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@@H]21	ZINC000257313660	570142567	/nfs/dbraw/zinc/14/25/67/570142567.db2.gz	UTOGUPKJSORWEC-UPVQGACJSA-N	1	0	458.986	3.757	40	0		JHABRO
COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)C[N@@H+]2Cc1cccc(Cl)c1	ZINC000257316602	570143574	/nfs/dbraw/zinc/14/35/74/570143574.db2.gz	VGGOJQXSGQTVOC-YPAWHYETSA-N	1	0	458.986	3.820	40	0		JHABRO
CCOc1ccc2nc(NC(=O)CN3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)sc2c1	ZINC000257317329	570143678	/nfs/dbraw/zinc/14/36/78/570143678.db2.gz	VJIJUEKSHKXIAG-REWPJTCUSA-N	1	0	459.543	3.677	40	0		JHABRO
CC(C)(C)c1ccc(CN2CC[C@@H]3[C@H](C2)CCCC[N@@H+]3CC2CCOCC2)c(OCC(N)=O)c1	ZINC000257332347	570148237	/nfs/dbraw/zinc/14/82/37/570148237.db2.gz	XWXMAFFCZQOIGA-WIOPSUGQSA-N	1	0	471.686	3.951	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257334165	570148858	/nfs/dbraw/zinc/14/88/58/570148858.db2.gz	YEUQVIUATLABLK-FQEVSTJZSA-N	1	0	462.594	3.846	40	0		JHABRO
C[C@H](C(=O)NCC[NH+]1CCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O	ZINC000030883708	291514402	/nfs/dbraw/zinc/51/44/02/291514402.db2.gz	LGZBVQKVXZUYSN-HFVUWPSASA-N	1	0	463.707	3.579	40	0	biogenic,in-vitro	JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(F)cc1	ZINC000001336037	194095162	/nfs/dbraw/zinc/09/51/62/194095162.db2.gz	SNVSBJGGKLQAGU-NRFANRHFSA-N	1	0	480.540	3.957	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)NC1CCCCC1	ZINC000012710776	195094853	/nfs/dbraw/zinc/09/48/53/195094853.db2.gz	HVUGLWFPHMBCQY-UHFFFAOYSA-N	1	0	456.587	3.833	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000044872567	521851224	/nfs/dbraw/zinc/85/12/24/521851224.db2.gz	MCGDYUDDEORSSY-QFIPXVFZSA-N	1	0	464.031	3.797	40	0		JHABRO
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000004237234	521932735	/nfs/dbraw/zinc/93/27/35/521932735.db2.gz	QJBMIXMUVDUPOA-AZUAARDMSA-N	1	0	481.593	3.524	40	0	biogenic,in-vitro	JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000020485527	523019805	/nfs/dbraw/zinc/01/98/05/523019805.db2.gz	GZNYFTCPZQCSSH-QFIPXVFZSA-N	1	0	470.079	3.653	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000044850206	523166878	/nfs/dbraw/zinc/16/68/78/523166878.db2.gz	FACFCTBJFJYRAS-JOCHJYFZSA-N	1	0	470.079	3.653	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000044872592	523783490	/nfs/dbraw/zinc/78/34/90/523783490.db2.gz	ZKPWJELMQBAIJY-JOCHJYFZSA-N	1	0	464.031	3.797	40	0		JHABRO
C[NH+](C)CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1	ZINC000013667943	524056497	/nfs/dbraw/zinc/05/64/97/524056497.db2.gz	SIOYXKJXCNVBON-UHFFFAOYSA-N	1	0	477.936	3.622	40	0		JHABRO
CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](CC)CC)C(=S)NC[C@H]3CCCO3)cc2c1	ZINC000006197693	524057926	/nfs/dbraw/zinc/05/79/26/524057926.db2.gz	XAZHKTHNPHHUCM-JOCHJYFZSA-N	1	0	458.672	3.678	40	0		JHABRO
COc1ccccc1N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccccc3)on2)CC1	ZINC000008623819	524547003	/nfs/dbraw/zinc/54/70/03/524547003.db2.gz	QJJDGZPLOYOAFV-GOTSBHOMSA-N	1	0	474.605	3.857	40	0	biogenic,in-vitro	JHABRO
CCOc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1	ZINC000000880687	553817534	/nfs/dbraw/zinc/81/75/34/553817534.db2.gz	RFCDMRMHURMKRW-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1	ZINC000001325200	553941797	/nfs/dbraw/zinc/94/17/97/553941797.db2.gz	DRLMYAJNPULDOL-IRLDBZIGSA-N	1	0	494.596	3.533	40	0		JHABRO
COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006321885	554531176	/nfs/dbraw/zinc/53/11/76/554531176.db2.gz	OQLDAWJMFMHJRC-UHFFFAOYSA-N	1	0	466.651	3.982	40	0		JHABRO
COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000009062697	554880168	/nfs/dbraw/zinc/88/01/68/554880168.db2.gz	NOAALVXOOMLCFL-UHFFFAOYSA-N	1	0	489.613	3.860	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1	ZINC000013498557	555422136	/nfs/dbraw/zinc/42/21/36/555422136.db2.gz	WUCUATGLCKIHOX-DEOSSOPVSA-N	1	0	480.613	3.918	40	0		JHABRO
COc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCC3)cc2c1	ZINC000013498654	555423433	/nfs/dbraw/zinc/42/34/33/555423433.db2.gz	KCFRSTSTGQIPAY-LADGPHEKSA-N	1	0	480.613	3.844	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(C)cc1	ZINC000013511722	555483482	/nfs/dbraw/zinc/48/34/82/555483482.db2.gz	BFMBKGQUMBUAQM-UHFFFAOYSA-N	1	0	464.566	3.984	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000013668504	555557416	/nfs/dbraw/zinc/55/74/16/555557416.db2.gz	ACMKRURIQACIQB-UHFFFAOYSA-N	1	0	480.030	3.536	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccc(SC)cc1	ZINC000013670812	555561727	/nfs/dbraw/zinc/56/17/27/555561727.db2.gz	LIAIZUGOYHUZLN-UHFFFAOYSA-N	1	0	491.679	3.605	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)cc1C	ZINC000010111127	555622125	/nfs/dbraw/zinc/62/21/25/555622125.db2.gz	UGIYISJNSLZRDR-UHFFFAOYSA-N	1	0	457.640	3.881	40	0		JHABRO
Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1	ZINC000020083552	555631346	/nfs/dbraw/zinc/63/13/46/555631346.db2.gz	YFUFSDDIJJIUDO-YKSBVNFPSA-N	1	0	461.614	3.506	40	0		JHABRO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1	ZINC000020110456	555646679	/nfs/dbraw/zinc/64/66/79/555646679.db2.gz	FJQYSSQYLKVBMA-ROUUACIJSA-N	1	0	488.069	3.505	40	0		JHABRO
O=C(COc1ccc(I)cc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000015140098	555880366	/nfs/dbraw/zinc/88/03/66/555880366.db2.gz	AOVADXOIURPEGL-UHFFFAOYSA-N	1	0	450.320	3.582	40	0		JHABRO
Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c12	ZINC000019236405	556337105	/nfs/dbraw/zinc/33/71/05/556337105.db2.gz	QNKVBXWFPIRMGS-QHCPKHFHSA-N	1	0	463.630	3.618	40	0		JHABRO
COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1	ZINC000019563796	556354497	/nfs/dbraw/zinc/35/44/97/556354497.db2.gz	VJQIHDOVOJSWLH-VWLOTQADSA-N	1	0	491.640	3.678	40	0		JHABRO
O=C1[C@H]2[C@H](Cc3ccccc3)[NH2+][C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000095346157	569722361	/nfs/dbraw/zinc/72/23/61/569722361.db2.gz	JGAFSLQGKQERLF-CMOCDZPBSA-N	1	0	462.347	3.906	40	0		JHABRO
O=C1[C@H]2[C@@H](Cc3ccccc3)[NH2+][C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000095346156	569722463	/nfs/dbraw/zinc/72/24/63/569722463.db2.gz	JGAFSLQGKQERLF-MLNNCEHLSA-N	1	0	462.347	3.906	40	0		JHABRO
O=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCN(c2cc[nH+]cc2)CC1	ZINC000096155014	569736586	/nfs/dbraw/zinc/73/65/86/569736586.db2.gz	NENMDSMVRMIRHP-UHFFFAOYSA-N	1	0	463.545	3.604	40	0		JHABRO
O=C(c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1)N1CCN(c2ccccc2)CC1	ZINC000096156177	569736810	/nfs/dbraw/zinc/73/68/10/569736810.db2.gz	FTRBGDAPDOAMSZ-QHCPKHFHSA-N	1	0	466.589	3.681	40	0		JHABRO
Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000044874491	569839714	/nfs/dbraw/zinc/83/97/14/569839714.db2.gz	XRFVXOHXNRKPAB-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218634437	569883526	/nfs/dbraw/zinc/88/35/26/569883526.db2.gz	FYRLKGWBFZAGTM-WOIUINJBSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1CCC[NH+]1CCOCC1	ZINC000222914570	569894244	/nfs/dbraw/zinc/89/42/44/569894244.db2.gz	MDVGECCXIQOJBS-ZEQRLZLVSA-N	1	0	455.672	3.851	40	0		JHABRO
Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1I	ZINC000223213490	569903710	/nfs/dbraw/zinc/90/37/10/569903710.db2.gz	VCWZTFYHHMFWOI-QZTJIDSGSA-N	1	0	483.423	3.555	40	0		JHABRO
COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)c1	ZINC000223292909	569906450	/nfs/dbraw/zinc/90/64/50/569906450.db2.gz	ICMVLGZNGOSSKI-YADHBBJMSA-N	1	0	450.564	3.662	40	0		JHABRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223456048	569911900	/nfs/dbraw/zinc/91/19/00/569911900.db2.gz	OTZBSOUNSOILSG-FTJBHMTQSA-N	1	0	490.677	3.790	40	0		JHABRO
CN(c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224272759	569938834	/nfs/dbraw/zinc/93/88/34/569938834.db2.gz	ALHRNABVQIWTKE-UHFFFAOYSA-N	1	0	450.004	3.771	40	0		JHABRO
Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1	ZINC000224402114	569943450	/nfs/dbraw/zinc/94/34/50/569943450.db2.gz	YIESJWPNJDJFGW-UHFFFAOYSA-N	1	0	499.677	3.577	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000224526791	569947230	/nfs/dbraw/zinc/94/72/30/569947230.db2.gz	PMDMIQDSXCHAOT-UHFFFAOYSA-N	1	0	469.651	3.918	40	0		JHABRO
CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224530136	569947370	/nfs/dbraw/zinc/94/73/70/569947370.db2.gz	UXRQSABGEVMRQM-VWLOTQADSA-N	1	0	487.666	3.932	40	0		JHABRO
Cc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000224531564	569947493	/nfs/dbraw/zinc/94/74/93/569947493.db2.gz	YIOKLMVOTJYBHN-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
CCOc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000224531954	569947502	/nfs/dbraw/zinc/94/75/02/569947502.db2.gz	SXLVUZIRKWCROF-UHFFFAOYSA-N	1	0	487.666	3.934	40	0		JHABRO
CCCn1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2sc1=O	ZINC000224540454	569947722	/nfs/dbraw/zinc/94/77/22/569947722.db2.gz	XYBSIOIEAPIDIT-UHFFFAOYSA-N	1	0	459.637	3.937	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224592795	569949833	/nfs/dbraw/zinc/94/98/33/569949833.db2.gz	XTFZAQORORDPNA-UHFFFAOYSA-N	1	0	463.603	3.794	40	0		JHABRO
Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1Cl	ZINC000224630302	569951447	/nfs/dbraw/zinc/95/14/47/569951447.db2.gz	GEUKQEFOXDSQCU-SFHVURJKSA-N	1	0	464.031	3.715	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Br	ZINC000224655268	569952424	/nfs/dbraw/zinc/95/24/24/569952424.db2.gz	VRQGBULVIPVONS-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000224677664	569953297	/nfs/dbraw/zinc/95/32/97/569953297.db2.gz	YZBOUPMEQXZQFX-HSZRJFAPSA-N	1	0	461.603	3.673	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224700782	569954039	/nfs/dbraw/zinc/95/40/39/569954039.db2.gz	YCJFJBHZWITPMQ-UHFFFAOYSA-N	1	0	499.677	3.715	40	0		JHABRO
COc1ccc(Br)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224702080	569954150	/nfs/dbraw/zinc/95/41/50/569954150.db2.gz	YERRLKZKXFLPHP-UHFFFAOYSA-N	1	0	453.402	3.922	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)CC2)cc1	ZINC000224704002	569954230	/nfs/dbraw/zinc/95/42/30/569954230.db2.gz	WUDAYTJBYLPYIV-UHFFFAOYSA-N	1	0	469.651	3.698	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1	ZINC000224767177	569956779	/nfs/dbraw/zinc/95/67/79/569956779.db2.gz	CJNBYQMRRYZDSJ-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224783263	569957364	/nfs/dbraw/zinc/95/73/64/569957364.db2.gz	FIIPODBJJIUNJC-JOCHJYFZSA-N	1	0	464.031	3.797	40	0		JHABRO
CC(C)Oc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224833759	569959649	/nfs/dbraw/zinc/95/96/49/569959649.db2.gz	HNAAZLNKGLZQRZ-UHFFFAOYSA-N	1	0	473.639	3.542	40	0		JHABRO
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)O2	ZINC000224838282	569959779	/nfs/dbraw/zinc/95/97/79/569959779.db2.gz	BPEGPBRBUNJHBL-VWLOTQADSA-N	1	0	499.677	3.813	40	0		JHABRO
Cc1nonc1COc1ccccc1C(=O)N1CC[N@@H+](C)C[C@@H](Cc2cccc3cccnc32)C1	ZINC000257200455	570107918	/nfs/dbraw/zinc/10/79/18/570107918.db2.gz	ADKJERGWZICWQK-HXUWFJFHSA-N	1	0	471.561	3.752	40	0		JHABRO
O=C(C[N@@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)Nc1ccc2c(c1)OCCCO2	ZINC000257211640	570111541	/nfs/dbraw/zinc/11/15/41/570111541.db2.gz	BZQRQTNZNNKFIJ-ZLNRFVROSA-N	1	0	463.578	3.531	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409059891	570113651	/nfs/dbraw/zinc/11/36/51/570113651.db2.gz	PCEUFAMIXAWDTM-VNGKGULCSA-O	1	0	493.381	3.782	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409060121	570113736	/nfs/dbraw/zinc/11/37/36/570113736.db2.gz	SXJXHDKBFKZOLL-UIOOFZCWSA-O	1	0	471.581	3.558	40	0		JHABRO
COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409061107	570114219	/nfs/dbraw/zinc/11/42/19/570114219.db2.gz	VHVKLMXZVGPKFK-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000409061393	570114467	/nfs/dbraw/zinc/11/44/67/570114467.db2.gz	ZHQJHEFBGUKACE-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409065183	570116100	/nfs/dbraw/zinc/11/61/00/570116100.db2.gz	DWJKQHCXQDMENX-RPWUZVMVSA-O	1	0	461.973	3.731	40	0		JHABRO
COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](CC(=O)NCc4ccc5[nH]c(C)c(C)c5c4)C[C@@H]32)cc1	ZINC000257229028	570116723	/nfs/dbraw/zinc/11/67/23/570116723.db2.gz	FWJPPOJHBDEMGH-STROYTFGSA-N	1	0	488.632	3.746	40	0		JHABRO
O=C(c1ccc(OCC[NH+]2CCCC2)cc1)N1C[C@H](c2ccc(F)cc2F)[C@H]2C[NH2+]CC[C@H]21	ZINC000257235094	570118565	/nfs/dbraw/zinc/11/85/65/570118565.db2.gz	GWKRVKXKYHHFRD-VDKIKQQVSA-N	1	0	455.549	3.657	40	0		JHABRO
C[N@H+](CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCCCC2)C1)C1CCCC1	ZINC000257244773	570121418	/nfs/dbraw/zinc/12/14/18/570121418.db2.gz	IMRSEMMDQAWLKF-RDPSFJRHSA-N	1	0	459.606	3.699	40	0		JHABRO
C[NH+](C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H]1c1ccccc1	ZINC000257245383	570121735	/nfs/dbraw/zinc/12/17/35/570121735.db2.gz	IPFPBQDAWIIOFI-USZFVNFHSA-N	1	0	458.562	3.649	40	0		JHABRO
Cc1ccc(F)c(NC(=O)CN2CCC3(CC2)CN(S(=O)(=O)CC(C)C)CC(C)(C)C3)c1	ZINC000257255662	570124793	/nfs/dbraw/zinc/12/47/93/570124793.db2.gz	KIJOCIFYYWHMSU-UHFFFAOYSA-N	1	0	467.651	3.873	40	0		JHABRO
Cc1nc(C(=O)N2CCOC[C@@H](Cc3cccc4cnccc43)C2)cc(C2(C)CC[NH+](C)CC2)n1	ZINC000257260330	570126399	/nfs/dbraw/zinc/12/63/99/570126399.db2.gz	LCIUPIUSJKNAHP-NRFANRHFSA-N	1	0	473.621	3.648	40	0		JHABRO
COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1	ZINC000257265799	570128182	/nfs/dbraw/zinc/12/81/82/570128182.db2.gz	MAIDEJIFBYAGJF-BIYCFNCWSA-N	1	0	479.621	3.839	40	0		JHABRO
COc1ccccc1-c1ccc(CC2(C(=O)N[C@@H](C)CN3CCOCC3)CCOCC2)cc1	ZINC000257281023	570132975	/nfs/dbraw/zinc/13/29/75/570132975.db2.gz	ONIWJCPFMFCIES-NRFANRHFSA-N	1	0	452.595	3.538	40	0		JHABRO
CC1(C(=O)N2CC[C@@]3(CN(CCc4ccccc4)C(=O)O3)C2)CC[NH+](Cc2ccccc2)CC1	ZINC000257296568	570137440	/nfs/dbraw/zinc/13/74/40/570137440.db2.gz	RDIZUPGFLFYQCS-NDEPHWFRSA-N	1	0	461.606	3.955	40	0		JHABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCOC[C@@H](Cc3cccc4n[nH]cc43)C2)CC1	ZINC000257304706	570139738	/nfs/dbraw/zinc/13/97/38/570139738.db2.gz	SMUMDWRPHBAABF-NRFANRHFSA-N	1	0	464.585	3.674	40	0		JHABRO
CC(C)[C@H](NC(=O)[C@@H](C)[NH3+])C(=O)N1CC[C@H]2O[C@H]3c4cc(C(C)(C)C)ccc4OC(C)(C)[C@@H]3C[C@H]21	ZINC000257305407	570139999	/nfs/dbraw/zinc/13/99/99/570139999.db2.gz	SPWHLOYMRKCLRB-SMLKQTAFSA-N	1	0	485.669	3.690	40	0		JHABRO
Cc1nc2cc(NC(=O)C[N@@H+]3[C@H](Cc4ccccc4)C[C@]4(C)NC(=O)CCC[C@H]34)ccc2n1C	ZINC000257307138	570140600	/nfs/dbraw/zinc/14/06/00/570140600.db2.gz	SXIYKNINQWSGIL-QURRFSBHSA-N	1	0	459.594	3.565	40	0		JHABRO
C[C@]1(C2CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)CN(Cc2ccccc2)C(=O)CO1	ZINC000257307821	570140736	/nfs/dbraw/zinc/14/07/36/570140736.db2.gz	TUHJMXWSMKVFEC-MUUNZHRXSA-N	1	0	472.589	3.601	40	0		JHABRO
CN(C)C(=O)c1sc2nc([C@H]3CCCCN3C(=O)c3ccccc3OCC[NH+](C)C)ccc2c1N	ZINC000257310425	570141565	/nfs/dbraw/zinc/14/15/65/570141565.db2.gz	UFAIAWLCSLAHNF-HXUWFJFHSA-N	1	0	495.649	3.888	40	0		JHABRO
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccc(F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1	ZINC000257318641	570144156	/nfs/dbraw/zinc/14/41/56/570144156.db2.gz	VOVZAITXTKRTHH-LUKWVAJMSA-N	1	0	460.546	3.740	40	0		JHABRO
C[C@]12C[C@@H](Cc3ccccc3)[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)[C@H]1CCCC(=O)N2	ZINC000257321240	570144761	/nfs/dbraw/zinc/14/47/61/570144761.db2.gz	WAUBIJWFWCFWOE-QURRFSBHSA-N	1	0	463.578	3.531	40	0		JHABRO
CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CC[NH+](Cc1ccnc(N3CCCCC3)n1)CC2	ZINC000257337883	570149873	/nfs/dbraw/zinc/14/98/73/570149873.db2.gz	YUWQODHUWKOBFA-HSZRJFAPSA-N	1	0	451.590	3.662	40	0		JHABRO
O=C(c1cccc(Cn2ccnc2)c1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2cnccn2)C1	ZINC000257341605	570150867	/nfs/dbraw/zinc/15/08/67/570150867.db2.gz	ZLASQOPCSXQBRB-VWLOTQADSA-N	1	0	466.589	3.538	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)C2)cc1	ZINC000260897319	570162478	/nfs/dbraw/zinc/16/24/78/570162478.db2.gz	LDTZVUDOBFLCQK-DEOSSOPVSA-N	1	0	469.651	3.698	40	0		JHABRO
COc1ccc(CN2C[C@]3(CC[N@H+](Cc4ccccc4)C3)Oc3ccccc3S2(=O)=O)cc1	ZINC000306134143	570178377	/nfs/dbraw/zinc/17/83/77/570178377.db2.gz	NEHIZPSSCKXCMX-AREMUKBSSA-N	1	0	464.587	3.923	40	0		JHABRO
C[NH+](C)CCCNc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)n1	ZINC000328976858	570180314	/nfs/dbraw/zinc/18/03/14/570180314.db2.gz	FQOATVRDYVRWKH-UHFFFAOYSA-N	1	0	471.774	3.563	40	0		JHABRO
C[NH+](C)CCCNc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)n1	ZINC000329026164	570182208	/nfs/dbraw/zinc/18/22/08/570182208.db2.gz	PKARKBUHXKZVPR-UHFFFAOYSA-N	1	0	491.352	3.838	40	0		JHABRO
COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+]4CCN(CCO)CC4)C=C3C)o2)cc1	ZINC000030883222	291512968	/nfs/dbraw/zinc/51/29/68/291512968.db2.gz	JGQPDGRXOCKCJK-LSQMVHIFSA-N	1	0	468.642	3.752	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000001374247	194108122	/nfs/dbraw/zinc/10/81/22/194108122.db2.gz	WOHZBXNTAJDSCU-DEOSSOPVSA-N	1	0	488.592	3.582	40	0		JHABRO
O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1	ZINC000003841488	194363559	/nfs/dbraw/zinc/36/35/59/194363559.db2.gz	HPYVHCPWINHKLW-ZWKOTPCHSA-N	1	0	471.529	3.547	40	0	biogenic,in-vitro	JHABRO
O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)c1cccs1	ZINC000012602532	195047614	/nfs/dbraw/zinc/04/76/14/195047614.db2.gz	ROKRHGAQIAKBKT-KMDXXIMOSA-N	1	0	473.708	3.692	40	0	biogenic,in-vitro	JHABRO
COc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3)cc2c1Br	ZINC000057719344	195358024	/nfs/dbraw/zinc/35/80/24/195358024.db2.gz	VMBHXBZMHHBVMD-UHFFFAOYSA-N	1	0	457.372	3.663	40	0		JHABRO
C[NH+]1CCC(O)(Cn2nc(-c3cccnc3)c3ccc(NC(=O)Cc4ccccc4)cc32)CC1	ZINC000057775054	195360422	/nfs/dbraw/zinc/36/04/22/195360422.db2.gz	GESBZSJPQWYLPG-UHFFFAOYSA-N	1	0	455.562	3.736	40	0		JHABRO
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)O2	ZINC000038831912	519053712	/nfs/dbraw/zinc/05/37/12/519053712.db2.gz	DNMBVYCFMIDKNU-VWLOTQADSA-N	1	0	499.677	3.813	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCc1ccccc1	ZINC000006193466	520646675	/nfs/dbraw/zinc/64/66/75/520646675.db2.gz	NQOOYNLGGAQPJH-UHFFFAOYSA-N	1	0	452.624	3.755	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006196725	521283435	/nfs/dbraw/zinc/28/34/35/521283435.db2.gz	STQMAKUGVLQHNU-UHFFFAOYSA-N	1	0	458.653	3.817	40	0		JHABRO
CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C	ZINC000008635495	521496651	/nfs/dbraw/zinc/49/66/51/521496651.db2.gz	WNYAYSNQIPQABA-TYPHKJRUSA-N	1	0	454.615	3.835	40	0	biogenic,in-vitro	JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O	ZINC000020457911	523167896	/nfs/dbraw/zinc/16/78/96/523167896.db2.gz	IYXMYSVVELPTEW-LJQANCHMSA-N	1	0	459.587	3.772	40	0		JHABRO
CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1	ZINC000006197721	524057790	/nfs/dbraw/zinc/05/77/90/524057790.db2.gz	CDKDJTBXNHBWEI-UHFFFAOYSA-N	1	0	496.677	3.589	40	0		JHABRO
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000044875170	524633192	/nfs/dbraw/zinc/63/31/92/524633192.db2.gz	NUNIQYKNIDXCIJ-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
Cc1cc(Cl)ccc1C[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2C)CC1	ZINC000027530950	524888815	/nfs/dbraw/zinc/88/88/15/524888815.db2.gz	HOMAWCZWSDXOJZ-DHIUTWEWSA-N	1	0	467.437	3.571	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000044872378	526656550	/nfs/dbraw/zinc/65/65/50/526656550.db2.gz	RVDDXCUOIPKKGI-UHFFFAOYSA-N	1	0	483.678	3.573	40	0		JHABRO
O=C(c1ccc2c(=O)[nH]c3c(-c4ccccc4F)nnn3c2c1)N1CC[NH+](C2CCCCC2)CC1	ZINC000033249245	526721526	/nfs/dbraw/zinc/72/15/26/526721526.db2.gz	MAYLMTANBGNLAD-UHFFFAOYSA-N	1	0	474.540	3.880	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(OC)cc3)cc2c1	ZINC000000880700	553817439	/nfs/dbraw/zinc/81/74/39/553817439.db2.gz	XMDVFSWUAMSWNM-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5ccc(OC(F)(F)F)cc5)ccc43)C2)CC1	ZINC000005415848	554490993	/nfs/dbraw/zinc/49/09/93/554490993.db2.gz	VBDJHHDELIKJQO-PKOBYXMFSA-N	1	0	475.511	3.844	40	0	biogenic,in-vitro	JHABRO
COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2C)c2ccccc2N(C/C=C\c2ccccc2)C1=O	ZINC000008868122	554761768	/nfs/dbraw/zinc/76/17/68/554761768.db2.gz	MBDBZKCQRBCWCM-YPSXJMAKSA-N	1	0	493.563	3.748	40	0		JHABRO
CC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000008892209	554780353	/nfs/dbraw/zinc/78/03/53/554780353.db2.gz	ZNQXQVBJFKGRBH-OAWVOVMNSA-N	1	0	465.553	3.612	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O	ZINC000013494809	555406393	/nfs/dbraw/zinc/40/63/93/555406393.db2.gz	SKTYHPYNOLCWNK-DEOSSOPVSA-N	1	0	488.592	3.848	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000013498835	555425140	/nfs/dbraw/zinc/42/51/40/555425140.db2.gz	UYZNWKVALBOLLM-DEOSSOPVSA-N	1	0	498.628	3.710	40	0		JHABRO
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000013669150	555558790	/nfs/dbraw/zinc/55/87/90/555558790.db2.gz	MALCNHAQHLMTPC-UHFFFAOYSA-N	1	0	464.031	3.912	40	0		JHABRO
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1	ZINC000013671082	555562540	/nfs/dbraw/zinc/56/25/40/555562540.db2.gz	PWXRCSWFESEACQ-UHFFFAOYSA-N	1	0	470.422	3.791	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cccc(Cl)c2)cc1	ZINC000010277518	555671356	/nfs/dbraw/zinc/67/13/56/555671356.db2.gz	QHEQYECCCPPWKE-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000010450098	555716683	/nfs/dbraw/zinc/71/66/83/555716683.db2.gz	HBFILTCBGWDBKR-UHFFFAOYSA-N	1	0	450.004	3.522	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000015139983	555880494	/nfs/dbraw/zinc/88/04/94/555880494.db2.gz	XFRASMAZYWGBCZ-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1Cl	ZINC000023471968	556073867	/nfs/dbraw/zinc/07/38/67/556073867.db2.gz	WBYDZIGOOQCXTQ-UHFFFAOYSA-N	1	0	457.796	3.752	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1	ZINC000008584106	562940572	/nfs/dbraw/zinc/94/05/72/562940572.db2.gz	MQNVJFPUBRZDJQ-DEOSSOPVSA-N	1	0	480.613	3.836	40	0		JHABRO
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000033613727	569628741	/nfs/dbraw/zinc/62/87/41/569628741.db2.gz	OZASTFAKSPZKEC-UHFFFAOYSA-N	1	0	453.395	3.881	40	0		JHABRO
Cc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]31)C(=O)N2	ZINC000103518122	569835590	/nfs/dbraw/zinc/83/55/90/569835590.db2.gz	LLJXKGUBFDFFLN-GYKHTSFTSA-N	1	0	494.526	3.783	40	0		JHABRO
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044874411	569839720	/nfs/dbraw/zinc/83/97/20/569839720.db2.gz	FJMUVKNCEVMVJL-GOSISDBHSA-N	1	0	494.057	3.805	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218632486	569883474	/nfs/dbraw/zinc/88/34/74/569883474.db2.gz	ZQMRKJPOIJTHCF-WOIUINJBSA-N	1	0	450.988	3.810	40	0		JHABRO
COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1	ZINC000223250695	569904859	/nfs/dbraw/zinc/90/48/59/569904859.db2.gz	XWZWUIVNAJJAKP-DHIUTWEWSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223491803	569913269	/nfs/dbraw/zinc/91/32/69/569913269.db2.gz	HFWIETPRZLHZQM-CLJLJLNGSA-N	1	0	490.677	3.790	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCCC3)c2)cc1	ZINC000224343567	569941248	/nfs/dbraw/zinc/94/12/48/569941248.db2.gz	XOMPFZBPAKNTAN-UHFFFAOYSA-N	1	0	450.004	3.689	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	ZINC000224511426	569946808	/nfs/dbraw/zinc/94/68/08/569946808.db2.gz	ZTODCSCGVADDKI-QFIPXVFZSA-N	1	0	482.021	3.936	40	0		JHABRO
COc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1Cl	ZINC000224611516	569950646	/nfs/dbraw/zinc/95/06/46/569950646.db2.gz	ZRBYBQGUFJFDBK-UHFFFAOYSA-N	1	0	494.057	3.807	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224613554	569950803	/nfs/dbraw/zinc/95/08/03/569950803.db2.gz	GGXUPOHPMKDQSL-UHFFFAOYSA-N	1	0	485.650	3.642	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224619640	569951045	/nfs/dbraw/zinc/95/10/45/569951045.db2.gz	CYDRXSSNPGGUQG-JOCHJYFZSA-N	1	0	464.031	3.797	40	0		JHABRO
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2)CC1	ZINC000224628872	569951450	/nfs/dbraw/zinc/95/14/50/569951450.db2.gz	AYABHJDJZYKXRF-UHFFFAOYSA-N	1	0	455.624	3.633	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	ZINC000224632438	569951581	/nfs/dbraw/zinc/95/15/81/569951581.db2.gz	ZIVLDYVESRADSG-QFIPXVFZSA-N	1	0	482.021	3.936	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000224632227	569951592	/nfs/dbraw/zinc/95/15/92/569951592.db2.gz	VBJGZWJPPGHVSV-QFIPXVFZSA-N	1	0	494.057	3.805	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Br)cc1	ZINC000224653722	569952304	/nfs/dbraw/zinc/95/23/04/569952304.db2.gz	RDCRNILIUGLPNV-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000224661242	569952608	/nfs/dbraw/zinc/95/26/08/569952608.db2.gz	FGWNCMMFSGBXFO-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000224677611	569953301	/nfs/dbraw/zinc/95/33/01/569953301.db2.gz	YZBOUPMEQXZQFX-QHCPKHFHSA-N	1	0	461.603	3.673	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C(F)(F)F)cc1	ZINC000224688756	569953583	/nfs/dbraw/zinc/95/35/83/569953583.db2.gz	QBAGXBYHTUTXBV-UHFFFAOYSA-N	1	0	483.556	3.774	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccccc1F)S(C)(=O)=O	ZINC000224690892	569953706	/nfs/dbraw/zinc/95/37/06/569953706.db2.gz	GTEUGFOQXZOHKQ-QFIPXVFZSA-N	1	0	461.603	3.673	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000224785811	569957470	/nfs/dbraw/zinc/95/74/70/569957470.db2.gz	WLPXNVSHHAKMGO-UHFFFAOYSA-N	1	0	490.069	3.794	40	0		JHABRO
CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1	ZINC000224795859	569957932	/nfs/dbraw/zinc/95/79/32/569957932.db2.gz	OTTYCSHGNIBHOB-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CCOc1ccccc1N(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000224797447	569958049	/nfs/dbraw/zinc/95/80/49/569958049.db2.gz	QXFQRJKLVKCVDN-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCNc1cc(C)[nH+]c2ccccc12	ZINC000225230317	569984459	/nfs/dbraw/zinc/98/44/59/569984459.db2.gz	ZJTBWWCLQNEESL-UHFFFAOYSA-N	1	0	499.662	3.735	40	0		JHABRO
Cc1ncsc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1	ZINC000257200864	570108063	/nfs/dbraw/zinc/10/80/63/570108063.db2.gz	AFEFOSRVFMTNSX-DEOSSOPVSA-N	1	0	491.057	3.570	40	0		JHABRO
C[C@]12CC[N@H+](CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCCC(=O)N2Cc1ccccc1	ZINC000257210721	570111263	/nfs/dbraw/zinc/11/12/63/570111263.db2.gz	BVVWCQNBIAVBAK-CUBQBAPOSA-N	1	0	473.621	3.657	40	0		JHABRO
COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409054705	570111257	/nfs/dbraw/zinc/11/12/57/570111257.db2.gz	BBLYAFJAVKIZRR-WSBKAMHLSA-O	1	0	493.381	3.782	40	0		JHABRO
COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1	ZINC000257213573	570112248	/nfs/dbraw/zinc/11/22/48/570112248.db2.gz	CIEBVUAYOVZLJB-UHFFFAOYSA-N	1	0	474.001	3.804	40	0		JHABRO
C[NH+](C)CC(=O)N1CCC[C@](C)(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)C1	ZINC000257219174	570113872	/nfs/dbraw/zinc/11/38/72/570113872.db2.gz	DFWCOVHYNYHBBN-NDEPHWFRSA-N	1	0	462.638	3.569	40	0		JHABRO
Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@H]2c2ccccc2)c1	ZINC000409060741	570113990	/nfs/dbraw/zinc/11/39/90/570113990.db2.gz	XJOCSRPCQRGZCY-WXUIRWOTSA-O	1	0	463.355	3.774	40	0		JHABRO
COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409061106	570114225	/nfs/dbraw/zinc/11/42/25/570114225.db2.gz	VHVKLMXZVGPKFK-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC2(O)CCN(c3cccc(OC)c3)CC2)cc1	ZINC000257221575	570114511	/nfs/dbraw/zinc/11/45/11/570114511.db2.gz	DPQQEPSHJFPYPJ-NSVAZKTRSA-N	1	0	493.648	3.910	40	0		JHABRO
OCCOc1ccc(C[N@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1	ZINC000257221823	570114640	/nfs/dbraw/zinc/11/46/40/570114640.db2.gz	DQRAUZUHWOVDDA-OAQYLSRUSA-N	1	0	466.603	3.516	40	0		JHABRO
CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)CN(C)Cc1ccccn1)CC2	ZINC000257223817	570115287	/nfs/dbraw/zinc/11/52/87/570115287.db2.gz	DYZQLNUVGIRGGP-VWLOTQADSA-N	1	0	462.638	3.622	40	0		JHABRO
Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409065184	570116064	/nfs/dbraw/zinc/11/60/64/570116064.db2.gz	DWJKQHCXQDMENX-ZEQRLZLVSA-O	1	0	461.973	3.731	40	0		JHABRO
CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)on1	ZINC000257226638	570116169	/nfs/dbraw/zinc/11/61/69/570116169.db2.gz	FLMCSJOGPNMXQW-AVRDEDQJSA-N	1	0	489.016	3.525	40	0		JHABRO
CC(=O)N[C@H]1CC2(CC[NH+](Cc3cc(Cl)ccc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257234626	570118458	/nfs/dbraw/zinc/11/84/58/570118458.db2.gz	GUKSKXZEVYLHKP-DQEYMECFSA-N	1	0	473.013	3.930	40	0		JHABRO
CC1(C)Oc2c(O)cccc2[C@H]2OCC3(CC[NH+](CC(=O)NCCOc4ccccc4)CC3)C[C@@H]21	ZINC000257259268	570125948	/nfs/dbraw/zinc/12/59/48/570125948.db2.gz	KXONTCCJYMBQFW-WIOPSUGQSA-N	1	0	480.605	3.918	40	0		JHABRO
COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)c2ccccc2Cn2ccnc2)cc1	ZINC000257267419	570128646	/nfs/dbraw/zinc/12/86/46/570128646.db2.gz	MHFTYLFHDLTOCO-ZSQFBXSQSA-N	1	0	472.589	3.825	40	0		JHABRO
COc1ccc(NC(C)=O)cc1CNC(=O)CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCC[N@@H+]2C	ZINC000257267167	570128698	/nfs/dbraw/zinc/12/86/98/570128698.db2.gz	MGFAWDHIPJZHMX-VBOOUTDYSA-N	1	0	478.637	3.612	40	0		JHABRO
Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCCN4CCNC4=O)cc3)C2)cc(C)c1Cl	ZINC000257271345	570129980	/nfs/dbraw/zinc/12/99/80/570129980.db2.gz	MXXXGUGCKIKDSN-SANMLTNESA-N	1	0	488.028	3.767	40	0		JHABRO
Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H]([NH3+])Cc4ccc(O)cc4)CC[C@@H]3O[C@H]21	ZINC000257278994	570132476	/nfs/dbraw/zinc/13/24/76/570132476.db2.gz	OENOHBBEBUCLAT-XHHQFBNASA-N	1	0	450.579	3.736	40	0		JHABRO
O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Oc2cccnc2)cc1	ZINC000257291992	570136059	/nfs/dbraw/zinc/13/60/59/570136059.db2.gz	QJMWPFVYEBOTJG-XCZPVHLTSA-N	1	0	472.589	3.914	40	0		JHABRO
CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1	ZINC000257300970	570138736	/nfs/dbraw/zinc/13/87/36/570138736.db2.gz	RWKKGECDOYOICF-AREMUKBSSA-N	1	0	471.573	3.680	40	0		JHABRO
CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1	ZINC000257300971	570138779	/nfs/dbraw/zinc/13/87/79/570138779.db2.gz	RWKKGECDOYOICF-SANMLTNESA-N	1	0	471.573	3.680	40	0		JHABRO
Cc1nn(C)cc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257302688	570139175	/nfs/dbraw/zinc/13/91/75/570139175.db2.gz	SDWOUSDPCKFOAN-RUZDIDTESA-N	1	0	475.033	3.600	40	0		JHABRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CC[C@H]2O[C@H]3c4cc(C(C)(C)C)ccc4OC(C)(C)[C@@H]3C[C@H]21	ZINC000257305405	570139994	/nfs/dbraw/zinc/13/99/94/570139994.db2.gz	SPWHLOYMRKCLRB-LXGAWTIMSA-N	1	0	485.669	3.690	40	0		JHABRO
CCn1c(CCCC(=O)N(C)C[C@@]2(O)CCN(c3cc(C)nc4ccncc43)C2)nc2ccccc21	ZINC000257332970	570148479	/nfs/dbraw/zinc/14/84/79/570148479.db2.gz	XZMOGDAXWOBHCT-NDEPHWFRSA-N	1	0	486.620	3.730	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)C2)cc1	ZINC000260890328	570161852	/nfs/dbraw/zinc/16/18/52/570161852.db2.gz	CDUCNUFVVBBWGB-FQEVSTJZSA-N	1	0	471.623	3.507	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1	ZINC000001336021	194095255	/nfs/dbraw/zinc/09/52/55/194095255.db2.gz	YUYKXIJAZVFSIW-OAQYLSRUSA-N	1	0	462.550	3.818	40	0		JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(F)cc1	ZINC000001342330	194098705	/nfs/dbraw/zinc/09/87/05/194098705.db2.gz	ADDOGVFTGJTFFA-FQEVSTJZSA-N	1	0	466.513	3.914	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1	ZINC000006193157	194419670	/nfs/dbraw/zinc/41/96/70/194419670.db2.gz	KERMBEMTMKYBPH-QFIPXVFZSA-N	1	0	458.672	3.732	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1	ZINC000012707263	195093141	/nfs/dbraw/zinc/09/31/41/195093141.db2.gz	SZJMJJDCWBHDFA-UHFFFAOYSA-N	1	0	452.555	3.921	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccc(C)cc1	ZINC000020674559	195199366	/nfs/dbraw/zinc/19/93/66/195199366.db2.gz	UBHTVSSEGBNXJY-SFTDATJTSA-N	1	0	488.510	3.542	40	0		JHABRO
CC[NH+](CC)CCNC(=O)c1ccc(NCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1	ZINC000005487461	520682572	/nfs/dbraw/zinc/68/25/72/520682572.db2.gz	CDHHTLYATJBPNO-UHFFFAOYSA-N	1	0	499.615	3.623	40	0		JHABRO
CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000044873904	521030683	/nfs/dbraw/zinc/03/06/83/521030683.db2.gz	BAPFPMLOSJRKMT-FQEVSTJZSA-N	1	0	473.639	3.542	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl	ZINC000044857326	525150057	/nfs/dbraw/zinc/15/00/57/525150057.db2.gz	GPOQGTKQRWIVQH-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1	ZINC000013670731	525158725	/nfs/dbraw/zinc/15/87/25/525158725.db2.gz	AJNRJQSPBCAPEQ-UHFFFAOYSA-N	1	0	461.603	3.788	40	0		JHABRO
Cc1c([N+]2=C3CCCCCN3[C@](O)(c3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000027525029	525824094	/nfs/dbraw/zinc/82/40/94/525824094.db2.gz	CDVFSGLKHPPJPN-RUZDIDTESA-N	1	0	451.978	3.788	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000044874873	526655909	/nfs/dbraw/zinc/65/59/09/526655909.db2.gz	DWOXINODYUROSJ-UHFFFAOYSA-N	1	0	497.705	3.963	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000044875227	526656678	/nfs/dbraw/zinc/65/66/78/526656678.db2.gz	GPUHJBLCRATQDI-HHHXNRCGSA-N	1	0	497.705	3.963	40	0		JHABRO
O=C([O-])C[C@@H]1CC[N@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CC[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000012480987	527630031	/nfs/dbraw/zinc/63/00/31/527630031.db2.gz	MRPBDGGQACZOPR-CWBXHPNXSA-N	1	0	488.632	3.752	40	0	biogenic,in-vitro	JHABRO
C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1cccc(Cl)c1	ZINC000000891524	553829229	/nfs/dbraw/zinc/82/92/29/553829229.db2.gz	TVSHJQBXIWACGS-UHFFFAOYSA-N	1	0	472.998	3.713	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)NCc3ccccc3)cc2c1	ZINC000000928156	553865514	/nfs/dbraw/zinc/86/55/14/553865514.db2.gz	KAODRJBAHIHKCB-UHFFFAOYSA-N	1	0	464.635	3.899	40	0		JHABRO
COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1	ZINC000006198532	554519751	/nfs/dbraw/zinc/51/97/51/554519751.db2.gz	ILJXYIUCIMIXHZ-UHFFFAOYSA-N	1	0	456.587	3.504	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1	ZINC000013498558	555422182	/nfs/dbraw/zinc/42/21/82/555422182.db2.gz	HNSBXSFGEHBKLD-HSZRJFAPSA-N	1	0	466.586	3.528	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccc(Cl)cc2)cc1	ZINC000013670238	555560725	/nfs/dbraw/zinc/56/07/25/555560725.db2.gz	AQHNBJOHCNKUAA-UHFFFAOYSA-N	1	0	494.057	3.782	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2cccc(C)c2)cc1	ZINC000013670257	555560786	/nfs/dbraw/zinc/56/07/86/555560786.db2.gz	JZFJRVLYVPWRSK-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1	ZINC000013670862	555562034	/nfs/dbraw/zinc/56/20/34/555562034.db2.gz	BMSOFIZWUXXAQV-UHFFFAOYSA-N	1	0	494.057	3.926	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000013674659	555566029	/nfs/dbraw/zinc/56/60/29/555566029.db2.gz	JWXIHGVUSVHOOV-UHFFFAOYSA-N	1	0	487.666	3.827	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(C)cc2)cc1	ZINC000010111192	555622153	/nfs/dbraw/zinc/62/21/53/555622153.db2.gz	OGWALVNZNQJFMF-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
CCc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1	ZINC000010111128	555622236	/nfs/dbraw/zinc/62/22/36/555622236.db2.gz	VKEMQUJEPIZRLA-UHFFFAOYSA-N	1	0	457.640	3.827	40	0		JHABRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1	ZINC000020110454	555646638	/nfs/dbraw/zinc/64/66/38/555646638.db2.gz	FJQYSSQYLKVBMA-QZTJIDSGSA-N	1	0	488.069	3.505	40	0		JHABRO
C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000010278357	555671709	/nfs/dbraw/zinc/67/17/09/555671709.db2.gz	FDNKKNXAFDQPHM-FQEVSTJZSA-N	1	0	459.612	3.626	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000010278845	555671965	/nfs/dbraw/zinc/67/19/65/555671965.db2.gz	VDOVTMJKASWRPA-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1	ZINC000010540979	555724313	/nfs/dbraw/zinc/72/43/13/555724313.db2.gz	VKAXJXIJRJIDPH-UHFFFAOYSA-N	1	0	456.052	3.757	40	0		JHABRO
COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCc1ccccc1F	ZINC000022109273	555876215	/nfs/dbraw/zinc/87/62/15/555876215.db2.gz	XRTUPLDDVZZQGL-UHFFFAOYSA-N	1	0	496.406	3.971	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCN(C)C)C[C@@H](c3ccc(F)cc3)N21	ZINC000022927050	555978214	/nfs/dbraw/zinc/97/82/14/555978214.db2.gz	UVVITQYCKGVWEF-IODBPXAYSA-N	1	0	464.585	3.803	40	0	biogenic,in-vitro	JHABRO
COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)c(OC)c1	ZINC000022929366	555981644	/nfs/dbraw/zinc/98/16/44/555981644.db2.gz	LQLSKDYTQKXCBX-RUZDIDTESA-N	1	0	480.588	3.527	40	0		JHABRO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000023471900	556073876	/nfs/dbraw/zinc/07/38/76/556073876.db2.gz	VYLVBXNSEBXQMJ-UHFFFAOYSA-N	1	0	457.796	3.752	40	0		JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1	ZINC000008586288	562940934	/nfs/dbraw/zinc/94/09/34/562940934.db2.gz	GAESXKISQQCEHB-JOCHJYFZSA-N	1	0	466.586	3.672	40	0		JHABRO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000034856479	569667374	/nfs/dbraw/zinc/66/73/74/569667374.db2.gz	YLUQWJAHLLAJBJ-TZTMDHJLSA-N	1	0	451.526	3.888	40	0		JHABRO
CCCOc1ccc(N2C(=O)C[C@@H](N3CCC([NH+]4CCN(c5ccc(F)cc5)CC4)CC3)C2=O)cc1	ZINC000102405705	569812902	/nfs/dbraw/zinc/81/29/02/569812902.db2.gz	RIAGKKUBNKEDAE-AREMUKBSSA-N	1	0	494.611	3.533	40	0		JHABRO
COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C	ZINC000223250319	569904861	/nfs/dbraw/zinc/90/48/61/569904861.db2.gz	WRCDYVDVJMFTPT-XZOQPEGZSA-N	1	0	463.607	3.583	40	0		JHABRO
COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C	ZINC000223250371	569904896	/nfs/dbraw/zinc/90/48/96/569904896.db2.gz	WRCDYVDVJMFTPT-GOTSBHOMSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223455998	569911890	/nfs/dbraw/zinc/91/18/90/569911890.db2.gz	OTZBSOUNSOILSG-CLJLJLNGSA-N	1	0	490.677	3.790	40	0		JHABRO
CC(C)Oc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224524054	569947188	/nfs/dbraw/zinc/94/71/88/569947188.db2.gz	PJGKWUXWJNQOOZ-UHFFFAOYSA-N	1	0	473.639	3.542	40	0		JHABRO
CCCOc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224524194	569947200	/nfs/dbraw/zinc/94/72/00/569947200.db2.gz	DDAKEAUKFUJWLV-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1Cl	ZINC000224605868	569950415	/nfs/dbraw/zinc/95/04/15/569950415.db2.gz	NJEVSBUZGOAMBY-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000224632270	569951590	/nfs/dbraw/zinc/95/15/90/569951590.db2.gz	VBJGZWJPPGHVSV-JOCHJYFZSA-N	1	0	494.057	3.805	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1	ZINC000224671255	569953090	/nfs/dbraw/zinc/95/30/90/569953090.db2.gz	DVXPROIPHQYBPN-UHFFFAOYSA-N	1	0	461.603	3.674	40	0		JHABRO
COc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)S(=O)(=O)c1ccccc1	ZINC000224761520	569956543	/nfs/dbraw/zinc/95/65/43/569956543.db2.gz	IEZDHDMVYZVLSC-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)c2)CC1	ZINC000224793122	569957873	/nfs/dbraw/zinc/95/78/73/569957873.db2.gz	RMFXNTZMFZUURO-UHFFFAOYSA-N	1	0	455.624	3.633	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000224802742	569958249	/nfs/dbraw/zinc/95/82/49/569958249.db2.gz	ODHIFJGGFGGYNA-UHFFFAOYSA-N	1	0	499.677	3.715	40	0		JHABRO
Cc1c(Cl)cccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224815195	569958849	/nfs/dbraw/zinc/95/88/49/569958849.db2.gz	IYMBSNLIIAXKLB-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C(=O)N1CCCCC1	ZINC000224824827	569959307	/nfs/dbraw/zinc/95/93/07/569959307.db2.gz	CFKBFPOCSOVORD-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCCC1)CC2=O)NC1CC1	ZINC000253399968	570096392	/nfs/dbraw/zinc/09/63/92/570096392.db2.gz	KGHNMIVRFQOJPL-HJIDZEHQSA-N	1	0	451.611	3.513	40	0		JHABRO
O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000409023353	570103737	/nfs/dbraw/zinc/10/37/37/570103737.db2.gz	ROZYARXCCXNZTH-UHFFFAOYSA-N	1	0	469.585	3.932	40	0		JHABRO
COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CC[NH2+]CC5)C4)nc32)cc1	ZINC000257200032	570107762	/nfs/dbraw/zinc/10/77/62/570107762.db2.gz	ABSVTGRIDTXLNC-JOCHJYFZSA-N	1	0	477.653	3.637	40	0		JHABRO
CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@@H+]2CC(=O)NCCc1nc2ccccc2[nH]1	ZINC000257200239	570107846	/nfs/dbraw/zinc/10/78/46/570107846.db2.gz	ACOCRESIDMKYHY-MVNQZMKCSA-N	1	0	487.648	3.698	40	0		JHABRO
Cc1ncsc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1	ZINC000257200865	570107977	/nfs/dbraw/zinc/10/79/77/570107977.db2.gz	AFEFOSRVFMTNSX-XMMPIXPASA-N	1	0	491.057	3.570	40	0		JHABRO
CC(=O)Nc1ccc2nc(NC(=O)CN3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)sc2c1	ZINC000257209577	570110830	/nfs/dbraw/zinc/11/08/30/570110830.db2.gz	BQXPTURCNWXLIX-VXKWHMMOSA-N	1	0	491.617	3.849	40	0		JHABRO
COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409057138	570112349	/nfs/dbraw/zinc/11/23/49/570112349.db2.gz	IUXNOHFELOGZBF-NTZHMZQUSA-O	1	0	472.565	3.843	40	0		JHABRO
Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1	ZINC000409057381	570112450	/nfs/dbraw/zinc/11/24/50/570112450.db2.gz	PAHAOCQEVQOAHC-WXUIRWOTSA-O	1	0	463.355	3.774	40	0		JHABRO
Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409060470	570113833	/nfs/dbraw/zinc/11/38/33/570113833.db2.gz	VSCIOIPZIQXJAO-NGTVUAHZSA-O	1	0	481.345	3.913	40	0		JHABRO
Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000409062129	570114813	/nfs/dbraw/zinc/11/48/13/570114813.db2.gz	OEVWNXDRBUSJIG-RPWUZVMVSA-O	1	0	461.973	3.731	40	0		JHABRO
COc1ccc(NC(C)=O)c(NC(=O)CN2CCN(C)[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1	ZINC000257255561	570124785	/nfs/dbraw/zinc/12/47/85/570124785.db2.gz	KHYQRKXTWDPGGC-OAQYLSRUSA-N	1	0	464.488	3.600	40	0		JHABRO
C[N@@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000257265229	570128093	/nfs/dbraw/zinc/12/80/93/570128093.db2.gz	LXUZCNORRMVTCS-LJQANCHMSA-N	1	0	490.526	3.549	40	0		JHABRO
CC[NH+]1CCN(CCCNC(=O)[C@]2(Cc3cccc(-c4ccccc4OC)c3)CCCO2)CC1	ZINC000257267425	570128747	/nfs/dbraw/zinc/12/87/47/570128747.db2.gz	MHGWVIMGSOTZLU-MUUNZHRXSA-N	1	0	465.638	3.598	40	0		JHABRO
O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](CCCc2ccccc2)CCO1)N1CCOCC1	ZINC000257271726	570130213	/nfs/dbraw/zinc/13/02/13/570130213.db2.gz	MZNOGNAJBPZCPP-SANMLTNESA-N	1	0	473.013	3.672	40	0		JHABRO
COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1	ZINC000257284475	570133968	/nfs/dbraw/zinc/13/39/68/570133968.db2.gz	PCWAACRRHHODGE-KAYWLYCHSA-N	1	0	471.601	3.629	40	0		JHABRO
O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000257306865	570140381	/nfs/dbraw/zinc/14/03/81/570140381.db2.gz	SWIHBHGMXAAWPY-IGKIAQTJSA-N	1	0	494.636	3.913	40	0		JHABRO
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)O2	ZINC000260892645	570162046	/nfs/dbraw/zinc/16/20/46/570162046.db2.gz	BPEGPBRBUNJHBL-RUZDIDTESA-N	1	0	499.677	3.813	40	0		JHABRO
C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329014024	570181710	/nfs/dbraw/zinc/18/17/10/570181710.db2.gz	MTUDDANIRRYPSK-UHFFFAOYSA-N	1	0	475.471	3.722	40	0		JHABRO
CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1	ZINC000015673386	291508972	/nfs/dbraw/zinc/50/89/72/291508972.db2.gz	OUTDLTPCQIFKIW-PMACEKPBSA-N	1	0	479.625	3.682	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1	ZINC000020637105	195192199	/nfs/dbraw/zinc/19/21/99/195192199.db2.gz	DGQYPFBQLFCCDA-PMACEKPBSA-N	1	0	475.376	3.522	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)NCc1ccco1	ZINC000006192971	520597205	/nfs/dbraw/zinc/59/72/05/520597205.db2.gz	NOPOYFFVFIUFQG-UHFFFAOYSA-N	1	0	486.638	3.747	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O	ZINC000006078250	520622679	/nfs/dbraw/zinc/62/26/79/520622679.db2.gz	YVGTWNQKYPNERG-UHFFFAOYSA-N	1	0	451.640	3.840	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006196670	521282960	/nfs/dbraw/zinc/28/29/60/521282960.db2.gz	CBFXDVOGASNQFD-UHFFFAOYSA-N	1	0	470.614	3.894	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006078253	521284141	/nfs/dbraw/zinc/28/41/41/521284141.db2.gz	LUHCPRPVEIKBDF-UHFFFAOYSA-N	1	0	481.666	3.930	40	0		JHABRO
COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)cc1	ZINC000020503633	524042911	/nfs/dbraw/zinc/04/29/11/524042911.db2.gz	SOKRUUNPZIBSHM-UKILVPOCSA-N	1	0	485.628	3.975	40	0	biogenic,in-vitro	JHABRO
COc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1	ZINC000044857255	524529969	/nfs/dbraw/zinc/52/99/69/524529969.db2.gz	RWEFTWIKXVDZLK-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000013669882	525150568	/nfs/dbraw/zinc/15/05/68/525150568.db2.gz	WFMLMJZRODOIMT-UHFFFAOYSA-N	1	0	469.957	3.507	40	0		JHABRO
O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000044847992	527663744	/nfs/dbraw/zinc/66/37/44/527663744.db2.gz	XYDKJSTZYWKBHM-UHFFFAOYSA-N	1	0	476.470	3.527	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1	ZINC000006193160	554517025	/nfs/dbraw/zinc/51/70/25/554517025.db2.gz	KERMBEMTMKYBPH-JOCHJYFZSA-N	1	0	458.672	3.732	40	0		JHABRO
COc1ccc(CCNC(=S)N(CC[NH+](C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC	ZINC000006321784	554531206	/nfs/dbraw/zinc/53/12/06/554531206.db2.gz	MVCDTUFZHQQRDK-UHFFFAOYSA-N	1	0	496.677	3.643	40	0		JHABRO
CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1	ZINC000013501212	555448551	/nfs/dbraw/zinc/44/85/51/555448551.db2.gz	SMNHLSIXSGXQSP-RBBKRZOGSA-N	1	0	494.596	3.708	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccc(C)cc2)cc1	ZINC000013612914	555535074	/nfs/dbraw/zinc/53/50/74/555535074.db2.gz	SYCYEZCXKYWFRI-UHFFFAOYSA-N	1	0	487.666	3.827	40	0		JHABRO
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1	ZINC000010111129	555622115	/nfs/dbraw/zinc/62/21/15/555622115.db2.gz	LKBVWUMCMHXTJB-UHFFFAOYSA-N	1	0	464.031	3.918	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(Oc2ccccc2)cc1	ZINC000010111177	555622177	/nfs/dbraw/zinc/62/21/77/555622177.db2.gz	PNDFNTJSNQRRAL-UHFFFAOYSA-N	1	0	459.612	3.627	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2cccc(Cl)c2)cc1	ZINC000010111212	555622446	/nfs/dbraw/zinc/62/24/46/555622446.db2.gz	QAABDVPEGCABAY-UHFFFAOYSA-N	1	0	494.057	3.926	40	0		JHABRO
O=C(NCCC[NH+]1CCCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	ZINC000010111301	555622549	/nfs/dbraw/zinc/62/25/49/555622549.db2.gz	JWWZEIUFRRIXNV-UHFFFAOYSA-N	1	0	456.052	3.901	40	0		JHABRO
Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1	ZINC000010277338	555671413	/nfs/dbraw/zinc/67/14/13/555671413.db2.gz	AAXFOHXDMCBYKM-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1C	ZINC000010540349	555724016	/nfs/dbraw/zinc/72/40/16/555724016.db2.gz	RBQFCZHJFBKZGN-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)CCCN1C=Cc3cc(OC)c(OC)cc3CC1=O)C2	ZINC000022007298	555861268	/nfs/dbraw/zinc/86/12/68/555861268.db2.gz	AQSRHFYHXNSUAO-OAQYLSRUSA-N	1	0	466.578	3.738	40	0	in-vitro	JHABRO
O=C(COc1ccc(I)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000015614183	555919423	/nfs/dbraw/zinc/91/94/23/555919423.db2.gz	YSQLAJQIVBETIY-UHFFFAOYSA-N	1	0	464.347	3.972	40	0		JHABRO
COCCn1nnnc1[C@H](c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022928840	555980520	/nfs/dbraw/zinc/98/05/20/555980520.db2.gz	XRVXRWHBKMYPSF-MHZLTWQESA-N	1	0	468.605	3.816	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)c(OC)c1	ZINC000022929940	555982843	/nfs/dbraw/zinc/98/28/43/555982843.db2.gz	YFMPISZPQVUIGY-SANMLTNESA-N	1	0	476.625	3.583	40	0		JHABRO
CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1F	ZINC000023471980	556074297	/nfs/dbraw/zinc/07/42/97/556074297.db2.gz	JOKHYLATBAUMMR-HNNXBMFYSA-N	1	0	455.368	3.626	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000024182171	556125511	/nfs/dbraw/zinc/12/55/11/556125511.db2.gz	DRQRIALOLFCZRA-QHCPKHFHSA-N	1	0	476.042	3.795	40	0		JHABRO
COc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000019551228	556353787	/nfs/dbraw/zinc/35/37/87/556353787.db2.gz	IXMKNOXPOPEECO-AREMUKBSSA-N	1	0	476.625	3.778	40	0		JHABRO
COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000019560026	556354187	/nfs/dbraw/zinc/35/41/87/556354187.db2.gz	CJDHWSBFULEDGS-AREMUKBSSA-N	1	0	476.625	3.583	40	0		JHABRO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)[nH]c(=O)n4Cc3ccc(OC)cc3)cc2)CC1	ZINC000008690330	562953807	/nfs/dbraw/zinc/95/38/07/562953807.db2.gz	VDZRKCWCPDTKLA-UHFFFAOYSA-N	1	0	485.588	3.781	40	0		JHABRO
CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCC[N@H+](C)CC4)cc32)n1	ZINC000096156373	569736747	/nfs/dbraw/zinc/73/67/47/569736747.db2.gz	YDXRHQRLZZVTQE-XMMPIXPASA-N	1	0	458.610	3.789	40	0		JHABRO
O=C(c1ccc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1)N1CCN(c2ccccc2)CC1	ZINC000096156178	569736780	/nfs/dbraw/zinc/73/67/80/569736780.db2.gz	FTRBGDAPDOAMSZ-HSZRJFAPSA-N	1	0	466.589	3.681	40	0		JHABRO
CC[NH+](CC)CCNCc1cc(OC)c(OCC(=O)NCc2ccccc2)cc1Br	ZINC000036611749	569777642	/nfs/dbraw/zinc/77/76/42/569777642.db2.gz	LVXVDUACLALSJB-UHFFFAOYSA-N	1	0	478.431	3.584	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000039743202	569811123	/nfs/dbraw/zinc/81/11/23/569811123.db2.gz	RXFKQXVFVYLUOK-UHFFFAOYSA-N	1	0	471.623	3.721	40	0		JHABRO
O=C1[C@H]2[C@H](c3cccnc3)[NH2+][C@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102754958	569821231	/nfs/dbraw/zinc/82/12/31/569821231.db2.gz	JGAFSLQGKQERLF-YSFYHYPLSA-N	1	0	462.347	3.906	40	0		JHABRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507488	569835456	/nfs/dbraw/zinc/83/54/56/569835456.db2.gz	LFDIDPHFTVIRKW-JSAFQYNZSA-N	1	0	470.356	3.839	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218632614	569883485	/nfs/dbraw/zinc/88/34/85/569883485.db2.gz	ZQMRKJPOIJTHCF-NNMXDRDESA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218634660	569883549	/nfs/dbraw/zinc/88/35/49/569883549.db2.gz	FYRLKGWBFZAGTM-CNNODRBYSA-N	1	0	450.988	3.810	40	0		JHABRO
COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1	ZINC000223292761	569906457	/nfs/dbraw/zinc/90/64/57/569906457.db2.gz	BUZBCYZZTNAYRG-VXKWHMMOSA-N	1	0	450.564	3.662	40	0		JHABRO
COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1OC	ZINC000223358079	569908542	/nfs/dbraw/zinc/90/85/42/569908542.db2.gz	JTVZIYWTDWOKGN-MOHJPFBDSA-N	1	0	489.572	3.632	40	0		JHABRO
CN(c1ccc(Cl)c(C(=O)NCCC2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccccc1	ZINC000224337381	569941050	/nfs/dbraw/zinc/94/10/50/569941050.db2.gz	FSYQTGALNUTFFU-UHFFFAOYSA-N	1	0	450.004	3.627	40	0		JHABRO
Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1Cl	ZINC000224509024	569946733	/nfs/dbraw/zinc/94/67/33/569946733.db2.gz	GRGCNDQXPHFISH-SFHVURJKSA-N	1	0	464.031	3.715	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000224517850	569947033	/nfs/dbraw/zinc/94/70/33/569947033.db2.gz	MGUHTQQKLPQMDA-UHFFFAOYSA-N	1	0	499.677	3.715	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	ZINC000224529484	569947329	/nfs/dbraw/zinc/94/73/29/569947329.db2.gz	QSILWNFSJHMURD-XMMPIXPASA-N	1	0	457.640	3.842	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(F)c1	ZINC000224532554	569947512	/nfs/dbraw/zinc/94/75/12/569947512.db2.gz	FGZAGEZLOOXFOL-UHFFFAOYSA-N	1	0	479.593	3.813	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c(Cl)c1	ZINC000224601179	569950121	/nfs/dbraw/zinc/95/01/21/569950121.db2.gz	ROAQCNBIDMFEKO-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc2ccccc21	ZINC000224600701	569950131	/nfs/dbraw/zinc/95/01/31/569950131.db2.gz	USUQRHMRAYEOOC-UHFFFAOYSA-N	1	0	451.592	3.518	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000224609697	569950543	/nfs/dbraw/zinc/95/05/43/569950543.db2.gz	QFDJUWZFPAFMSV-SANMLTNESA-N	1	0	491.613	3.555	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(=O)N1CCCCCC1	ZINC000224611097	569950690	/nfs/dbraw/zinc/95/06/90/569950690.db2.gz	BGKOBGLDXXFQRH-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224622543	569951165	/nfs/dbraw/zinc/95/11/65/569951165.db2.gz	VRAQLBKICYXWPF-AREMUKBSSA-N	1	0	483.678	3.573	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	ZINC000224631178	569951516	/nfs/dbraw/zinc/95/15/16/569951516.db2.gz	HNHHYOFOECSJAL-DEOSSOPVSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1cc(C)cc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1	ZINC000224632956	569951651	/nfs/dbraw/zinc/95/16/51/569951651.db2.gz	AZYDCZUGJCCUQI-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	ZINC000224635312	569951741	/nfs/dbraw/zinc/95/17/41/569951741.db2.gz	BLTXTOXVALBCBX-HSZRJFAPSA-N	1	0	490.069	3.794	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000224691194	569953695	/nfs/dbraw/zinc/95/36/95/569953695.db2.gz	FEGZZAQCSMHKET-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
CCOc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224692900	569953756	/nfs/dbraw/zinc/95/37/56/569953756.db2.gz	DLEWDOGJOZSEPZ-UHFFFAOYSA-N	1	0	487.666	3.934	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)cc1	ZINC000224767310	569956773	/nfs/dbraw/zinc/95/67/73/569956773.db2.gz	UJGMSYHJPNKOHS-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000224832717	569959566	/nfs/dbraw/zinc/95/95/66/569959566.db2.gz	UDPWUZXDMXZPEH-XMMPIXPASA-N	1	0	457.640	3.842	40	0		JHABRO
CC(C)c1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224833692	569959627	/nfs/dbraw/zinc/95/96/27/569959627.db2.gz	RQJSTFFYOPFREW-UHFFFAOYSA-N	1	0	457.640	3.878	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224835559	569959710	/nfs/dbraw/zinc/95/97/10/569959710.db2.gz	KKUIYBKFDKFXII-HHHXNRCGSA-N	1	0	497.705	3.963	40	0		JHABRO
CC(C)Oc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000224843066	569960019	/nfs/dbraw/zinc/96/00/19/569960019.db2.gz	KFPJLHYONNZCRI-UHFFFAOYSA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)CC2)cc1	ZINC000225482479	569998936	/nfs/dbraw/zinc/99/89/36/569998936.db2.gz	UNGPRDNBCVXNQP-UHFFFAOYSA-N	1	0	471.623	3.507	40	0		JHABRO
CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)Cc3cccs3)C2)CC1	ZINC000257203355	570108733	/nfs/dbraw/zinc/10/87/33/570108733.db2.gz	APQATYVFOYGYFM-VWLOTQADSA-N	1	0	490.069	3.796	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409052682	570110395	/nfs/dbraw/zinc/11/03/95/570110395.db2.gz	HRXCOOOFRPFZNI-FTJBHMTQSA-O	1	0	471.581	3.558	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409052835	570110550	/nfs/dbraw/zinc/11/05/50/570110550.db2.gz	INQXRJZAXYHXHB-QEBPDZNZSA-O	1	0	482.919	3.512	40	0		JHABRO
COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409057141	570112304	/nfs/dbraw/zinc/11/23/04/570112304.db2.gz	IUXNOHFELOGZBF-SCXNTYLCSA-O	1	0	472.565	3.843	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409061535	570114609	/nfs/dbraw/zinc/11/46/09/570114609.db2.gz	FDEHQPVYUAUMBL-NZUUJOLLSA-O	1	0	466.920	3.894	40	0		JHABRO
Cc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4c3)C2)cc1NCc1ccccn1	ZINC000257222546	570114848	/nfs/dbraw/zinc/11/48/48/570114848.db2.gz	DTSFCBBEEQWYAN-QFIPXVFZSA-N	1	0	455.562	3.981	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1	ZINC000409063657	570115599	/nfs/dbraw/zinc/11/55/99/570115599.db2.gz	ASXHYLCKMGUOMS-JWQCQUIFSA-O	1	0	459.545	3.688	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000409065281	570116097	/nfs/dbraw/zinc/11/60/97/570116097.db2.gz	FNXJLNJYLYPRPS-RCJLJJIKSA-O	1	0	478.956	3.682	40	0		JHABRO
CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)C2	ZINC000257231984	570117661	/nfs/dbraw/zinc/11/76/61/570117661.db2.gz	GIXNWGOWQIUDFF-JRFVFWCSSA-N	1	0	474.527	3.527	40	0		JHABRO
C[N@@H+]1CC[C@H](n2cc(C(=O)N3CCC(c4nccnc4Oc4ccc(F)cc4)CC3)cn2)C1	ZINC000257258948	570126028	/nfs/dbraw/zinc/12/60/28/570126028.db2.gz	KWEWVRGNUPHICA-FQEVSTJZSA-N	1	0	450.518	3.501	40	0		JHABRO
O=C(C1CC[NH+](CCc2ccccn2)CC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1	ZINC000257266797	570128484	/nfs/dbraw/zinc/12/84/84/570128484.db2.gz	MEOCNETXYLOXAA-QHCPKHFHSA-N	1	0	462.573	3.548	40	0		JHABRO
CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1	ZINC000257280338	570132823	/nfs/dbraw/zinc/13/28/23/570132823.db2.gz	OKLRBRFPGSXJIX-JOCHJYFZSA-N	1	0	458.610	3.538	40	0		JHABRO
CC1(C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)CC[NH+](C2CCCC2)CC1	ZINC000257283640	570133689	/nfs/dbraw/zinc/13/36/89/570133689.db2.gz	OZDOUVLASKBTSK-RXFWQSSRSA-N	1	0	459.581	3.974	40	0		JHABRO
COCC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cc(F)ccc4OC)c3)CCOCC2)C1	ZINC000257291322	570136012	/nfs/dbraw/zinc/13/60/12/570136012.db2.gz	QGMARTCOIICXJX-QFIPXVFZSA-N	1	0	484.612	3.925	40	0		JHABRO
CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000257293331	570136552	/nfs/dbraw/zinc/13/65/52/570136552.db2.gz	QPAZHVDSZCYWOK-AREMUKBSSA-N	1	0	470.013	3.806	40	0		JHABRO
CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C3(Cc4ccc(F)cc4)CC[NH+](C)CC3)C2)n1	ZINC000257305508	570140031	/nfs/dbraw/zinc/14/00/31/570140031.db2.gz	SQIDCRXYWHSZOW-VWLOTQADSA-N	1	0	453.606	3.801	40	0		JHABRO
CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2Oc2ccccc2)CC1	ZINC000257318273	570143963	/nfs/dbraw/zinc/14/39/63/570143963.db2.gz	VNESVLYXYFRTGZ-REWPJTCUSA-N	1	0	489.538	3.779	40	0		JHABRO
COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)c1	ZINC000257319105	570144197	/nfs/dbraw/zinc/14/41/97/570144197.db2.gz	VQTOGZAZXXCXKQ-IZZNHLLZSA-N	1	0	492.620	3.946	40	0		JHABRO
CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1	ZINC000257320995	570144800	/nfs/dbraw/zinc/14/48/00/570144800.db2.gz	VZQNQIZPLGQLEN-MHZLTWQESA-N	1	0	467.610	3.849	40	0		JHABRO
CCn1c(CCCC(=O)N(C)C[C@]2(O)CCN(c3cc(C)nc4ccncc43)C2)nc2ccccc21	ZINC000257332969	570148449	/nfs/dbraw/zinc/14/84/49/570148449.db2.gz	XZMOGDAXWOBHCT-MUUNZHRXSA-N	1	0	486.620	3.730	40	0		JHABRO
COc1ccc(C2(C(=O)N3CC[N@H+](C)C[C@H](Cc4cnc5ccccc5c4)C3)CCOCC2)cc1	ZINC000257337517	570149710	/nfs/dbraw/zinc/14/97/10/570149710.db2.gz	YTCJVXHTGQWXDM-QHCPKHFHSA-N	1	0	473.617	3.925	40	0		JHABRO
O=C(c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12)N1CCN(c2cc[nH+]cc2)CC1	ZINC000306144452	570178759	/nfs/dbraw/zinc/17/87/59/570178759.db2.gz	ZFRAGLAXTKMVHF-UHFFFAOYSA-N	1	0	463.545	3.604	40	0		JHABRO
COC(=O)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)cc1	ZINC000328960065	570179453	/nfs/dbraw/zinc/17/94/53/570179453.db2.gz	AWQKZELRPDVYCO-UHFFFAOYSA-N	1	0	475.471	4.546	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2c(F)cccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329003366	570181072	/nfs/dbraw/zinc/18/10/72/570181072.db2.gz	KLUSQWXBHUFTJO-UHFFFAOYSA-N	1	0	453.415	3.881	40	0		JHABRO
COc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1OC	ZINC000006198529	194420607	/nfs/dbraw/zinc/42/06/07/194420607.db2.gz	WCAGPJAVRQDVBN-UHFFFAOYSA-N	1	0	486.613	3.513	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(OC)cc1	ZINC000012709992	195094442	/nfs/dbraw/zinc/09/44/42/195094442.db2.gz	XRFWEHVMBDIHIX-UHFFFAOYSA-N	1	0	480.565	3.684	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1	ZINC000020637100	195192100	/nfs/dbraw/zinc/19/21/00/195192100.db2.gz	DGQYPFBQLFCCDA-VQTJNVASSA-N	1	0	475.376	3.522	40	0		JHABRO
COc1ccc2c(c1)NC1(CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC1)c1cccn1-2	ZINC000057719420	195358281	/nfs/dbraw/zinc/35/82/81/195358281.db2.gz	YXVPTFOAWQELAR-UHFFFAOYSA-N	1	0	456.546	3.889	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1	ZINC000006193133	520621678	/nfs/dbraw/zinc/62/16/78/520621678.db2.gz	ISEIASLCIPEGHP-QFIPXVFZSA-N	1	0	458.672	3.732	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	ZINC000013675266	521003765	/nfs/dbraw/zinc/00/37/65/521003765.db2.gz	AWKUPEOXAJMMPN-UHFFFAOYSA-N	1	0	464.459	3.778	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1	ZINC000013669345	521008666	/nfs/dbraw/zinc/00/86/66/521008666.db2.gz	VBYYRFKKFITEMW-UHFFFAOYSA-N	1	0	461.603	3.644	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCN(C)C)C[C@@H](c3ccc(F)c(F)c3)N21	ZINC000020504079	523807399	/nfs/dbraw/zinc/80/73/99/523807399.db2.gz	MMEJADACODTISB-FHTWRSQISA-N	1	0	482.575	3.942	40	0	biogenic,in-vitro	JHABRO
CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006197755	524057796	/nfs/dbraw/zinc/05/77/96/524057796.db2.gz	OVUARHPNKXOEQQ-QFIPXVFZSA-N	1	0	458.672	3.678	40	0		JHABRO
Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1	ZINC000044872195	524117492	/nfs/dbraw/zinc/11/74/92/524117492.db2.gz	UENUGTPAWPMCCB-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
Cc1ccccc1CN(c1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1)S(C)(=O)=O	ZINC000013673995	525133146	/nfs/dbraw/zinc/13/31/46/525133146.db2.gz	ITSDEIBUGNLZSY-UHFFFAOYSA-N	1	0	457.640	3.813	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)cc(Cl)c1	ZINC000044857303	525150580	/nfs/dbraw/zinc/15/05/80/525150580.db2.gz	RCPXWZIQKRYEQI-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000019563363	525476942	/nfs/dbraw/zinc/47/69/42/525476942.db2.gz	JVJVDDFAHRILNF-VWLOTQADSA-N	1	0	491.640	3.678	40	0		JHABRO
O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	ZINC000044900239	527664128	/nfs/dbraw/zinc/66/41/28/527664128.db2.gz	WTOCUEWPYFZORF-UHFFFAOYSA-N	1	0	476.470	3.527	40	0		JHABRO
COc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3cccc(C)c3)c(=O)[nH]c2cc1OC	ZINC000000896123	553832575	/nfs/dbraw/zinc/83/25/75/553832575.db2.gz	APKAOPISVYHSOZ-UHFFFAOYSA-N	1	0	454.596	3.614	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1	ZINC000013498920	555425947	/nfs/dbraw/zinc/42/59/47/555425947.db2.gz	BXNIYYOAROFOCU-XMMPIXPASA-N	1	0	480.613	3.836	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1	ZINC000013498921	555425953	/nfs/dbraw/zinc/42/59/53/555425953.db2.gz	BXNIYYOAROFOCU-DEOSSOPVSA-N	1	0	480.613	3.836	40	0		JHABRO
COc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000013632126	555541805	/nfs/dbraw/zinc/54/18/05/555541805.db2.gz	AOAUSPJFSFZCLX-UHFFFAOYSA-N	1	0	494.057	3.782	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)cc1	ZINC000010111134	555622215	/nfs/dbraw/zinc/62/22/15/555622215.db2.gz	DSNPZEHCDZMNPP-UHFFFAOYSA-N	1	0	473.639	3.663	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000010456958	555717287	/nfs/dbraw/zinc/71/72/87/555717287.db2.gz	IRKYVCZGTYCADX-JOCHJYFZSA-N	1	0	473.614	3.529	40	0		JHABRO
Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1	ZINC000010540342	555724021	/nfs/dbraw/zinc/72/40/21/555724021.db2.gz	XCMIAWHZYBSLER-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000010540710	555724334	/nfs/dbraw/zinc/72/43/34/555724334.db2.gz	BZIUUTICGNSUKM-UHFFFAOYSA-N	1	0	464.031	3.774	40	0		JHABRO
C[C@H]1[NH2+][C@@]2(c3ccccc3N(C/C=C\c3ccccc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000015276256	555892077	/nfs/dbraw/zinc/89/20/77/555892077.db2.gz	OURVWVSOGZDWRJ-XISJZKQPSA-N	1	0	477.564	3.735	40	0		JHABRO
O=C1[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1	ZINC000012376447	555964150	/nfs/dbraw/zinc/96/41/50/555964150.db2.gz	HJRPWMQCDYZUOL-DOUCHOMGSA-N	1	0	463.537	3.713	40	0		JHABRO
COc1ccc(CCn2nnnc2[C@H](c2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1OC	ZINC000022929999	555983197	/nfs/dbraw/zinc/98/31/97/555983197.db2.gz	FDIZARDLPZJYKK-SANMLTNESA-N	1	0	494.615	3.722	40	0		JHABRO
CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1F	ZINC000023471978	556074254	/nfs/dbraw/zinc/07/42/54/556074254.db2.gz	JOKHYLATBAUMMR-OAHLLOKOSA-N	1	0	455.368	3.626	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000026109067	556241703	/nfs/dbraw/zinc/24/17/03/556241703.db2.gz	YNKZALLAOIUHEN-UHFFFAOYSA-N	1	0	476.470	3.527	40	0		JHABRO
COc1ccc(CNC[NH2+]C[C@@H](CO)[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1OC	ZINC000019328657	556341732	/nfs/dbraw/zinc/34/17/32/556341732.db2.gz	MBIMZLTYUHQLCC-HOFKKMOUSA-N	1	0	456.627	3.767	40	0		JHABRO
COc1ccc(CNC[NH2+]C[C@H](CO)[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1OC	ZINC000019328654	556341823	/nfs/dbraw/zinc/34/18/23/556341823.db2.gz	MBIMZLTYUHQLCC-YIXXDRMTSA-N	1	0	456.627	3.767	40	0		JHABRO
COc1ccc(NC(=O)N(CC[NH+]2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1	ZINC000008582578	562939736	/nfs/dbraw/zinc/93/97/36/562939736.db2.gz	IALNXYBUDIKKNC-UHFFFAOYSA-N	1	0	480.565	3.684	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1	ZINC000057313798	569596862	/nfs/dbraw/zinc/59/68/62/569596862.db2.gz	ORSITIRAJBFEJX-UHFFFAOYSA-N	1	0	484.666	3.645	40	0		JHABRO
C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1	ZINC000059488275	569605478	/nfs/dbraw/zinc/60/54/78/569605478.db2.gz	HKECJIDXESRMNC-KRWDZBQOSA-N	1	0	458.400	3.655	40	0		JHABRO
CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000033937009	569638480	/nfs/dbraw/zinc/63/84/80/569638480.db2.gz	ZHRRVVJEFKEKGQ-VWNXMTODSA-N	1	0	480.613	3.988	40	0		JHABRO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035844153	569714878	/nfs/dbraw/zinc/71/48/78/569714878.db2.gz	DXTOYFRFQKMZLK-ZVVFGRKBSA-N	1	0	453.901	3.527	40	0		JHABRO
COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H](CCSC)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1	ZINC000036579860	569776835	/nfs/dbraw/zinc/77/68/35/569776835.db2.gz	BZOVMZCCFAAVFI-SVLHDBBDSA-N	1	0	475.998	3.875	40	0		JHABRO
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(C[NH+]3CCCCC3)c1)O2	ZINC000038831927	569808711	/nfs/dbraw/zinc/80/87/11/569808711.db2.gz	DHWPPZZPYVNSRV-RUZDIDTESA-N	1	0	499.677	3.813	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218228709	569883096	/nfs/dbraw/zinc/88/30/96/569883096.db2.gz	LUIVTCSJUVULPM-CNNODRBYSA-N	1	0	495.439	3.919	40	0		JHABRO
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C	ZINC000222959219	569895461	/nfs/dbraw/zinc/89/54/61/569895461.db2.gz	PLSNJXUPBVRUFD-RPWUZVMVSA-N	1	0	455.672	3.995	40	0		JHABRO
COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1	ZINC000223250499	569904852	/nfs/dbraw/zinc/90/48/52/569904852.db2.gz	OIRJYISIYOHGGY-PKTZIBPZSA-N	1	0	463.607	3.583	40	0		JHABRO
COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C	ZINC000223250203	569904860	/nfs/dbraw/zinc/90/48/60/569904860.db2.gz	WRCDYVDVJMFTPT-DHIUTWEWSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223340405	569908035	/nfs/dbraw/zinc/90/80/35/569908035.db2.gz	ZYNJHCRYWIKLHS-LOSJGSFVSA-N	1	0	479.650	3.988	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000224529893	569947377	/nfs/dbraw/zinc/94/73/77/569947377.db2.gz	WKTLGDBNANMJKL-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
COc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000224531798	569947515	/nfs/dbraw/zinc/94/75/15/569947515.db2.gz	BSXDAPGDPQKTBJ-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(=O)N1CCC(C)CC1	ZINC000224615064	569950898	/nfs/dbraw/zinc/95/08/98/569950898.db2.gz	KMSJPVIJDOMYMY-UHFFFAOYSA-N	1	0	485.650	3.642	40	0		JHABRO
CCc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1	ZINC000224633491	569951701	/nfs/dbraw/zinc/95/17/01/569951701.db2.gz	AFAFMCHISAJTHK-UHFFFAOYSA-N	1	0	457.640	3.707	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224668949	569952998	/nfs/dbraw/zinc/95/29/98/569952998.db2.gz	WNTUPVGDYQZXGO-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000224677421	569953296	/nfs/dbraw/zinc/95/32/96/569953296.db2.gz	AKUBTMBXTCAZOG-XMMPIXPASA-N	1	0	457.640	3.842	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	ZINC000224679915	569953430	/nfs/dbraw/zinc/95/34/30/569953430.db2.gz	RCFZATBHWVWDLV-UHFFFAOYSA-N	1	0	487.641	3.670	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000224688183	569953574	/nfs/dbraw/zinc/95/35/74/569953574.db2.gz	NYUSAKOOOLDTRS-UHFFFAOYSA-N	1	0	455.624	3.777	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F	ZINC000224693245	569953773	/nfs/dbraw/zinc/95/37/73/569953773.db2.gz	ORMZBMHBVBOVSL-UHFFFAOYSA-N	1	0	461.603	3.674	40	0		JHABRO
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224700353	569954035	/nfs/dbraw/zinc/95/40/35/569954035.db2.gz	FTLFLPRISGROKM-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	ZINC000224796673	569958032	/nfs/dbraw/zinc/95/80/32/569958032.db2.gz	XWPMRDNWGRMNEX-QFIPXVFZSA-N	1	0	482.021	3.936	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Br)cc1	ZINC000224814095	569958736	/nfs/dbraw/zinc/95/87/36/569958736.db2.gz	PJDVITRXVYHBRV-UHFFFAOYSA-N	1	0	494.455	3.517	40	0		JHABRO
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1	ZINC000225387577	569994350	/nfs/dbraw/zinc/99/43/50/569994350.db2.gz	HDWDESUTQGJCCD-PKTZIBPZSA-N	1	0	490.614	3.816	40	0		JHABRO
CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)cc2O1	ZINC000257198770	570107420	/nfs/dbraw/zinc/10/74/20/570107420.db2.gz	IBBOWHCQFLNGOV-JMLSTEMRSA-N	1	0	480.605	3.936	40	0		JHABRO
CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)n1	ZINC000257200295	570107830	/nfs/dbraw/zinc/10/78/30/570107830.db2.gz	ACTYDVRORPIUIC-VWLOTQADSA-N	1	0	453.606	3.801	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409055741	570111655	/nfs/dbraw/zinc/11/16/55/570111655.db2.gz	PQKXDIPKVMKYAB-GWLUTCJNSA-O	1	0	497.344	3.613	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1	ZINC000409056001	570111774	/nfs/dbraw/zinc/11/17/74/570111774.db2.gz	QPTKFFZGTIQIOM-IZZNHLLZSA-O	1	0	455.582	3.857	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409057760	570112559	/nfs/dbraw/zinc/11/25/59/570112559.db2.gz	MCRGNSOEFSRBLA-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1	ZINC000409059584	570113392	/nfs/dbraw/zinc/11/33/92/570113392.db2.gz	SFORDMNDNDEOQY-IZZNHLLZSA-O	1	0	455.582	3.857	40	0		JHABRO
Cc1n[nH]cc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257222880	570114907	/nfs/dbraw/zinc/11/49/07/570114907.db2.gz	DUYRWAFMBYNSPF-XMMPIXPASA-N	1	0	461.006	3.590	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409075740	570119986	/nfs/dbraw/zinc/11/99/86/570119986.db2.gz	ZYTNATRQFKBFAV-RCJLJJIKSA-O	1	0	478.956	3.682	40	0		JHABRO
Cc1nonc1COc1ccccc1C(=O)N1CC[N@@H+](C)C[C@@H](Cc2ccc3ncccc3c2)C1	ZINC000257245439	570121759	/nfs/dbraw/zinc/12/17/59/570121759.db2.gz	IPNRMWVYWUJILH-OAQYLSRUSA-N	1	0	471.561	3.752	40	0		JHABRO
CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cccc(OCC[NH+]4CCCC4)c3)CC[C@H]21	ZINC000257252724	570123986	/nfs/dbraw/zinc/12/39/86/570123986.db2.gz	JVXFTVBCMCWPTJ-ZONZVBGPSA-N	1	0	461.606	3.638	40	0		JHABRO
Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)n1	ZINC000257262601	570127180	/nfs/dbraw/zinc/12/71/80/570127180.db2.gz	LMAVIVDMASXJPO-NRFANRHFSA-N	1	0	473.577	3.962	40	0		JHABRO
CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NC(c1ccccc1)c1ccccc1)C2	ZINC000257266976	570128518	/nfs/dbraw/zinc/12/85/18/570128518.db2.gz	MFJUPCKXKMZXKG-UPHHSBJESA-N	1	0	496.655	3.776	40	0		JHABRO
C[C@]1(O)CCN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1Oc1ccc(Cl)cc1	ZINC000257267801	570128883	/nfs/dbraw/zinc/12/88/83/570128883.db2.gz	MITXWRIZQLUUIT-ZCYQVOJMSA-N	1	0	458.986	3.859	40	0		JHABRO
O=C(CN1CC[C@@]2(CCC[N@@H+]2CCc2ccccc2)[C@@H](O)C1)Nc1ccc(Br)cc1	ZINC000257267892	570128924	/nfs/dbraw/zinc/12/89/24/570128924.db2.gz	MJHFTDZSBMCXJR-UPVQGACJSA-N	1	0	472.427	3.532	40	0		JHABRO
CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCCCC1	ZINC000257274642	570131028	/nfs/dbraw/zinc/13/10/28/570131028.db2.gz	NLYKORJAOWECKT-QHCPKHFHSA-N	1	0	474.609	3.784	40	0		JHABRO
COCC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cccc(OC)c4)c3)CCOCC2)C1	ZINC000257300265	570138466	/nfs/dbraw/zinc/13/84/66/570138466.db2.gz	RTRDRCQMSHDZQW-HSZRJFAPSA-N	1	0	466.622	3.786	40	0		JHABRO
Cc1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c(C)s1	ZINC000257316566	570143501	/nfs/dbraw/zinc/14/35/01/570143501.db2.gz	VGCDZPNDABGMHS-VWLOTQADSA-N	1	0	492.085	3.832	40	0		JHABRO
Cc1cc(C(=O)N2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257323547	570145468	/nfs/dbraw/zinc/14/54/68/570145468.db2.gz	WKUODTUMKKKOFI-XMMPIXPASA-N	1	0	465.642	3.684	40	0		JHABRO
CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1	ZINC000257326327	570146366	/nfs/dbraw/zinc/14/63/66/570146366.db2.gz	WWURQHLWIPTOCP-MHZLTWQESA-N	1	0	486.584	3.513	40	0		JHABRO
Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1O	ZINC000257327820	570146822	/nfs/dbraw/zinc/14/68/22/570146822.db2.gz	XCVZPZJCTBGCDQ-UBFVSLLYSA-N	1	0	454.615	3.673	40	0		JHABRO
CNC(=O)C1(CC2CC[NH2+]CC2)CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1	ZINC000257335765	570149172	/nfs/dbraw/zinc/14/91/72/570149172.db2.gz	YLTUBBTYPAGMTQ-UHFFFAOYSA-N	1	0	467.585	3.763	40	0		JHABRO
O=C(CN1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000257343832	570151498	/nfs/dbraw/zinc/15/14/98/570151498.db2.gz	ZUPQJAKNVLRZDT-ZNZIZOMTSA-N	1	0	496.677	3.757	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccn2)n1	ZINC000328967266	570179813	/nfs/dbraw/zinc/17/98/13/570179813.db2.gz	CSLHTVXPWWRLNV-UHFFFAOYSA-N	1	0	452.868	3.652	40	0		JHABRO
Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1	ZINC000329012060	570181478	/nfs/dbraw/zinc/18/14/78/570181478.db2.gz	MIEZIHNCDZRJKH-UHFFFAOYSA-N	1	0	455.404	3.869	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccncc2)n1	ZINC000329042527	570182763	/nfs/dbraw/zinc/18/27/63/570182763.db2.gz	SNCUJBYMBNVZSE-UHFFFAOYSA-N	1	0	481.320	3.881	40	0		JHABRO
Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3ccncc3)c4=O)C2)c2ccccc21	ZINC000003841947	194363849	/nfs/dbraw/zinc/36/38/49/194363849.db2.gz	UHDRPALPPOFTQE-AZUAARDMSA-N	1	0	453.546	3.607	40	0	biogenic,in-vitro	JHABRO
CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006193146	194419641	/nfs/dbraw/zinc/41/96/41/194419641.db2.gz	YNPFEZVIIOYXRK-JOCHJYFZSA-N	1	0	474.671	3.514	40	0		JHABRO
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1cccc(Cl)c1	ZINC000012710729	195094702	/nfs/dbraw/zinc/09/47/02/195094702.db2.gz	UHNNOODEJFDXLL-UHFFFAOYSA-N	1	0	456.930	3.896	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1cccc(C)c1	ZINC000020801562	195227145	/nfs/dbraw/zinc/22/71/45/195227145.db2.gz	PWKUDDAUAZEOHO-LEWJYISDSA-N	1	0	488.510	3.542	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)NC1CCCCC1	ZINC000006193308	520646087	/nfs/dbraw/zinc/64/60/87/520646087.db2.gz	CLHGMMJKQQOMEE-UHFFFAOYSA-N	1	0	474.671	3.896	40	0		JHABRO
COc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1	ZINC000006135716	524664636	/nfs/dbraw/zinc/66/46/36/524664636.db2.gz	RNEMPTRVRMEVQA-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CCN(C)CC1)C2	ZINC000049171813	526538706	/nfs/dbraw/zinc/53/87/06/526538706.db2.gz	VJENEKMFSOKCOW-ZEQRLZLVSA-N	1	0	463.626	3.670	40	0	biogenic,in-vitro	JHABRO
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1	ZINC000013673173	526702420	/nfs/dbraw/zinc/70/24/20/526702420.db2.gz	ANWXCBHKYNXOQI-UHFFFAOYSA-N	1	0	464.031	3.918	40	0		JHABRO
O=C1[C@@H]2[C@@H](Cc3ccccc3)[NH2+][C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000013778547	527111179	/nfs/dbraw/zinc/11/11/79/527111179.db2.gz	JGAFSLQGKQERLF-CZYKHXBRSA-N	1	0	462.347	3.906	40	0		JHABRO
O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	ZINC000022525980	527664222	/nfs/dbraw/zinc/66/42/22/527664222.db2.gz	KAKBURISNXNJPE-UHFFFAOYSA-N	1	0	476.470	3.527	40	0		JHABRO
COc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O	ZINC000096268988	537048121	/nfs/dbraw/zinc/04/81/21/537048121.db2.gz	ARBOOIHJHIINQP-SCTDOJESSA-N	1	0	465.594	3.556	40	0	biogenic,in-vitro	JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccccc3OC)cc2c1	ZINC000000880702	553817501	/nfs/dbraw/zinc/81/75/01/553817501.db2.gz	PFSABXXWOBUDRT-UHFFFAOYSA-N	1	0	454.596	3.696	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)NCCc3ccccc3)cc2c1	ZINC000000928157	553865878	/nfs/dbraw/zinc/86/58/78/553865878.db2.gz	CIOYHENGSKNBIH-UHFFFAOYSA-N	1	0	478.662	3.942	40	0		JHABRO
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(F)cc1	ZINC000006198473	554519803	/nfs/dbraw/zinc/51/98/03/554519803.db2.gz	DIBCDGWMTAKKAR-UHFFFAOYSA-N	1	0	456.543	3.547	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O	ZINC000013498975	555426873	/nfs/dbraw/zinc/42/68/73/555426873.db2.gz	PRWCOTLGXSUTQZ-DEOSSOPVSA-N	1	0	475.597	3.572	40	0		JHABRO
Cc1ccc(NC(=O)N(CC[NH+]2CCCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	ZINC000013511813	555483493	/nfs/dbraw/zinc/48/34/93/555483493.db2.gz	DIDYXPVIZLLBGA-UHFFFAOYSA-N	1	0	462.550	3.738	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(C)c(Cl)c2)cc1	ZINC000013670734	555561832	/nfs/dbraw/zinc/56/18/32/555561832.db2.gz	CVMFADFTUXHHNC-UHFFFAOYSA-N	1	0	464.031	3.754	40	0		JHABRO
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCC(C)CC3)c2)CC1	ZINC000013671018	555562519	/nfs/dbraw/zinc/56/25/19/555562519.db2.gz	CDURNDPWMKMMGX-UHFFFAOYSA-N	1	0	456.052	3.612	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(C)cc2)cc1	ZINC000010111190	555622120	/nfs/dbraw/zinc/62/21/20/555622120.db2.gz	WITZXQMECRQHFG-UHFFFAOYSA-N	1	0	487.666	3.971	40	0		JHABRO
C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	ZINC000010111362	555622801	/nfs/dbraw/zinc/62/28/01/555622801.db2.gz	JVWHQVRBQMFAER-UHFFFAOYSA-N	1	0	477.936	3.622	40	0		JHABRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1	ZINC000020110455	555646506	/nfs/dbraw/zinc/64/65/06/555646506.db2.gz	FJQYSSQYLKVBMA-HDICACEKSA-N	1	0	488.069	3.505	40	0		JHABRO
COc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000010277358	555671417	/nfs/dbraw/zinc/67/14/17/555671417.db2.gz	BXYJQQRJGUSRMK-UHFFFAOYSA-N	1	0	480.030	3.536	40	0		JHABRO
COc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	ZINC000010277768	555671754	/nfs/dbraw/zinc/67/17/54/555671754.db2.gz	JPLMKRIGYVVCPF-UHFFFAOYSA-N	1	0	494.057	3.845	40	0		JHABRO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000018835611	556324559	/nfs/dbraw/zinc/32/45/59/556324559.db2.gz	PKOUMAUGZBQILQ-PWRODBHTSA-N	1	0	476.687	3.624	40	0		JHABRO
CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1	ZINC000030871364	556385205	/nfs/dbraw/zinc/38/52/05/556385205.db2.gz	NBHGPNZAMQAMIE-UHFFFAOYSA-N	1	0	461.603	3.848	40	0		JHABRO
CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)c1	ZINC000057316135	569597471	/nfs/dbraw/zinc/59/74/71/569597471.db2.gz	YEQSSVMLODKYFN-UHFFFAOYSA-N	1	0	484.622	3.531	40	0		JHABRO
COc1ccccc1N1CCN(C(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1	ZINC000059437066	569603911	/nfs/dbraw/zinc/60/39/11/569603911.db2.gz	IWZMWTNRIPFFBD-UHFFFAOYSA-N	1	0	484.644	3.975	40	0		JHABRO
COc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1	ZINC000033937235	569638688	/nfs/dbraw/zinc/63/86/88/569638688.db2.gz	KCFRSTSTGQIPAY-ISKFKSNPSA-N	1	0	480.613	3.844	40	0		JHABRO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000034828966	569663033	/nfs/dbraw/zinc/66/30/33/569663033.db2.gz	JJHRXZGFKLPUEV-PLOUGOBLSA-N	1	0	453.901	3.527	40	0		JHABRO
Cc1nc(-c2nc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn32)cn1Cc1ccc(F)cc1F	ZINC000096155203	569736641	/nfs/dbraw/zinc/73/66/41/569736641.db2.gz	SYBVHAGJTYIFEE-UHFFFAOYSA-N	1	0	464.520	3.610	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000038772872	569807797	/nfs/dbraw/zinc/80/77/97/569807797.db2.gz	ITSRFAIWQRYHOY-IBGZPJMESA-N	1	0	471.623	3.964	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000044871843	569839612	/nfs/dbraw/zinc/83/96/12/569839612.db2.gz	BWPGIFYPYJLZQB-SANMLTNESA-N	1	0	491.613	3.555	40	0		JHABRO
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)C(C)(C)C)c(OC)c1	ZINC000103965284	569839645	/nfs/dbraw/zinc/83/96/45/569839645.db2.gz	ATOYITPMNRJLAL-GPJHCHHRSA-N	1	0	460.530	3.834	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218216979	569883020	/nfs/dbraw/zinc/88/30/20/569883020.db2.gz	NYGLKNUWDMPYNP-BBTUJRGHSA-N	1	0	481.412	3.611	40	0		JHABRO
COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1	ZINC000223250553	569904876	/nfs/dbraw/zinc/90/48/76/569904876.db2.gz	OIRJYISIYOHGGY-XZOQPEGZSA-N	1	0	463.607	3.583	40	0		JHABRO
COc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(=O)(=O)c2ccccc2)c1	ZINC000224593900	569949887	/nfs/dbraw/zinc/94/98/87/569949887.db2.gz	JVLRFJVBRRIYJC-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)cc(Cl)c1	ZINC000224599647	569950037	/nfs/dbraw/zinc/95/00/37/569950037.db2.gz	MAYLMFBIQJUWGN-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224613487	569950767	/nfs/dbraw/zinc/95/07/67/569950767.db2.gz	PCCRFURHLSOOLH-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000224628915	569951460	/nfs/dbraw/zinc/95/14/60/569951460.db2.gz	GDVGOKIXSBBJQJ-UHFFFAOYSA-N	1	0	455.624	3.777	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C(=O)N1CCCCC1	ZINC000224666575	569952887	/nfs/dbraw/zinc/95/28/87/569952887.db2.gz	MNOUJTPZZNHKAH-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
CC(C)c1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224678531	569953359	/nfs/dbraw/zinc/95/33/59/569953359.db2.gz	WZTYRWVLDZVNMI-UHFFFAOYSA-N	1	0	457.640	3.878	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	ZINC000224679986	569953427	/nfs/dbraw/zinc/95/34/27/569953427.db2.gz	WTDREPFPGMCONI-UHFFFAOYSA-N	1	0	487.641	3.670	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(F)c1	ZINC000224693461	569953784	/nfs/dbraw/zinc/95/37/84/569953784.db2.gz	BGYDEIJVIJVXFU-UHFFFAOYSA-N	1	0	479.593	3.813	40	0		JHABRO
CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(Cl)c1)S(C)(=O)=O	ZINC000224694724	569953828	/nfs/dbraw/zinc/95/38/28/569953828.db2.gz	AZDCGKQIQDCCLB-UHFFFAOYSA-N	1	0	450.004	3.652	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(C)c1)S(C)(=O)=O	ZINC000224844641	569960057	/nfs/dbraw/zinc/96/00/57/569960057.db2.gz	UKFUCXSINLJVHQ-XMMPIXPASA-N	1	0	457.640	3.842	40	0		JHABRO
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1	ZINC000225387622	569994443	/nfs/dbraw/zinc/99/44/43/569994443.db2.gz	HDWDESUTQGJCCD-XZOQPEGZSA-N	1	0	490.614	3.816	40	0		JHABRO
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1	ZINC000225387661	569994465	/nfs/dbraw/zinc/99/44/65/569994465.db2.gz	HDWDESUTQGJCCD-DHIUTWEWSA-N	1	0	490.614	3.816	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242548810	570053965	/nfs/dbraw/zinc/05/39/65/570053965.db2.gz	LUIVTCSJUVULPM-JQVVWYNYSA-N	1	0	495.439	3.919	40	0		JHABRO
O=C(c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)N1CCN(Cc2ccccc2)CC1	ZINC000408872711	570060102	/nfs/dbraw/zinc/06/01/02/570060102.db2.gz	ORIQXLOBEIREOD-UHFFFAOYSA-N	1	0	454.618	3.967	40	0		JHABRO
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000252514504	570082729	/nfs/dbraw/zinc/08/27/29/570082729.db2.gz	CQYWBLJYLUSQRQ-XQBPLPMBSA-N	1	0	466.987	3.511	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409052837	570110527	/nfs/dbraw/zinc/11/05/27/570110527.db2.gz	INQXRJZAXYHXHB-XQJDIBTISA-O	1	0	482.919	3.512	40	0		JHABRO
CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409059620	570113515	/nfs/dbraw/zinc/11/35/15/570113515.db2.gz	REBLCIGUYHXKBV-GOTSBHOMSA-O	1	0	465.936	3.561	40	0		JHABRO
COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000409061391	570114469	/nfs/dbraw/zinc/11/44/69/570114469.db2.gz	ZHQJHEFBGUKACE-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
CC[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1	ZINC000257233289	570118008	/nfs/dbraw/zinc/11/80/08/570118008.db2.gz	GOQIYBQKESVYJT-HSZRJFAPSA-N	1	0	485.076	3.944	40	0		JHABRO
CC(=O)N[C@]12CN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2	ZINC000257236256	570119061	/nfs/dbraw/zinc/11/90/61/570119061.db2.gz	HBJDQBCLBXKGNO-CRXYYGHGSA-N	1	0	484.600	3.959	40	0		JHABRO
Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)sc2ncn(C)c(=O)c12	ZINC000257239459	570120025	/nfs/dbraw/zinc/12/00/25/570120025.db2.gz	HPIKNLUCVRXGNF-BLLMLAHUSA-N	1	0	462.619	3.660	40	0		JHABRO
C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)c1cocn1	ZINC000257242653	570120918	/nfs/dbraw/zinc/12/09/18/570120918.db2.gz	IDMXGVIQJULZOK-YJMBLLCNSA-N	1	0	475.467	3.505	40	0		JHABRO
COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccnc(N4CCCCC4)n3)C2)cc1	ZINC000257243306	570121055	/nfs/dbraw/zinc/12/10/55/570121055.db2.gz	IGHQMGMCZPBSKV-HXUWFJFHSA-N	1	0	459.598	3.894	40	0		JHABRO
Cc1ccc(Oc2cccc([C@H]3CN(C(=O)c4ccnc(N5CC[NH+](C)CC5)c4)CCO3)n2)cc1	ZINC000257252945	570123966	/nfs/dbraw/zinc/12/39/66/570123966.db2.gz	JWWBSHYUYPZHSV-XMMPIXPASA-N	1	0	473.577	3.543	40	0		JHABRO
CC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)NCC[NH+](C)C)CCOCC2)c1	ZINC000257260900	570126535	/nfs/dbraw/zinc/12/65/35/570126535.db2.gz	LEYRWGJMUBRMRZ-UHFFFAOYSA-N	1	0	451.611	3.509	40	0		JHABRO
COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1	ZINC000257268156	570128965	/nfs/dbraw/zinc/12/89/65/570128965.db2.gz	MKMJBJLJISWRTQ-KAYWLYCHSA-N	1	0	471.601	3.629	40	0		JHABRO
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cccnc3)C2)ccc1Cl	ZINC000257304856	570139846	/nfs/dbraw/zinc/13/98/46/570139846.db2.gz	SNKKBXJHVUFZQQ-VWLOTQADSA-N	1	0	458.002	3.954	40	0		JHABRO
Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1	ZINC000257312441	570142317	/nfs/dbraw/zinc/14/23/17/570142317.db2.gz	UNYQMKYFSFBYRT-GOSISDBHSA-N	1	0	473.499	3.861	40	0		JHABRO
Cc1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)c(C)s1	ZINC000257316565	570143527	/nfs/dbraw/zinc/14/35/27/570143527.db2.gz	VGCDZPNDABGMHS-RUZDIDTESA-N	1	0	492.085	3.832	40	0		JHABRO
CN(C)c1cc([C@@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)C2)ccn1	ZINC000257319187	570144202	/nfs/dbraw/zinc/14/42/02/570144202.db2.gz	VRDSMENWGSJEQA-JOCHJYFZSA-N	1	0	466.601	3.864	40	0		JHABRO
COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)n1	ZINC000257330498	570147709	/nfs/dbraw/zinc/14/77/09/570147709.db2.gz	XORGSNGUKZRMGN-QFIPXVFZSA-N	1	0	471.605	3.924	40	0		JHABRO
COc1ccccc1[C@H]1CN(C(=O)C2(C)CC[NH+](CCc3ccccc3)CC2)CCN1C(C)=O	ZINC000257330967	570147809	/nfs/dbraw/zinc/14/78/09/570147809.db2.gz	XQUVDAUREQEOPN-RUZDIDTESA-N	1	0	463.622	3.772	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000260801542	570158526	/nfs/dbraw/zinc/15/85/26/570158526.db2.gz	BUIXEBVCBNVJMB-AZUAARDMSA-N	1	0	456.052	3.512	40	0		JHABRO
CCOc1ccc(N([C@H](CC)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000260899849	570162685	/nfs/dbraw/zinc/16/26/85/570162685.db2.gz	QJXDFTMXSUWAFW-RUZDIDTESA-N	1	0	487.666	3.932	40	0		JHABRO
COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)NCc3ccccc3)n(C)n2)cc1	ZINC000008635389	123058796	/nfs/dbraw/zinc/05/87/96/123058796.db2.gz	CSHAFDXSWGLQRB-ZDXQCDESSA-N	1	0	459.594	3.773	40	0	biogenic,in-vitro	JHABRO
CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccc(C(F)(F)F)c5)ccc43)C2)CC1	ZINC000012601711	195047011	/nfs/dbraw/zinc/04/70/11/195047011.db2.gz	HBHITWDTZSLANA-PKOBYXMFSA-N	1	0	459.512	3.964	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)sc1NC(=O)CCN1CC[NH+](CC)CC1	ZINC000096305837	130055626	/nfs/dbraw/zinc/05/56/26/130055626.db2.gz	FYEXOAWTRMVJED-UHFFFAOYSA-N	1	0	475.611	3.575	40	0		JHABRO
CCOc1c(Br)cc(Br)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1	ZINC000016688077	520591387	/nfs/dbraw/zinc/59/13/87/520591387.db2.gz	KMXFJJUPWMULRH-UHFFFAOYSA-N	1	0	492.233	3.590	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NC[C@@H]1CCCO1	ZINC000006162582	520593896	/nfs/dbraw/zinc/59/38/96/520593896.db2.gz	ASMXUTOPDZNZNN-NRFANRHFSA-N	1	0	458.672	3.732	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1	ZINC000006193127	520620701	/nfs/dbraw/zinc/62/07/01/520620701.db2.gz	MVZDTHUOYIXFKW-QFIPXVFZSA-N	1	0	458.672	3.732	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006196706	521283452	/nfs/dbraw/zinc/28/34/52/521283452.db2.gz	KLEKVHRNMUJTNE-UHFFFAOYSA-N	1	0	452.624	3.755	40	0		JHABRO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1	ZINC000016214792	522456766	/nfs/dbraw/zinc/45/67/66/522456766.db2.gz	VIMOHBDYQZQITC-UHFFFAOYSA-N	1	0	460.983	3.907	40	0		JHABRO
COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4C4CC[NH+](C)CC4)n3)cn2)cc1	ZINC000049155231	523747620	/nfs/dbraw/zinc/74/76/20/523747620.db2.gz	YHHUODYVCLGANO-NRFANRHFSA-N	1	0	462.554	3.624	40	0	biogenic,in-vitro	JHABRO
COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1	ZINC000006408339	524013234	/nfs/dbraw/zinc/01/32/34/524013234.db2.gz	WEBKGSYNBSYCFX-UHFFFAOYSA-N	1	0	452.624	3.674	40	0		JHABRO
COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)Cc3ccccc3)on2)cc1	ZINC000008623778	524054322	/nfs/dbraw/zinc/05/43/22/524054322.db2.gz	QVNNNWHQVXSOFN-ZEQRLZLVSA-N	1	0	476.621	3.790	40	0	biogenic,in-vitro	JHABRO
COc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1Cl	ZINC000044871994	524366614	/nfs/dbraw/zinc/36/66/14/524366614.db2.gz	YODUFSSEJHXOSW-UHFFFAOYSA-N	1	0	494.057	3.807	40	0		JHABRO
Cc1ccc(CN(c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000013675476	524422343	/nfs/dbraw/zinc/42/23/43/524422343.db2.gz	DLMGADCPHKHDMH-UHFFFAOYSA-N	1	0	457.640	3.813	40	0		JHABRO
COc1ccccc1NC(=S)N(CCC[NH+](C)C)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O	ZINC000006135715	524632506	/nfs/dbraw/zinc/63/25/06/524632506.db2.gz	OWYKFPPZRDRSNS-UHFFFAOYSA-N	1	0	484.622	3.705	40	0		JHABRO
Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	ZINC000044873844	524892750	/nfs/dbraw/zinc/89/27/50/524892750.db2.gz	XJFSYEZMYGYKGY-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000016507494	526656461	/nfs/dbraw/zinc/65/64/61/526656461.db2.gz	WBMJIUMSSOKALX-UHFFFAOYSA-N	1	0	473.614	3.529	40	0		JHABRO
CCOc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1	ZINC000006089908	554504116	/nfs/dbraw/zinc/50/41/16/554504116.db2.gz	QIUWCBOWEQKXFT-UHFFFAOYSA-N	1	0	482.606	3.806	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O	ZINC000013494773	555406385	/nfs/dbraw/zinc/40/63/85/555406385.db2.gz	XJLHOXMXSQWGKH-QHCPKHFHSA-N	1	0	488.592	3.848	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000013498551	555422096	/nfs/dbraw/zinc/42/20/96/555422096.db2.gz	VPOUBPUVBNUTGQ-VWLOTQADSA-N	1	0	488.592	3.786	40	0		JHABRO
Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCCN1C(=O)Cc1c(F)cccc1Cl	ZINC000013565257	555501510	/nfs/dbraw/zinc/50/15/10/555501510.db2.gz	NUHLPOJMGDLUBH-SFHVURJKSA-N	1	0	451.999	3.702	40	0		JHABRO
COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1nnnn1-c1ccc(C)cc1	ZINC000022108204	555875324	/nfs/dbraw/zinc/87/53/24/555875324.db2.gz	CVHIVKTVWLYNQB-UHFFFAOYSA-N	1	0	459.506	3.577	40	0		JHABRO
CCOc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929926	555982739	/nfs/dbraw/zinc/98/27/39/555982739.db2.gz	QYOIAANYWZWXII-SANMLTNESA-N	1	0	460.626	3.964	40	0		JHABRO
Cc1cc(C[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl	ZINC000027530964	556291357	/nfs/dbraw/zinc/29/13/57/556291357.db2.gz	ZMUXPASZAVFSHP-SFTDATJTSA-N	1	0	467.437	3.571	40	0		JHABRO
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CCC[N@@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O	ZINC000018209957	556310466	/nfs/dbraw/zinc/31/04/66/556310466.db2.gz	HJRPWMQCDYZUOL-ANARSLNQSA-N	1	0	463.537	3.713	40	0		JHABRO
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000019220730	556334657	/nfs/dbraw/zinc/33/46/57/556334657.db2.gz	QGFLGICJRBJZPA-HSZRJFAPSA-N	1	0	463.630	3.618	40	0		JHABRO
COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000019367139	556346223	/nfs/dbraw/zinc/34/62/23/556346223.db2.gz	QTLRAYBBJLKXOP-DEOSSOPVSA-N	1	0	450.562	3.519	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1	ZINC000057312791	569596305	/nfs/dbraw/zinc/59/63/05/569596305.db2.gz	DFEDZODFOGUQIO-WEVVVXLNSA-N	1	0	488.382	3.648	40	0		JHABRO
COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000035843306	569714441	/nfs/dbraw/zinc/71/44/41/569714441.db2.gz	UJPDBNVSNRGNTJ-VLTRPUBQSA-N	1	0	479.964	3.705	40	0		JHABRO
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CCC[N@@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O	ZINC000100218276	569755748	/nfs/dbraw/zinc/75/57/48/569755748.db2.gz	HJRPWMQCDYZUOL-GBXYDCMPSA-N	1	0	463.537	3.713	40	0		JHABRO
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCCCC3)c1)O2	ZINC000038831928	569808755	/nfs/dbraw/zinc/80/87/55/569808755.db2.gz	DHWPPZZPYVNSRV-VWLOTQADSA-N	1	0	499.677	3.813	40	0		JHABRO
Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]31)C(=O)N2	ZINC000103518124	569835615	/nfs/dbraw/zinc/83/56/15/569835615.db2.gz	LLJXKGUBFDFFLN-RTAAPDIRSA-N	1	0	494.526	3.783	40	0		JHABRO
COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C12CCCC2	ZINC000170613714	569872922	/nfs/dbraw/zinc/87/29/22/569872922.db2.gz	ODHLAEZTVHTILR-QDSKXPNFSA-N	1	0	453.627	3.566	40	0		JHABRO
CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218238017	569883111	/nfs/dbraw/zinc/88/31/11/569883111.db2.gz	BOWLFEHJDBTTOD-AOIWGVFYSA-N	1	0	472.788	3.550	40	0		JHABRO
COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1	ZINC000223250859	569904947	/nfs/dbraw/zinc/90/49/47/569904947.db2.gz	XWZWUIVNAJJAKP-GOTSBHOMSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223340346	569907996	/nfs/dbraw/zinc/90/79/96/569907996.db2.gz	ZYNJHCRYWIKLHS-RPBOFIJWSA-N	1	0	479.650	3.988	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	ZINC000224529823	569947376	/nfs/dbraw/zinc/94/73/76/569947376.db2.gz	NHHJOTCTAUSDCR-JOCHJYFZSA-N	1	0	461.603	3.673	40	0		JHABRO
CCOc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000224532025	569947466	/nfs/dbraw/zinc/94/74/66/569947466.db2.gz	ARVMCTBCHNLMAL-UHFFFAOYSA-N	1	0	487.666	3.934	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1	ZINC000224627343	569951410	/nfs/dbraw/zinc/95/14/10/569951410.db2.gz	RUHUCZGAJAKVGJ-UHFFFAOYSA-N	1	0	464.031	3.798	40	0		JHABRO
CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224655661	569952412	/nfs/dbraw/zinc/95/24/12/569952412.db2.gz	HPUXGBRGTCUFSL-FQEVSTJZSA-N	1	0	473.639	3.542	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000224687896	569953580	/nfs/dbraw/zinc/95/35/80/569953580.db2.gz	GCPAKQUWVDXJCJ-UHFFFAOYSA-N	1	0	469.651	3.918	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)C2)cc1	ZINC000224704295	569954208	/nfs/dbraw/zinc/95/42/08/569954208.db2.gz	AHJLHLXAPVGDPK-XMMPIXPASA-N	1	0	469.651	3.698	40	0		JHABRO
COc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000224760269	569956438	/nfs/dbraw/zinc/95/64/38/569956438.db2.gz	ZVWSGOLFPRAYSS-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
Cc1cccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1C	ZINC000224797657	569958080	/nfs/dbraw/zinc/95/80/80/569958080.db2.gz	CKWWZWIZBLUVKK-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
Cc1cc(C)c(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c(C)c1	ZINC000224833831	569959610	/nfs/dbraw/zinc/95/96/10/569959610.db2.gz	XHTGIMCAKIPKKX-UHFFFAOYSA-N	1	0	457.640	3.680	40	0		JHABRO
Cc1ccccc1N(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224846546	569960159	/nfs/dbraw/zinc/96/01/59/569960159.db2.gz	VERCDVKUHRJVCF-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
O=c1sc2cc(S(=O)(=O)NCCC[NH+]3CCCC3)ccc2n1Cc1ccccc1Cl	ZINC000225802633	570022513	/nfs/dbraw/zinc/02/25/13/570022513.db2.gz	CARPELJSABNLPO-UHFFFAOYSA-N	1	0	466.028	3.529	40	0		JHABRO
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC(C)C)CC2=O	ZINC000253394108	570095783	/nfs/dbraw/zinc/09/57/83/570095783.db2.gz	AFXSBTUYMVBNIS-XVKSFEOWSA-N	1	0	455.643	3.816	40	0		JHABRO
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@H]4C3)cc2c1	ZINC000253499307	570100906	/nfs/dbraw/zinc/10/09/06/570100906.db2.gz	XNXAZYSOQWRUJH-URXFXBBRSA-N	1	0	461.614	3.864	40	0		JHABRO
CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O	ZINC000257199196	570107595	/nfs/dbraw/zinc/10/75/95/570107595.db2.gz	WFJPDQLFFXTXBG-BEPULHBCSA-N	1	0	460.622	3.942	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1	ZINC000409063691	570115577	/nfs/dbraw/zinc/11/55/77/570115577.db2.gz	AZXYMYHXLMORJS-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000409065180	570116065	/nfs/dbraw/zinc/11/60/65/570116065.db2.gz	DWJKQHCXQDMENX-BJKOFHAPSA-O	1	0	461.973	3.731	40	0		JHABRO
COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccnc(N4CCCCC4)n3)C2)cc1	ZINC000257243305	570121008	/nfs/dbraw/zinc/12/10/08/570121008.db2.gz	IGHQMGMCZPBSKV-FQEVSTJZSA-N	1	0	459.598	3.894	40	0		JHABRO
O=C(c1ccccc1OCCN1CCOCC1)N1CCC[C@@H](Cc2ccc3cc[nH]c3n2)CC1	ZINC000257244692	570121448	/nfs/dbraw/zinc/12/14/48/570121448.db2.gz	IMJNNWONOKPOJV-OAQYLSRUSA-N	1	0	462.594	3.759	40	0		JHABRO
C[NH+]1CCC(Cc2ccccc2F)(C(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)O3)CC1	ZINC000257250768	570123358	/nfs/dbraw/zinc/12/33/58/570123358.db2.gz	JNXJWKSZFZIAPL-HHHXNRCGSA-N	1	0	465.569	3.704	40	0		JHABRO
Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCN2C(=O)COc3ccc(Cl)cc32)n1	ZINC000257270510	570129733	/nfs/dbraw/zinc/12/97/33/570129733.db2.gz	MUNKLHRXODYTPK-IBGZPJMESA-N	1	0	465.941	3.708	40	0		JHABRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCCCC3)C2)CC1	ZINC000257282844	570133514	/nfs/dbraw/zinc/13/35/14/570133514.db2.gz	OVNVZHWOTYMMNC-DHLKQENFSA-N	1	0	473.633	3.945	40	0		JHABRO
C[C@]1(O)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)C[C@@H]1Oc1ccccc1	ZINC000257292991	570136430	/nfs/dbraw/zinc/13/64/30/570136430.db2.gz	QNSKCDKYHWCVCR-XCZPVHLTSA-N	1	0	476.573	3.534	40	0		JHABRO
CC1(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4c3)C2)CC[NH+](CCc2ccccc2)CC1	ZINC000257296592	570137531	/nfs/dbraw/zinc/13/75/31/570137531.db2.gz	RDLRCVVLDDXRNU-VWLOTQADSA-N	1	0	460.622	3.697	40	0		JHABRO
CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1	ZINC000257320994	570144777	/nfs/dbraw/zinc/14/47/77/570144777.db2.gz	VZQNQIZPLGQLEN-HHHXNRCGSA-N	1	0	467.610	3.849	40	0		JHABRO
CC(=O)N[C@]12CN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2	ZINC000257323417	570145553	/nfs/dbraw/zinc/14/55/53/570145553.db2.gz	WKAYANGOPXKNGB-VEIFUORISA-N	1	0	496.655	3.776	40	0		JHABRO
CN(C)CC(=O)Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@@H+]2CCOCc2ccccc2)ccn1	ZINC000257332603	570148247	/nfs/dbraw/zinc/14/82/47/570148247.db2.gz	XXZJUWLRBKUQNL-QHCPKHFHSA-N	1	0	462.598	3.716	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257344851	570151840	/nfs/dbraw/zinc/15/18/40/570151840.db2.gz	ZYWRMJOQFXILDC-QFIPXVFZSA-N	1	0	473.621	3.648	40	0		JHABRO
Cc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000260886132	570161554	/nfs/dbraw/zinc/16/15/54/570161554.db2.gz	FGWNCMMFSGBXFO-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
CCc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000260903973	570163058	/nfs/dbraw/zinc/16/30/58/570163058.db2.gz	ZDSCUQWEPMKLOO-HXUWFJFHSA-N	1	0	457.640	3.706	40	0		JHABRO
O=C(NCC[NH+]1CCCCC1)c1c2c(n3ncc(-c4ccccc4)nc13)CN(Cc1cccnc1)CC2	ZINC000306137723	570178565	/nfs/dbraw/zinc/17/85/65/570178565.db2.gz	REBXOLRVJWZMCF-UHFFFAOYSA-N	1	0	495.631	3.565	40	0		JHABRO
COCCN1CC[NH+](C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)CC1	ZINC000030882954	291511117	/nfs/dbraw/zinc/51/11/17/291511117.db2.gz	GVLJJJFTUVBKIB-HJOGWXRNSA-N	1	0	453.631	3.793	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)Cn1nnnc1[C@@H](CC)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000001374248	194108249	/nfs/dbraw/zinc/10/82/49/194108249.db2.gz	WOHZBXNTAJDSCU-XMMPIXPASA-N	1	0	488.592	3.582	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1	ZINC000001375111	194109434	/nfs/dbraw/zinc/10/94/34/194109434.db2.gz	USOFTIHTEHXUMG-QHCPKHFHSA-N	1	0	480.613	3.981	40	0		JHABRO
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1cccc(Cl)c1	ZINC000012709940	195094404	/nfs/dbraw/zinc/09/44/04/195094404.db2.gz	PFFXXKVMNAFDPM-UHFFFAOYSA-N	1	0	470.957	3.939	40	0		JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1OC	ZINC000012710636	195094810	/nfs/dbraw/zinc/09/48/10/195094810.db2.gz	KRMINSCHTDIFRT-FQEVSTJZSA-N	1	0	492.576	3.826	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1	ZINC000020801689	195227171	/nfs/dbraw/zinc/22/71/71/195227171.db2.gz	OYMPSBYCNJGZJC-VQTJNVASSA-N	1	0	475.376	3.522	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1cccc(C)c1	ZINC000020801559	195227250	/nfs/dbraw/zinc/22/72/50/195227250.db2.gz	PWKUDDAUAZEOHO-NHCUHLMSSA-N	1	0	488.510	3.542	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000006193253	520621816	/nfs/dbraw/zinc/62/18/16/520621816.db2.gz	FGBIHNBUDKCYBP-UHFFFAOYSA-N	1	0	486.663	3.927	40	0		JHABRO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCc1ccccc1	ZINC000016195735	522456372	/nfs/dbraw/zinc/45/63/72/522456372.db2.gz	BXONTMUKYPOGIH-UHFFFAOYSA-N	1	0	460.983	3.907	40	0		JHABRO
CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)no1)c1ccccc1	ZINC000012482780	523170915	/nfs/dbraw/zinc/17/09/15/523170915.db2.gz	LRYOGIRKLCWNOB-SFTDATJTSA-N	1	0	476.577	3.514	40	0	biogenic,in-vitro	JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000044875078	523784869	/nfs/dbraw/zinc/78/48/69/523784869.db2.gz	QHPZGPMOUSUIAJ-XMMPIXPASA-N	1	0	457.640	3.842	40	0		JHABRO
COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000044857241	524360604	/nfs/dbraw/zinc/36/06/04/524360604.db2.gz	HOIVHVVLWQJUAZ-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000044939488	525053815	/nfs/dbraw/zinc/05/38/15/525053815.db2.gz	MOTYLLMCCJVHRC-UHFFFAOYSA-N	1	0	459.612	3.866	40	0		JHABRO
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccc(F)cc1	ZINC000006198460	554519500	/nfs/dbraw/zinc/51/95/00/554519500.db2.gz	MYWJCDOGAOVQGM-UHFFFAOYSA-N	1	0	470.570	3.589	40	0		JHABRO
COc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCC3)cc2c1	ZINC000013498653	555423390	/nfs/dbraw/zinc/42/33/90/555423390.db2.gz	KCFRSTSTGQIPAY-UPVQGACJSA-N	1	0	480.613	3.844	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCC[NH+](C)C)cc1	ZINC000013612908	555535082	/nfs/dbraw/zinc/53/50/82/555535082.db2.gz	PGNBMRFUZCQVCP-UHFFFAOYSA-N	1	0	451.592	3.682	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cc(Cl)c(Cl)cc1Cl	ZINC000013632520	555542606	/nfs/dbraw/zinc/54/26/06/555542606.db2.gz	CHQJCEAYWPDYIL-UHFFFAOYSA-N	1	0	470.850	3.795	40	0		JHABRO
Cc1ccc(CN(c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000013649460	555553825	/nfs/dbraw/zinc/55/38/25/555553825.db2.gz	MPGOJEXUBCYOTK-UHFFFAOYSA-N	1	0	457.640	3.957	40	0		JHABRO
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000013668421	555557391	/nfs/dbraw/zinc/55/73/91/555557391.db2.gz	WINFIXUROUBHCU-UHFFFAOYSA-N	1	0	494.455	3.637	40	0		JHABRO
Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1	ZINC000019941466	555560550	/nfs/dbraw/zinc/56/05/50/555560550.db2.gz	BNPIBZNEDMHDKO-VWLOTQADSA-N	1	0	475.641	3.978	40	0		JHABRO
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc12	ZINC000020083256	555631241	/nfs/dbraw/zinc/63/12/41/555631241.db2.gz	LXVLEBOUIDAJJX-DEOSSOPVSA-N	1	0	477.657	3.926	40	0		JHABRO
C[NH+](C)CCCNC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1	ZINC000010363662	555697388	/nfs/dbraw/zinc/69/73/88/555697388.db2.gz	MUFFTIDKYMOHAR-UHFFFAOYSA-N	1	0	458.411	3.641	40	0		JHABRO
Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000010540415	555723999	/nfs/dbraw/zinc/72/39/99/555723999.db2.gz	XIVDRGFCPPREKW-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2)CC1	ZINC000014271844	555767849	/nfs/dbraw/zinc/76/78/49/555767849.db2.gz	UPBYFZJYBBIQRB-UHFFFAOYSA-N	1	0	470.492	3.520	40	0		JHABRO
COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1	ZINC000022074088	555871102	/nfs/dbraw/zinc/87/11/02/555871102.db2.gz	FSMFZZCPHXKTKF-UHFFFAOYSA-N	1	0	467.379	3.988	40	0		JHABRO
COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000022929341	555981546	/nfs/dbraw/zinc/98/15/46/555981546.db2.gz	YSAOUXXOCDNWNV-XMMPIXPASA-N	1	0	450.562	3.519	40	0		JHABRO
CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1	ZINC000023471908	556074035	/nfs/dbraw/zinc/07/40/35/556074035.db2.gz	QUROXCOLVQOWHX-UHFFFAOYSA-N	1	0	467.379	3.988	40	0		JHABRO
COc1c(Cl)cc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl	ZINC000016189188	556128316	/nfs/dbraw/zinc/12/83/16/556128316.db2.gz	LWBGULWUZAMFLC-UHFFFAOYSA-N	1	0	453.395	3.881	40	0		JHABRO
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000019220733	556334664	/nfs/dbraw/zinc/33/46/64/556334664.db2.gz	QGFLGICJRBJZPA-QHCPKHFHSA-N	1	0	463.630	3.618	40	0		JHABRO
Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c12	ZINC000019236416	556337094	/nfs/dbraw/zinc/33/70/94/556337094.db2.gz	QHNYPVVNRNZBOT-VWLOTQADSA-N	1	0	475.641	3.978	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000030556441	556367000	/nfs/dbraw/zinc/36/70/00/556367000.db2.gz	ZRWUITMPNUOFSG-UHFFFAOYSA-N	1	0	462.015	3.650	40	0		JHABRO
CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CN4CCN(c5ccccc5)CC4)on3)C2(C)C)CC1	ZINC000067890370	560050110	/nfs/dbraw/zinc/05/01/10/560050110.db2.gz	XECYRJAAIOAONN-AMGIVPHBSA-N	1	0	479.669	3.555	40	0	biogenic,in-vitro	JHABRO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000033784865	569634856	/nfs/dbraw/zinc/63/48/56/569634856.db2.gz	AYRAODBRFZDFIE-MUCKBHKGSA-N	1	0	451.526	3.685	40	0		JHABRO
COc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1	ZINC000033937234	569638615	/nfs/dbraw/zinc/63/86/15/569638615.db2.gz	KCFRSTSTGQIPAY-VWNXMTODSA-N	1	0	480.613	3.844	40	0		JHABRO
CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1	ZINC000033937394	569639142	/nfs/dbraw/zinc/63/91/42/569639142.db2.gz	SMNHLSIXSGXQSP-IFMALSPDSA-N	1	0	494.596	3.708	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218228559	569883099	/nfs/dbraw/zinc/88/30/99/569883099.db2.gz	LUIVTCSJUVULPM-XQBPLPMBSA-N	1	0	495.439	3.919	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218672068	569883483	/nfs/dbraw/zinc/88/34/83/569883483.db2.gz	CCVGTPKYBPVLDW-BBTUJRGHSA-N	1	0	454.951	3.641	40	0		JHABRO
COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1	ZINC000223292582	569906431	/nfs/dbraw/zinc/90/64/31/569906431.db2.gz	BUZBCYZZTNAYRG-FGZHOGPDSA-N	1	0	450.564	3.662	40	0		JHABRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223491854	569913280	/nfs/dbraw/zinc/91/32/80/569913280.db2.gz	HFWIETPRZLHZQM-FTJBHMTQSA-N	1	0	490.677	3.790	40	0		JHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1	ZINC000224318922	569940351	/nfs/dbraw/zinc/94/03/51/569940351.db2.gz	JBMKUYOUTDWPCF-OAQYLSRUSA-N	1	0	485.650	3.512	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc2)cc1	ZINC000224601333	569950109	/nfs/dbraw/zinc/95/01/09/569950109.db2.gz	IAJJICXZKKPCEE-UHFFFAOYSA-N	1	0	493.629	3.803	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000224609741	569950611	/nfs/dbraw/zinc/95/06/11/569950611.db2.gz	QFDJUWZFPAFMSV-AREMUKBSSA-N	1	0	491.613	3.555	40	0		JHABRO
C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000224629700	569951466	/nfs/dbraw/zinc/95/14/66/569951466.db2.gz	IKHSETOZTDMRMF-KRWDZBQOSA-N	1	0	483.556	3.772	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000224704399	569954275	/nfs/dbraw/zinc/95/42/75/569954275.db2.gz	QEYHKVWWJPBFBF-QFIPXVFZSA-N	1	0	473.614	3.529	40	0		JHABRO
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000224760899	569956469	/nfs/dbraw/zinc/95/64/69/569956469.db2.gz	JVIGUSGFVDTSLR-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(=O)N1CCC(C)CC1	ZINC000224779503	569957206	/nfs/dbraw/zinc/95/72/06/569957206.db2.gz	WUNGAHHNQADBLR-UHFFFAOYSA-N	1	0	485.650	3.642	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000224796568	569958016	/nfs/dbraw/zinc/95/80/16/569958016.db2.gz	IARUBUUIMLBODQ-NRFANRHFSA-N	1	0	494.057	3.805	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000224804829	569958317	/nfs/dbraw/zinc/95/83/17/569958317.db2.gz	MIOMJTGGQVZENG-NRFANRHFSA-N	1	0	476.042	3.653	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1	ZINC000224814655	569958813	/nfs/dbraw/zinc/95/88/13/569958813.db2.gz	HWYSCJXNDLXSJB-UHFFFAOYSA-N	1	0	483.556	3.774	40	0		JHABRO
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224824272	569959239	/nfs/dbraw/zinc/95/92/39/569959239.db2.gz	QILUAJYWDTVWIQ-SFHVURJKSA-N	1	0	494.057	3.805	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000224826905	569959360	/nfs/dbraw/zinc/95/93/60/569959360.db2.gz	ZCPAOPQXIBXRFL-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000224842139	569959896	/nfs/dbraw/zinc/95/98/96/569959896.db2.gz	CXVPHILNXWHMDI-UHFFFAOYSA-N	1	0	469.651	3.918	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000224852046	569960364	/nfs/dbraw/zinc/96/03/64/569960364.db2.gz	HJZDVLWPOMJBAF-UHFFFAOYSA-N	1	0	499.677	3.715	40	0		JHABRO
O=C(c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCN(c2ccccc2)CC1	ZINC000408829652	570052665	/nfs/dbraw/zinc/05/26/65/570052665.db2.gz	LOJMYXROGSEAQS-UHFFFAOYSA-N	1	0	454.618	3.967	40	0		JHABRO
CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C1CCCC1)CC2=O	ZINC000253406882	570097271	/nfs/dbraw/zinc/09/72/71/570097271.db2.gz	VEOGKACHCQKLRP-GUBXLBAESA-N	1	0	453.627	3.759	40	0		JHABRO
CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)cc2O1	ZINC000257198768	570107321	/nfs/dbraw/zinc/10/73/21/570107321.db2.gz	IBBOWHCQFLNGOV-FMIMRNNVSA-N	1	0	480.605	3.936	40	0		JHABRO
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3ccc[nH]3)C2)ccc1Cl	ZINC000257203285	570108775	/nfs/dbraw/zinc/10/87/75/570108775.db2.gz	APJBXUKBUMVXNN-VWLOTQADSA-N	1	0	459.034	3.802	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409052860	570110498	/nfs/dbraw/zinc/11/04/98/570110498.db2.gz	ITWZSYBRMAUPAO-VNGKGULCSA-O	1	0	493.381	3.782	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409052831	570110565	/nfs/dbraw/zinc/11/05/65/570110565.db2.gz	INQXRJZAXYHXHB-AGCKMMHDSA-O	1	0	482.919	3.512	40	0		JHABRO
Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)c3cnn(CC4CC[NH+](C)CC4)c3)n2)nc1	ZINC000257208874	570110648	/nfs/dbraw/zinc/11/06/48/570110648.db2.gz	BNWMMEWFUPDHRL-DEOSSOPVSA-N	1	0	487.608	3.553	40	0		JHABRO
Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000409054670	570111235	/nfs/dbraw/zinc/11/12/35/570111235.db2.gz	AXRKSJXLANIUCJ-RPWUZVMVSA-O	1	0	461.973	3.731	40	0		JHABRO
C[N@H+](CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2F)C[C@H]1NC(=O)OC(C)(C)C	ZINC000257212423	570111799	/nfs/dbraw/zinc/11/17/99/570111799.db2.gz	CDILADPYNPEUHV-LGKPFJOYSA-N	1	0	462.537	3.913	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1	ZINC000409068161	570117323	/nfs/dbraw/zinc/11/73/23/570117323.db2.gz	KIUOZQSLRZTQRK-NGTVUAHZSA-O	1	0	452.893	3.504	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409069228	570117548	/nfs/dbraw/zinc/11/75/48/570117548.db2.gz	MAHCNVWIUKSDMY-SXOMAYOGSA-O	1	0	485.608	3.866	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409069219	570117580	/nfs/dbraw/zinc/11/75/80/570117580.db2.gz	MAHCNVWIUKSDMY-KAYWLYCHSA-O	1	0	485.608	3.866	40	0		JHABRO
C[N@@H+]1CCCCC[C@@H]2N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H](Cc3ccccc3)C[C@@]21C	ZINC000257242093	570120813	/nfs/dbraw/zinc/12/08/13/570120813.db2.gz	IBCAHIGURYSBKH-QURRFSBHSA-N	1	0	461.610	3.745	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@H](Cc3ccc4ccncc4c3)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257286683	570134647	/nfs/dbraw/zinc/13/46/47/570134647.db2.gz	PMOHQHAOFMPPSY-JOCHJYFZSA-N	1	0	473.621	3.648	40	0		JHABRO
O=C(Cn1cncn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)C[N@@H+]2Cc1ccc(Cl)cc1	ZINC000257319582	570144309	/nfs/dbraw/zinc/14/43/09/570144309.db2.gz	VTDFDYWVLMUKIH-MQSCRBSSSA-N	1	0	471.939	3.726	40	0		JHABRO
CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000260890912	570161978	/nfs/dbraw/zinc/16/19/78/570161978.db2.gz	UXRQSABGEVMRQM-RUZDIDTESA-N	1	0	487.666	3.932	40	0		JHABRO
CCOc1ccc(N([C@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000260897648	570162465	/nfs/dbraw/zinc/16/24/65/570162465.db2.gz	NSEMICATJBQFML-RUZDIDTESA-N	1	0	487.666	3.932	40	0		JHABRO
C[NH+](C)CCCNc1nc(Nc2ccccc2I)cc(-c2ccccc2)n1	ZINC000328980405	570180419	/nfs/dbraw/zinc/18/04/19/570180419.db2.gz	GMQIYFGEOTUADO-UHFFFAOYSA-N	1	0	473.362	3.699	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C(F)(F)F)n1	ZINC000329052609	570183144	/nfs/dbraw/zinc/18/31/44/570183144.db2.gz	VCWCAWJVIUXRMV-UHFFFAOYSA-N	1	0	472.231	3.838	40	0		JHABRO
COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)CC2	ZINC000012659815	195079706	/nfs/dbraw/zinc/07/97/06/195079706.db2.gz	KVFNXTACKHFLKO-FXIGITPDSA-N	1	0	455.595	3.908	40	0		JHABRO
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1Cl	ZINC000012709930	195094505	/nfs/dbraw/zinc/09/45/05/195094505.db2.gz	BQNZSSJXOGINOU-UHFFFAOYSA-N	1	0	470.957	3.939	40	0		JHABRO
CC(C)c1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2)cc1	ZINC000020799173	195226350	/nfs/dbraw/zinc/22/63/50/195226350.db2.gz	SZGFMRNQLHFGHR-QGZVFWFLSA-N	1	0	460.460	3.648	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1F	ZINC000224847203	195467374	/nfs/dbraw/zinc/46/73/74/195467374.db2.gz	VQRNILBOBHPIRE-UHFFFAOYSA-N	1	0	461.603	3.674	40	0		JHABRO
CCC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1	ZINC000019503413	519859731	/nfs/dbraw/zinc/85/97/31/519859731.db2.gz	QMNHLIRMYHJGDW-DEOSSOPVSA-N	1	0	463.630	3.754	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1	ZINC000006193123	520619838	/nfs/dbraw/zinc/61/98/38/520619838.db2.gz	CWAQCGPBGPDKNX-OAQYLSRUSA-N	1	0	458.672	3.732	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1	ZINC000022512184	521003565	/nfs/dbraw/zinc/00/35/65/521003565.db2.gz	LUMADGRRBMANEA-UHFFFAOYSA-N	1	0	490.497	3.773	40	0		JHABRO
COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCc3ccc(OC)c(OC)c3)no2)cc1	ZINC000008623741	523108499	/nfs/dbraw/zinc/10/84/99/523108499.db2.gz	NMRCUENEENLNGT-SFTDATJTSA-N	1	0	479.577	3.842	40	0	biogenic,in-vitro	JHABRO
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1	ZINC000044875166	524452623	/nfs/dbraw/zinc/45/26/23/524452623.db2.gz	LLKJPTZOAILHJE-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000044857327	525149517	/nfs/dbraw/zinc/14/95/17/525149517.db2.gz	DEDHOKLVOXQGDU-UHFFFAOYSA-N	1	0	470.422	3.672	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000044872757	526655845	/nfs/dbraw/zinc/65/58/45/526655845.db2.gz	QASJTHJHYAELIO-SANMLTNESA-N	1	0	483.678	3.573	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000033222995	526743746	/nfs/dbraw/zinc/74/37/46/526743746.db2.gz	YGXUJAABDSJOOY-UHFFFAOYSA-N	1	0	469.651	3.531	40	0		JHABRO
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Br	ZINC000005949333	554498261	/nfs/dbraw/zinc/49/82/61/554498261.db2.gz	UUSNBDQAIYDLRE-UHFFFAOYSA-N	1	0	477.428	3.726	40	0		JHABRO
Cc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	ZINC000006245246	554521699	/nfs/dbraw/zinc/52/16/99/554521699.db2.gz	LEPRGWFCXHVPLE-UHFFFAOYSA-N	1	0	466.607	3.758	40	0		JHABRO
COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1	ZINC000006283089	554525931	/nfs/dbraw/zinc/52/59/31/554525931.db2.gz	MJMRTEGRRGUBDH-SFHVURJKSA-N	1	0	452.624	3.926	40	0		JHABRO
Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1	ZINC000013649813	555554079	/nfs/dbraw/zinc/55/40/79/555554079.db2.gz	LLUQMPMULDGTOL-UHFFFAOYSA-N	1	0	457.640	3.737	40	0		JHABRO
Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1	ZINC000019941465	555560598	/nfs/dbraw/zinc/56/05/98/555560598.db2.gz	BNPIBZNEDMHDKO-RUZDIDTESA-N	1	0	475.641	3.978	40	0		JHABRO
Cc1cccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000013672909	555564611	/nfs/dbraw/zinc/56/46/11/555564611.db2.gz	CIZTWIGCIRKDQR-UHFFFAOYSA-N	1	0	457.640	3.813	40	0		JHABRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cccc(Cl)c2)cc1	ZINC000013676644	555567517	/nfs/dbraw/zinc/56/75/17/555567517.db2.gz	AMYYRCVCXLFVCU-UHFFFAOYSA-N	1	0	480.030	3.536	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cc(C(F)(F)F)ccc1Cl	ZINC000010111185	555622136	/nfs/dbraw/zinc/62/21/36/555622136.db2.gz	INNYNVJIZNAOQA-UHFFFAOYSA-N	1	0	469.957	3.507	40	0		JHABRO
CCc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000010277481	555671464	/nfs/dbraw/zinc/67/14/64/555671464.db2.gz	UKRBHXJENJKYPY-UHFFFAOYSA-N	1	0	457.640	3.745	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1	ZINC000010544229	555726140	/nfs/dbraw/zinc/72/61/40/555726140.db2.gz	HBTHSCVHKCIFRS-FQEVSTJZSA-N	1	0	465.660	3.644	40	0		JHABRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(I)cc3)cc2)CC1	ZINC000014277250	555785599	/nfs/dbraw/zinc/78/55/99/555785599.db2.gz	FWTSFYLJAQFZJU-UHFFFAOYSA-N	1	0	494.402	3.560	40	0		JHABRO
COc1ccc(CC[NH2+]Cc2ccc(OCc3nnnn3-c3ccc(C)cc3)c(OC)c2)cc1OC	ZINC000022108199	555875314	/nfs/dbraw/zinc/87/53/14/555875314.db2.gz	GQVSMMWBRVYLAS-UHFFFAOYSA-N	1	0	489.576	3.908	40	0		JHABRO
COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccc(F)cc1Cl	ZINC000022109394	555876252	/nfs/dbraw/zinc/87/62/52/555876252.db2.gz	FFRWJZBKLOJNSL-UHFFFAOYSA-N	1	0	451.955	3.862	40	0		JHABRO
COc1cccc(COC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1	ZINC000012172244	555934053	/nfs/dbraw/zinc/93/40/53/555934053.db2.gz	ZOVUCKWUOWKINK-HSZRJFAPSA-N	1	0	488.584	3.734	40	0		JHABRO
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000022924940	555976902	/nfs/dbraw/zinc/97/69/02/555976902.db2.gz	YLYGKJMBWJYKND-DEOSSOPVSA-N	1	0	477.657	3.872	40	0		JHABRO
COc1ccc(Cn2nnnc2[C@@H](c2ccc(OC)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022929515	555982034	/nfs/dbraw/zinc/98/20/34/555982034.db2.gz	HYPBGBFPDWGCDC-AREMUKBSSA-N	1	0	476.625	3.778	40	0		JHABRO
CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(F)cc1	ZINC000023471915	556073896	/nfs/dbraw/zinc/07/38/96/556073896.db2.gz	MLHQSLMHRMUMBB-HNNXBMFYSA-N	1	0	455.368	3.626	40	0		JHABRO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2)CC1	ZINC000032125104	556428786	/nfs/dbraw/zinc/42/87/86/556428786.db2.gz	RNWRRIBZCLQEKG-UHFFFAOYSA-N	1	0	494.402	3.560	40	0		JHABRO
COc1cc2c(cc1OC)C[N@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@@H](C)C2	ZINC000036369525	569773111	/nfs/dbraw/zinc/77/31/11/569773111.db2.gz	HEAXKDZPAXOEMH-JYPROHJWSA-N	1	0	455.595	3.735	40	0		JHABRO
CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218238263	569883113	/nfs/dbraw/zinc/88/31/13/569883113.db2.gz	BOWLFEHJDBTTOD-JENIJYKNSA-N	1	0	472.788	3.550	40	0		JHABRO
COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)cc1	ZINC000223250750	569904920	/nfs/dbraw/zinc/90/49/20/569904920.db2.gz	XWZWUIVNAJJAKP-PKTZIBPZSA-N	1	0	463.607	3.583	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000224526350	569947216	/nfs/dbraw/zinc/94/72/16/569947216.db2.gz	HJRBWMNCLUSZCF-HSZRJFAPSA-N	1	0	476.042	3.795	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1	ZINC000224627396	569951411	/nfs/dbraw/zinc/95/14/11/569951411.db2.gz	ZUPCEQWFHDKFRK-UHFFFAOYSA-N	1	0	464.031	3.798	40	0		JHABRO
CCOc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1	ZINC000224633283	569951628	/nfs/dbraw/zinc/95/16/28/569951628.db2.gz	RPLDQNWLWQQEMZ-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224665753	569952838	/nfs/dbraw/zinc/95/28/38/569952838.db2.gz	PBZSCAKDEILKPP-SFHVURJKSA-N	1	0	464.031	3.797	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224680844	569953458	/nfs/dbraw/zinc/95/34/58/569953458.db2.gz	KFLFPNAJBBWTHB-HHHXNRCGSA-N	1	0	497.705	3.963	40	0		JHABRO
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000224760818	569956497	/nfs/dbraw/zinc/95/64/97/569956497.db2.gz	PSWGHYMXECJZIT-UHFFFAOYSA-N	1	0	481.593	3.933	40	0		JHABRO
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000224776189	569957090	/nfs/dbraw/zinc/95/70/90/569957090.db2.gz	JKRAOFVHYIPVHV-SFHVURJKSA-N	1	0	464.031	3.715	40	0		JHABRO
Cc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1C	ZINC000224776463	569957101	/nfs/dbraw/zinc/95/71/01/569957101.db2.gz	OIKVWBNFQIDMIJ-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	ZINC000224796717	569958026	/nfs/dbraw/zinc/95/80/26/569958026.db2.gz	XWPMRDNWGRMNEX-JOCHJYFZSA-N	1	0	482.021	3.936	40	0		JHABRO
CCc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224843641	569959972	/nfs/dbraw/zinc/95/99/72/569959972.db2.gz	ZLRHTDVNGXLLJF-FQEVSTJZSA-N	1	0	457.640	3.706	40	0		JHABRO
COC(=O)c1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1C	ZINC000225405849	569995235	/nfs/dbraw/zinc/99/52/35/569995235.db2.gz	ZHJVDDMJDONFRU-UHFFFAOYSA-N	1	0	464.587	3.878	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242495189	570053868	/nfs/dbraw/zinc/05/38/68/570053868.db2.gz	FYRLKGWBFZAGTM-KNKQGSTJSA-N	1	0	450.988	3.810	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000252515835	570082758	/nfs/dbraw/zinc/08/27/58/570082758.db2.gz	NYGLKNUWDMPYNP-DBXWQHBBSA-N	1	0	481.412	3.611	40	0		JHABRO
COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)CCN2C)cc1	ZINC000257200856	570108003	/nfs/dbraw/zinc/10/80/03/570108003.db2.gz	AFCVJVHZDPBION-XMMPIXPASA-N	1	0	467.585	3.521	40	0		JHABRO
C[N@@H+]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@@H](Cc2cccc3cccnc32)C1	ZINC000257209539	570110857	/nfs/dbraw/zinc/11/08/57/570110857.db2.gz	BQUJSNKOCWPDCY-QFIPXVFZSA-N	1	0	456.590	3.604	40	0		JHABRO
COCC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(Cc3ccc(-c4cc(F)ccc4OC)cc3)CCCO2)C1	ZINC000257209729	570110951	/nfs/dbraw/zinc/11/09/51/570110951.db2.gz	BRRCXZCYDYWTIS-KDYSTLNUSA-N	1	0	470.585	3.678	40	0		JHABRO
COCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(Cc3ccc(-c4cc(F)ccc4OC)cc3)CCCO2)C1	ZINC000257209730	570110980	/nfs/dbraw/zinc/11/09/80/570110980.db2.gz	BRRCXZCYDYWTIS-ZBLYBZFDSA-N	1	0	470.585	3.678	40	0		JHABRO
COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000409054702	570111272	/nfs/dbraw/zinc/11/12/72/570111272.db2.gz	BBLYAFJAVKIZRR-WAUWHALJSA-O	1	0	493.381	3.782	40	0		JHABRO
Cc1nc2cc(NC(=O)CN3C[C@@H](c4cc(F)cc(F)c4)[C@]4(C3)CCCCC(=O)N4)ccc2n1C	ZINC000257211916	570111545	/nfs/dbraw/zinc/11/15/45/570111545.db2.gz	CBBLZZPFKZJIJZ-HFZDXXHNSA-N	1	0	481.547	3.627	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409055747	570111625	/nfs/dbraw/zinc/11/16/25/570111625.db2.gz	PQKXDIPKVMKYAB-VTPLCQIWSA-O	1	0	497.344	3.613	40	0		JHABRO
COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409057137	570112277	/nfs/dbraw/zinc/11/22/77/570112277.db2.gz	IUXNOHFELOGZBF-MNSXOOQPSA-O	1	0	472.565	3.843	40	0		JHABRO
C[N@@H+]1CCCCC[C@@H]2N(C(=O)CCCN3C(=O)NC(C)(C)C3=O)[C@H](Cc3ccccc3)C[C@@]21C	ZINC000257214148	570112359	/nfs/dbraw/zinc/11/23/59/570112359.db2.gz	CKUIOYDWEKFFEI-VHSZZVNMSA-N	1	0	468.642	3.574	40	0		JHABRO
COCC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1	ZINC000257216645	570113227	/nfs/dbraw/zinc/11/32/27/570113227.db2.gz	CVMRTXWHVSMORJ-QFIPXVFZSA-N	1	0	454.586	3.917	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409060118	570113802	/nfs/dbraw/zinc/11/38/02/570113802.db2.gz	SXJXHDKBFKZOLL-CLJLJLNGSA-O	1	0	471.581	3.558	40	0		JHABRO
O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2	ZINC000257220451	570114185	/nfs/dbraw/zinc/11/41/85/570114185.db2.gz	DKWQBKKEWWRRAS-AHWVRZQESA-N	1	0	452.551	3.627	40	0		JHABRO
Cc1nonc1COc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H](Cc2ccc3ncccc3c2)C1	ZINC000257245438	570121671	/nfs/dbraw/zinc/12/16/71/570121671.db2.gz	IPNRMWVYWUJILH-NRFANRHFSA-N	1	0	471.561	3.752	40	0		JHABRO
CN(CC(=O)N1CCC2(CC1)CO[C@@H]1c3cccc(O)c3OC(C)(C)[C@H]1C2)Cc1ccccn1	ZINC000257247101	570122159	/nfs/dbraw/zinc/12/21/59/570122159.db2.gz	IXLPZVTXEGYWBX-XUZZJYLKSA-N	1	0	465.594	3.777	40	0		JHABRO
COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)C[N@@H+]2Cc1ccc(Cl)cc1	ZINC000257255004	570124697	/nfs/dbraw/zinc/12/46/97/570124697.db2.gz	KFSBFZMCCOZUFD-YPAWHYETSA-N	1	0	458.986	3.820	40	0		JHABRO
COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(CC(=O)Nc4ccc(NC(C)=O)cc4Cl)C[C@@H]32)cc1	ZINC000257262695	570127149	/nfs/dbraw/zinc/12/71/49/570127149.db2.gz	LMLXUSRKQRYBRY-TZBSWOFLSA-N	1	0	499.011	3.582	40	0		JHABRO
COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1	ZINC000257268159	570129002	/nfs/dbraw/zinc/12/90/02/570129002.db2.gz	MKMJBJLJISWRTQ-SXOMAYOGSA-N	1	0	471.601	3.629	40	0		JHABRO
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)CC1	ZINC000257273224	570130634	/nfs/dbraw/zinc/13/06/34/570130634.db2.gz	NFSVTWZTWIGVCY-ZCYQVOJMSA-N	1	0	455.643	3.806	40	0		JHABRO
O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(Cc2ccc3cc[nH]c3c2)CCO1)N1CCOCC1	ZINC000257283289	570133535	/nfs/dbraw/zinc/13/35/35/570133535.db2.gz	OXQZKBNKLLDKHF-SANMLTNESA-N	1	0	483.996	3.720	40	0		JHABRO
O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@]2(CN(CCc3ccccc3)C(=O)O2)CC1	ZINC000257315832	570143253	/nfs/dbraw/zinc/14/32/53/570143253.db2.gz	VCYBDQQRMSJCEF-MHZLTWQESA-N	1	0	458.562	3.991	40	0		JHABRO
CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CC[C@H]21	ZINC000257327110	570146669	/nfs/dbraw/zinc/14/66/69/570146669.db2.gz	WZZFFDKWPMJVQV-RGSZASNESA-N	1	0	476.596	3.876	40	0		JHABRO
O=C(c1ccccc1OCCN1CCCC1=O)N1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000257332317	570148319	/nfs/dbraw/zinc/14/83/19/570148319.db2.gz	XWSPVIBQKUJIMF-UKILVPOCSA-N	1	0	461.606	3.815	40	0		JHABRO
CCCCOc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3CCc3ccccc3)[C@@H](O)C2)cc1	ZINC000257337954	570149880	/nfs/dbraw/zinc/14/98/80/570149880.db2.gz	YVFDTSZJFYQOFE-XCZPVHLTSA-N	1	0	465.638	3.948	40	0		JHABRO
Cn1c(CNC(=O)C[N@@H+]2CCC[C@@]3(CN(c4ccc(Cl)cc4)C(=O)O3)CC2)nc2ccccc21	ZINC000257342288	570151015	/nfs/dbraw/zinc/15/10/15/570151015.db2.gz	ZNZGCTCDEAKVGN-VWLOTQADSA-N	1	0	481.984	3.724	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2cc(F)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328968118	570179808	/nfs/dbraw/zinc/17/98/08/570179808.db2.gz	CYGLRDCHIUVTGR-UHFFFAOYSA-N	1	0	453.415	3.881	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccnc2)n1	ZINC000328972179	570179980	/nfs/dbraw/zinc/17/99/80/570179980.db2.gz	DUYOOZITIAVCII-UHFFFAOYSA-N	1	0	452.868	3.652	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C(F)(F)F)n1	ZINC000329059709	570183283	/nfs/dbraw/zinc/18/32/83/570183283.db2.gz	WJQIYAMPQUXLLB-UHFFFAOYSA-N	1	0	472.231	3.838	40	0		JHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(F)cc1	ZINC000001336039	194095283	/nfs/dbraw/zinc/09/52/83/194095283.db2.gz	SNVSBJGGKLQAGU-OAQYLSRUSA-N	1	0	480.540	3.957	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1cccc(Cl)c1	ZINC000020801692	195227243	/nfs/dbraw/zinc/22/72/43/195227243.db2.gz	OYMPSBYCNJGZJC-UXHICEINSA-N	1	0	475.376	3.522	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(OC)cc1	ZINC000006078363	520646800	/nfs/dbraw/zinc/64/68/00/520646800.db2.gz	OFGMKTLMQDQREQ-UHFFFAOYSA-N	1	0	482.606	3.806	40	0		JHABRO
COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000013669006	524359517	/nfs/dbraw/zinc/35/95/17/524359517.db2.gz	SGMUJKHOQHDSEF-UHFFFAOYSA-N	1	0	494.057	3.926	40	0		JHABRO
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4N(Cc4ccccc4)C2=O)[N@H+]2CCC[C@@H]32)cc1	ZINC000012420803	524396248	/nfs/dbraw/zinc/39/62/48/524396248.db2.gz	BTOBZXHDANZKDV-VWDBNSKXSA-N	1	0	493.563	3.721	40	0		JHABRO
Cc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1C	ZINC000044871999	524898599	/nfs/dbraw/zinc/89/85/99/524898599.db2.gz	UNURGOMWFWREQI-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)NCc1cccs1	ZINC000012483068	527125219	/nfs/dbraw/zinc/12/52/19/527125219.db2.gz	DGLDPINPLIMNIZ-VXKWHMMOSA-N	1	0	493.677	3.533	40	0	biogenic,in-vitro	JHABRO
Cc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1	ZINC000006245248	554521722	/nfs/dbraw/zinc/52/17/22/554521722.db2.gz	PYXGCIVQBUIKHP-UHFFFAOYSA-N	1	0	452.580	3.716	40	0		JHABRO
Cc1cccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1	ZINC000006442342	554536454	/nfs/dbraw/zinc/53/64/54/554536454.db2.gz	ZUSWEIJSOOHQEX-UHFFFAOYSA-N	1	0	466.607	3.758	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O	ZINC000013494974	555406895	/nfs/dbraw/zinc/40/68/95/555406895.db2.gz	VSKAGXCPTBTRBJ-QFIPXVFZSA-N	1	0	492.555	3.679	40	0		JHABRO
COCC[NH+]1CCN(c2cc(-c3ccccc3)nc3cc(-c4cc(OC)cc(OC)c4)nn32)CC1	ZINC000013562770	555497551	/nfs/dbraw/zinc/49/75/51/555497551.db2.gz	NTFDSCRXYZFFLZ-UHFFFAOYSA-N	1	0	473.577	3.849	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cccc(C)c2C)cc1	ZINC000013631943	555541861	/nfs/dbraw/zinc/54/18/61/555541861.db2.gz	QGIOYHHCVSFUPD-UHFFFAOYSA-N	1	0	457.640	3.799	40	0		JHABRO
O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000013668615	555557820	/nfs/dbraw/zinc/55/78/20/555557820.db2.gz	HOYPZICMGKCAJF-UHFFFAOYSA-N	1	0	467.994	3.667	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000020111954	555649005	/nfs/dbraw/zinc/64/90/05/555649005.db2.gz	DTAWPKVKPNVYGA-UHFFFAOYSA-N	1	0	490.497	3.773	40	0		JHABRO
COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1	ZINC000022109268	555876207	/nfs/dbraw/zinc/87/62/07/555876207.db2.gz	RDVIIJJMKFLKOY-UHFFFAOYSA-N	1	0	496.406	3.971	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000015140025	555880457	/nfs/dbraw/zinc/88/04/57/555880457.db2.gz	UKOAMRQQRJKDAE-UHFFFAOYSA-N	1	0	485.650	3.786	40	0		JHABRO
CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000015306509	555895341	/nfs/dbraw/zinc/89/53/41/555895341.db2.gz	ASANFQYZKSHHKR-OAWVOVMNSA-N	1	0	497.620	3.959	40	0		JHABRO
CC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	ZINC000015306488	555895448	/nfs/dbraw/zinc/89/54/48/555895448.db2.gz	ZNQXQVBJFKGRBH-LBCJCTBSSA-N	1	0	465.553	3.612	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OCCC(C)C)cc1	ZINC000019817784	556384267	/nfs/dbraw/zinc/38/42/67/556384267.db2.gz	YDWHIEPHOJDWTJ-RPWUZVMVSA-N	1	0	463.578	3.876	40	0		JHABRO
c1[nH]c2ccccc2c1C[NH2+]C1(Cc2cc(CN3CCN(c4ccccc4)CC3)on2)COC1	ZINC000067898444	560049949	/nfs/dbraw/zinc/04/99/49/560049949.db2.gz	FMQLQXOZRLSDMF-UHFFFAOYSA-N	1	0	457.578	3.579	40	0	biogenic,in-vitro	JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	ZINC000057314146	569597002	/nfs/dbraw/zinc/59/70/02/569597002.db2.gz	RMVYVGNERTZEDH-AWEZNQCLSA-N	1	0	466.365	3.938	40	0		JHABRO
CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)N4CCC([NH+](C)C)CC4)cc32)n1	ZINC000096156505	569736885	/nfs/dbraw/zinc/73/68/85/569736885.db2.gz	RFBCWQLWEBLNEK-XMMPIXPASA-N	1	0	486.620	3.818	40	0		JHABRO
CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)N4CCC([NH+](C)C)CC4)cc32)n1	ZINC000096156506	569736912	/nfs/dbraw/zinc/73/69/12/569736912.db2.gz	RFBCWQLWEBLNEK-DEOSSOPVSA-N	1	0	486.620	3.818	40	0		JHABRO
COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000101351972	569794102	/nfs/dbraw/zinc/79/41/02/569794102.db2.gz	UJPDBNVSNRGNTJ-OQJFVQCTSA-N	1	0	479.964	3.705	40	0		JHABRO
COc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	ZINC000044874505	569839692	/nfs/dbraw/zinc/83/96/92/569839692.db2.gz	JGIIHENKIQJNAA-SFHVURJKSA-N	1	0	494.057	3.805	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218671917	569883493	/nfs/dbraw/zinc/88/34/93/569883493.db2.gz	CCVGTPKYBPVLDW-LVCYWYKZSA-N	1	0	454.951	3.641	40	0		JHABRO
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218656120	569883512	/nfs/dbraw/zinc/88/35/12/569883512.db2.gz	KZUVDLYIOIXBSS-DXIQSLLYSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1I	ZINC000223213545	569903714	/nfs/dbraw/zinc/90/37/14/569903714.db2.gz	VCWZTFYHHMFWOI-MSOLQXFVSA-N	1	0	483.423	3.555	40	0		JHABRO
COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)c1	ZINC000223293019	569906454	/nfs/dbraw/zinc/90/64/54/569906454.db2.gz	ICMVLGZNGOSSKI-VXKWHMMOSA-N	1	0	450.564	3.662	40	0		JHABRO
COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)o2)cc1	ZINC000223292704	569906466	/nfs/dbraw/zinc/90/64/66/569906466.db2.gz	BUZBCYZZTNAYRG-FCHUYYIVSA-N	1	0	450.564	3.662	40	0		JHABRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223456086	569911925	/nfs/dbraw/zinc/91/19/25/569911925.db2.gz	OTZBSOUNSOILSG-IZZNHLLZSA-N	1	0	490.677	3.790	40	0		JHABRO
Cc1cc(C)c(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c(C)c1	ZINC000224524122	569947207	/nfs/dbraw/zinc/94/72/07/569947207.db2.gz	MQRRDCQHXBCDTI-UHFFFAOYSA-N	1	0	457.640	3.680	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000224529941	569947403	/nfs/dbraw/zinc/94/74/03/569947403.db2.gz	WKTLGDBNANMJKL-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000224611309	569950651	/nfs/dbraw/zinc/95/06/51/569950651.db2.gz	GCQAOMJRTMBXGB-SFHVURJKSA-N	1	0	464.031	3.715	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000224613170	569950712	/nfs/dbraw/zinc/95/07/12/569950712.db2.gz	SUVLLYIPGDOSDN-UHFFFAOYSA-N	1	0	462.015	3.650	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O	ZINC000224690546	569953639	/nfs/dbraw/zinc/95/36/39/569953639.db2.gz	BFYBAQKQOIXLHL-DEOSSOPVSA-N	1	0	457.640	3.842	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000224691147	569953704	/nfs/dbraw/zinc/95/37/04/569953704.db2.gz	FEGZZAQCSMHKET-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000224774730	569957051	/nfs/dbraw/zinc/95/70/51/569957051.db2.gz	UTBXPUMQUCGOOB-SANMLTNESA-N	1	0	491.613	3.555	40	0		JHABRO
CSc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(=O)N1CCCC1	ZINC000224784759	569957441	/nfs/dbraw/zinc/95/74/41/569957441.db2.gz	DZWBFPHEEFMZAN-UHFFFAOYSA-N	1	0	473.664	3.719	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000224786327	569957506	/nfs/dbraw/zinc/95/75/06/569957506.db2.gz	UQHDEODORFQOJO-SANMLTNESA-N	1	0	483.678	3.573	40	0		JHABRO
Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O	ZINC000224815065	569958858	/nfs/dbraw/zinc/95/88/58/569958858.db2.gz	MSWJOTWWVRVYQU-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
O=c1sc2cc(S(=O)(=O)NCCC[NH+]3CCCCC3)ccc2n1Cc1ccccc1Cl	ZINC000225802001	570022462	/nfs/dbraw/zinc/02/24/62/570022462.db2.gz	YJVMBLMDZNBYMD-UHFFFAOYSA-N	1	0	480.055	3.919	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000252516168	570082811	/nfs/dbraw/zinc/08/28/11/570082811.db2.gz	QKKZJRGUJBBEID-DBXWQHBBSA-N	1	0	454.951	3.641	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409052833	570110530	/nfs/dbraw/zinc/11/05/30/570110530.db2.gz	INQXRJZAXYHXHB-IZONXCODSA-O	1	0	482.919	3.512	40	0		JHABRO
CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000409059622	570113538	/nfs/dbraw/zinc/11/35/38/570113538.db2.gz	REBLCIGUYHXKBV-XZOQPEGZSA-O	1	0	465.936	3.561	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409061517	570114429	/nfs/dbraw/zinc/11/44/29/570114429.db2.gz	DXEKOPJJMIHWFO-RCJLJJIKSA-O	1	0	478.956	3.682	40	0		JHABRO
CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)CN(C)Cc1ccccn1)CC2	ZINC000257223816	570115256	/nfs/dbraw/zinc/11/52/56/570115256.db2.gz	DYZQLNUVGIRGGP-RUZDIDTESA-N	1	0	462.638	3.622	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1	ZINC000409063686	570115619	/nfs/dbraw/zinc/11/56/19/570115619.db2.gz	AZXYMYHXLMORJS-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CCN1C	ZINC000257231896	570117486	/nfs/dbraw/zinc/11/74/86/570117486.db2.gz	GIQHIUNGCDFSOU-JOCHJYFZSA-N	1	0	453.558	3.592	40	0		JHABRO
CC[NH+]1CCN(CCC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1	ZINC000257233290	570117941	/nfs/dbraw/zinc/11/79/41/570117941.db2.gz	GOQIYBQKESVYJT-QHCPKHFHSA-N	1	0	485.076	3.944	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409071051	570118255	/nfs/dbraw/zinc/11/82/55/570118255.db2.gz	ODGRUFJUNZCVFJ-GXTRAYHQSA-O	1	0	478.956	3.763	40	0		JHABRO
O=C(CC[NH+]1CCCC1)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1	ZINC000257235363	570118708	/nfs/dbraw/zinc/11/87/08/570118708.db2.gz	GXNAYRXCEISSIH-REWPJTCUSA-N	1	0	462.034	3.824	40	0		JHABRO
C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](c4n[nH]cc4-c4ccc(Cl)cc4)C3)ccn2)CC1	ZINC000257262265	570127083	/nfs/dbraw/zinc/12/70/83/570127083.db2.gz	LKSYXBSFJNDFED-FQEVSTJZSA-N	1	0	465.001	3.897	40	0		JHABRO
CCCn1c(=O)oc2cc(NC(=O)C[N@@H+]3C[C@H](c4ccc(F)cc4)[C@H]4COCC[C@H]43)ccc21	ZINC000257283889	570133854	/nfs/dbraw/zinc/13/38/54/570133854.db2.gz	PAIJHUOTADZLST-NJDAHSKKSA-N	1	0	453.514	3.587	40	0		JHABRO
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cccnc3)C2)ccc1Cl	ZINC000257304855	570139880	/nfs/dbraw/zinc/13/98/80/570139880.db2.gz	SNKKBXJHVUFZQQ-RUZDIDTESA-N	1	0	458.002	3.954	40	0		JHABRO
O=C(N1CCOC[C@@H](Cc2ccc3nccn3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1	ZINC000257326605	570146545	/nfs/dbraw/zinc/14/65/45/570146545.db2.gz	WXVYXWDQEDZEPI-QFIPXVFZSA-N	1	0	451.542	3.530	40	0		JHABRO
CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)CC1	ZINC000257334284	570148849	/nfs/dbraw/zinc/14/88/49/570148849.db2.gz	YFGNIMQSPLCDKR-NDEPHWFRSA-N	1	0	495.620	3.766	40	0		JHABRO
O=C(c1cccc(Cn2ccnc2)c1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2cnccn2)C1	ZINC000257341604	570150895	/nfs/dbraw/zinc/15/08/95/570150895.db2.gz	ZLASQOPCSXQBRB-RUZDIDTESA-N	1	0	466.589	3.538	40	0		JHABRO
COc1ccc(CCNC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1OC	ZINC000409183952	570160224	/nfs/dbraw/zinc/16/02/24/570160224.db2.gz	GTHJAFADVPKYRZ-UHFFFAOYSA-N	1	0	473.617	3.994	40	0		JHABRO
CCc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000260888498	570161739	/nfs/dbraw/zinc/16/17/39/570161739.db2.gz	OXUHBVPBPJOQTD-HXUWFJFHSA-N	1	0	457.640	3.706	40	0		JHABRO
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000260895253	570162298	/nfs/dbraw/zinc/16/22/98/570162298.db2.gz	JKRAOFVHYIPVHV-GOSISDBHSA-N	1	0	464.031	3.715	40	0		JHABRO
CCc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000260903995	570163023	/nfs/dbraw/zinc/16/30/23/570163023.db2.gz	ZLRHTDVNGXLLJF-HXUWFJFHSA-N	1	0	457.640	3.706	40	0		JHABRO
COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)cc1F	ZINC000328993188	570180844	/nfs/dbraw/zinc/18/08/44/570180844.db2.gz	IZSXAPHIHIYDDH-UHFFFAOYSA-N	1	0	465.451	3.751	40	0		JHABRO
COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1	ZINC000329024018	570182173	/nfs/dbraw/zinc/18/21/73/570182173.db2.gz	OYBXYITVRRPUFM-UHFFFAOYSA-N	1	0	475.515	3.870	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)NCc1ccccc1	ZINC000012709119	195094096	/nfs/dbraw/zinc/09/40/96/195094096.db2.gz	AKAVERTYESPAQO-UHFFFAOYSA-N	1	0	480.609	3.989	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCCc1ccccc1	ZINC000006193465	520646839	/nfs/dbraw/zinc/64/68/39/520646839.db2.gz	XNSAWDRXRZBYDL-UHFFFAOYSA-N	1	0	466.651	3.798	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006196685	521282991	/nfs/dbraw/zinc/28/29/91/521282991.db2.gz	XKCQPDRYYWFROI-UHFFFAOYSA-N	1	0	482.650	3.764	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000044872611	523783364	/nfs/dbraw/zinc/78/33/64/523783364.db2.gz	NCFUUPJGOUILDW-XMMPIXPASA-N	1	0	457.640	3.760	40	0		JHABRO
CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006197764	524057892	/nfs/dbraw/zinc/05/78/92/524057892.db2.gz	OVUARHPNKXOEQQ-JOCHJYFZSA-N	1	0	458.672	3.678	40	0		JHABRO
Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1C	ZINC000044874152	524901517	/nfs/dbraw/zinc/90/15/17/524901517.db2.gz	HNUJPAGLQNARRJ-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	ZINC000044875179	526656256	/nfs/dbraw/zinc/65/62/56/526656256.db2.gz	MZUVCISWEJLWKU-UHFFFAOYSA-N	1	0	487.641	3.670	40	0		JHABRO
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000013672363	526703188	/nfs/dbraw/zinc/70/31/88/526703188.db2.gz	XTOWHXZNWOEKRX-UHFFFAOYSA-N	1	0	494.455	3.637	40	0		JHABRO
O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H]1CCC[N@@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O	ZINC000014943572	527110727	/nfs/dbraw/zinc/11/07/27/527110727.db2.gz	JXYUNDORNGMXEL-YTEUAAESSA-N	1	0	477.564	3.708	40	0		JHABRO
CCc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O	ZINC000000896135	553832523	/nfs/dbraw/zinc/83/25/23/553832523.db2.gz	FGLXOOHTCHSOFP-UHFFFAOYSA-N	1	0	468.623	3.868	40	0		JHABRO
COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)N[C@H](C)c3ccccc3)cc2c1	ZINC000006283193	554526809	/nfs/dbraw/zinc/52/68/09/554526809.db2.gz	FZVMQDPOPGFAKI-GOSISDBHSA-N	1	0	452.624	3.926	40	0		JHABRO
O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000008995140	554855628	/nfs/dbraw/zinc/85/56/28/554855628.db2.gz	BALSSSKUZWURQG-TVQWTUMOSA-N	1	0	498.489	3.614	40	0		JHABRO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000009331356	555101087	/nfs/dbraw/zinc/10/10/87/555101087.db2.gz	LFDIDPHFTVIRKW-AGFSROSKSA-N	1	0	470.356	3.839	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000013498555	555422162	/nfs/dbraw/zinc/42/21/62/555422162.db2.gz	MAOKXZBXUPXDCT-QHCPKHFHSA-N	1	0	494.621	3.847	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCC1)c1cc(Cl)ccc1Cl	ZINC000013671293	555562882	/nfs/dbraw/zinc/56/28/82/555562882.db2.gz	AGWFDIZEVPQADF-UHFFFAOYSA-N	1	0	450.432	3.532	40	0		JHABRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(C)cc2)cc1	ZINC000013674147	555565414	/nfs/dbraw/zinc/56/54/14/555565414.db2.gz	YHDTUFUSIUKKBN-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000010111227	555622443	/nfs/dbraw/zinc/62/24/43/555622443.db2.gz	YPTUCUKVUUVYFY-UHFFFAOYSA-N	1	0	491.629	3.802	40	0		JHABRO
C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000010111267	555622501	/nfs/dbraw/zinc/62/25/01/555622501.db2.gz	SKHQEQUYVFMFBE-OAHLLOKOSA-N	1	0	450.432	3.530	40	0		JHABRO
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000010278288	555671683	/nfs/dbraw/zinc/67/16/83/555671683.db2.gz	FSSLGAACPUZYMK-UHFFFAOYSA-N	1	0	464.031	3.912	40	0		JHABRO
C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000010278376	555671735	/nfs/dbraw/zinc/67/17/35/555671735.db2.gz	FDNKKNXAFDQPHM-HXUWFJFHSA-N	1	0	459.612	3.626	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000010456960	555717348	/nfs/dbraw/zinc/71/73/48/555717348.db2.gz	IRKYVCZGTYCADX-QFIPXVFZSA-N	1	0	473.614	3.529	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1	ZINC000010540364	555724010	/nfs/dbraw/zinc/72/40/10/555724010.db2.gz	GBUOGJQUZHBASY-UHFFFAOYSA-N	1	0	464.031	3.774	40	0		JHABRO
CCCOc1ccc(N2C(=O)C[C@H](N3CCC([NH+]4CCN(c5ccc(F)cc5)CC4)CC3)C2=O)cc1	ZINC000020595519	555839090	/nfs/dbraw/zinc/83/90/90/555839090.db2.gz	RIAGKKUBNKEDAE-SANMLTNESA-N	1	0	494.611	3.533	40	0		JHABRO
COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)cc1OC	ZINC000015673613	555932880	/nfs/dbraw/zinc/93/28/80/555932880.db2.gz	DVIPTFIQULDTMG-SFTDATJTSA-N	1	0	479.577	3.746	40	0	biogenic,in-vitro	JHABRO
C[C@H]1CC(=O)c2cnc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2C1	ZINC000022933483	555986003	/nfs/dbraw/zinc/98/60/03/555986003.db2.gz	IXGIWOPNQMQECZ-HXUWFJFHSA-N	1	0	469.589	3.587	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	ZINC000026108818	556241614	/nfs/dbraw/zinc/24/16/14/556241614.db2.gz	HICYIUBYTYSVKH-UHFFFAOYSA-N	1	0	476.470	3.527	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	ZINC000026109869	556242289	/nfs/dbraw/zinc/24/22/89/556242289.db2.gz	QSVNVKOSMVILKS-KRWDZBQOSA-N	1	0	476.470	3.527	40	0		JHABRO
CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000013064282	556261945	/nfs/dbraw/zinc/26/19/45/556261945.db2.gz	ZHRRVVJEFKEKGQ-UPVQGACJSA-N	1	0	480.613	3.988	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000032464154	556436032	/nfs/dbraw/zinc/43/60/32/556436032.db2.gz	NPTDCJUJTWBOEL-OAQYLSRUSA-N	1	0	476.042	3.653	40	0		JHABRO
COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](CC3CCCCC3)C2)cc1	ZINC000035415744	560081365	/nfs/dbraw/zinc/08/13/65/560081365.db2.gz	UDTSWLBRSJZZGZ-VQTJNVASSA-N	1	0	471.623	3.657	40	0	biogenic,in-vitro	JHABRO
COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5N(Cc5ccccc5)C4=O)[C@@H]3C2=O)cc1	ZINC000033821641	569635542	/nfs/dbraw/zinc/63/55/42/569635542.db2.gz	BTOBZXHDANZKDV-NHICWYPXSA-N	1	0	493.563	3.721	40	0		JHABRO
COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@H](C)[NH2+][C@@H](C)C4)cc3)n[nH]2)cc(OC)c1	ZINC000091352092	569721231	/nfs/dbraw/zinc/72/12/31/569721231.db2.gz	VRQMAABPASPXMW-ROUUACIJSA-N	1	0	463.582	3.651	40	0	in-man	JHABRO
O=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCC([NH+]2CCCC2)CC1	ZINC000096155015	569736710	/nfs/dbraw/zinc/73/67/10/569736710.db2.gz	KWLJCKARACMIDV-UHFFFAOYSA-N	1	0	454.578	3.947	40	0		JHABRO
O=C1[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1	ZINC000100218273	569755757	/nfs/dbraw/zinc/75/57/57/569755757.db2.gz	HJRPWMQCDYZUOL-IKOOFXLXSA-N	1	0	463.537	3.713	40	0		JHABRO
Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000044874486	569839656	/nfs/dbraw/zinc/83/96/56/569839656.db2.gz	XRFVXOHXNRKPAB-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O	ZINC000113966050	569862681	/nfs/dbraw/zinc/86/26/81/569862681.db2.gz	RYPAOJNTVPNTBR-UHFFFAOYSA-N	1	0	479.046	3.585	40	0		JHABRO
COc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)CC1	ZINC000142972846	569867534	/nfs/dbraw/zinc/86/75/34/569867534.db2.gz	LTLUWMGZQDJMGV-UHFFFAOYSA-N	1	0	470.617	3.980	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218216909	569883024	/nfs/dbraw/zinc/88/30/24/569883024.db2.gz	NYGLKNUWDMPYNP-WFXMLNOXSA-N	1	0	481.412	3.611	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218632544	569883539	/nfs/dbraw/zinc/88/35/39/569883539.db2.gz	ZQMRKJPOIJTHCF-XQBPLPMBSA-N	1	0	450.988	3.810	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1	ZINC000224526744	569947252	/nfs/dbraw/zinc/94/72/52/569947252.db2.gz	PLRFTUTXAQLGRY-UHFFFAOYSA-N	1	0	455.624	3.528	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000224631077	569951529	/nfs/dbraw/zinc/95/15/29/569951529.db2.gz	UXNMQISUXNOBBV-QHCPKHFHSA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)CC2)cc1	ZINC000224679847	569953426	/nfs/dbraw/zinc/95/34/26/569953426.db2.gz	YOQPVCGJXWIEDV-UHFFFAOYSA-N	1	0	483.678	3.839	40	0		JHABRO
Cc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224692545	569953688	/nfs/dbraw/zinc/95/36/88/569953688.db2.gz	XGGBLLYOHVWHDD-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224824205	569959280	/nfs/dbraw/zinc/95/92/80/569959280.db2.gz	CJVJAFPPNQSVSZ-GOSISDBHSA-N	1	0	464.031	3.797	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	ZINC000224834891	569959676	/nfs/dbraw/zinc/95/96/76/569959676.db2.gz	MREBCLQISDFHCV-UHFFFAOYSA-N	1	0	487.641	3.670	40	0		JHABRO
CN(c1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1)S(C)(=O)=O	ZINC000224848502	569960293	/nfs/dbraw/zinc/96/02/93/569960293.db2.gz	JZJBSUQAFBAXSY-UHFFFAOYSA-N	1	0	450.004	3.652	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC	ZINC000225207612	569982391	/nfs/dbraw/zinc/98/23/91/569982391.db2.gz	BCERAAFVYZYZTA-JOCHJYFZSA-N	1	0	479.687	3.573	40	0		JHABRO
Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1	ZINC000253616914	570104981	/nfs/dbraw/zinc/10/49/81/570104981.db2.gz	YFUFSDDIJJIUDO-GBXCKJPGSA-N	1	0	461.614	3.918	40	0		JHABRO
CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)c2ccccc2c1=O	ZINC000257199199	570107502	/nfs/dbraw/zinc/10/75/02/570107502.db2.gz	WFJPDQLFFXTXBG-QIDJRYDTSA-N	1	0	460.622	3.942	40	0		JHABRO
CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC[C@@H]3c2cccc(F)c2)c(OCC(N)=O)c1	ZINC000257201461	570108134	/nfs/dbraw/zinc/10/81/34/570108134.db2.gz	AHUVSVQHBBPUAB-HSZRJFAPSA-N	1	0	481.612	3.873	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409059893	570113679	/nfs/dbraw/zinc/11/36/79/570113679.db2.gz	PCEUFAMIXAWDTM-WAUWHALJSA-O	1	0	493.381	3.782	40	0		JHABRO
Cc1cc(C(=O)N2CCOC[C@@H](Cc3cccc4cccnc43)C2)nc(C2(C)CC[NH+](C)CC2)n1	ZINC000257220951	570114444	/nfs/dbraw/zinc/11/44/44/570114444.db2.gz	DMXUBNNPDRZYJZ-NRFANRHFSA-N	1	0	473.621	3.648	40	0		JHABRO
OCCOc1ccc(C[N@H+](CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)cc1	ZINC000257221822	570114525	/nfs/dbraw/zinc/11/45/25/570114525.db2.gz	DQRAUZUHWOVDDA-NRFANRHFSA-N	1	0	466.603	3.516	40	0		JHABRO
COc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1	ZINC000409062501	570115103	/nfs/dbraw/zinc/11/51/03/570115103.db2.gz	VUIWTWGVSWUPFC-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1	ZINC000409063659	570115573	/nfs/dbraw/zinc/11/55/73/570115573.db2.gz	ASXHYLCKMGUOMS-LOSJGSFVSA-O	1	0	459.545	3.688	40	0		JHABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)O3)CC1	ZINC000257230943	570117214	/nfs/dbraw/zinc/11/72/14/570117214.db2.gz	GEOSUKVXJJFSCY-SANMLTNESA-N	1	0	469.532	3.847	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1	ZINC000409068158	570117302	/nfs/dbraw/zinc/11/73/02/570117302.db2.gz	KIUOZQSLRZTQRK-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC(=O)Nc1ccc2[nH]c(=O)oc2c1	ZINC000257249450	570123059	/nfs/dbraw/zinc/12/30/59/570123059.db2.gz	JIKQXZBDFAQDEK-NQIIRXRSSA-N	1	0	480.565	3.865	40	0		JHABRO
O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@H](Cc2cccn3nccc23)CC1	ZINC000257252564	570123837	/nfs/dbraw/zinc/12/38/37/570123837.db2.gz	JVEYLHAACKLXLB-QFIPXVFZSA-N	1	0	462.594	3.530	40	0		JHABRO
CC(=O)N[C@]12CN(C(=O)c3cccc(-n4nc(C)cc4C)c3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2	ZINC000257256590	570125269	/nfs/dbraw/zinc/12/52/69/570125269.db2.gz	KMDKOSVFMXAICF-STROYTFGSA-N	1	0	471.605	3.513	40	0		JHABRO
CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCCC3)n2)C[C@H](Cc2cccc3cccnc32)C1	ZINC000257280339	570132811	/nfs/dbraw/zinc/13/28/11/570132811.db2.gz	OKLRBRFPGSXJIX-QFIPXVFZSA-N	1	0	458.610	3.538	40	0		JHABRO
C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)C3CC[NH+](Cc4cccnc4)CC3)[C@H]1CCCC(=O)N2	ZINC000257290034	570135543	/nfs/dbraw/zinc/13/55/43/570135543.db2.gz	QBGXICUELKDRBV-QQNWGBJXSA-N	1	0	460.622	3.565	40	0		JHABRO
CC(C)n1nccc1NC(=O)C[N@@H+]1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2F)CC1	ZINC000257291823	570136127	/nfs/dbraw/zinc/13/61/27/570136127.db2.gz	QITRMHLQKXCWCX-QHCPKHFHSA-N	1	0	469.605	3.877	40	0		JHABRO
CC1(C(=O)N2CCOC[C@H](Cc3ccc4nccn4c3)C2)CC[NH+](CCc2ccccc2)CC1	ZINC000257296591	570137520	/nfs/dbraw/zinc/13/75/20/570137520.db2.gz	RDLRCVVLDDXRNU-RUZDIDTESA-N	1	0	460.622	3.697	40	0		JHABRO
COC(=O)c1ccnc(Nc2cccc(C3CCN(CC(=O)Nc4ccccc4F)CC3)n2)c1	ZINC000257317251	570143669	/nfs/dbraw/zinc/14/36/69/570143669.db2.gz	VIYUBXZRGQDENQ-UHFFFAOYSA-N	1	0	463.513	3.964	40	0		JHABRO
CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cn(C)c3cc(OC)ccc23)CCO1	ZINC000257319467	570144215	/nfs/dbraw/zinc/14/42/15/570144215.db2.gz	VSRGRSZURGQVFF-HXUWFJFHSA-N	1	0	450.564	3.730	40	0		JHABRO
Cc1cnn(C)c1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257338090	570149800	/nfs/dbraw/zinc/14/98/00/570149800.db2.gz	YVTMVRVUNRIWBW-VWLOTQADSA-N	1	0	475.033	3.600	40	0		JHABRO
O=C(c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCN(c2cc[nH+]cc2)CC1	ZINC000306129674	570178252	/nfs/dbraw/zinc/17/82/52/570178252.db2.gz	IJGCCFQPSDPSRL-DEOSSOPVSA-N	1	0	480.572	3.669	40	0		JHABRO
CC(C)[C@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328969434	570179818	/nfs/dbraw/zinc/17/98/18/570179818.db2.gz	DDYXPDQXOIYHEX-FQEVSTJZSA-N	1	0	467.536	4.273	40	0		JHABRO
C[NH+](C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329004789	570181198	/nfs/dbraw/zinc/18/11/98/570181198.db2.gz	KTPQAWPYDAEBAR-UHFFFAOYSA-N	1	0	467.442	3.750	40	0		JHABRO
CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3ccccc3OC)CC2)no1	ZINC000015673363	291509010	/nfs/dbraw/zinc/50/90/10/291509010.db2.gz	LLLDOOGUTQMNKD-SFTDATJTSA-N	1	0	454.615	3.533	40	0	biogenic,in-vitro	JHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1	ZINC000012710595	195094693	/nfs/dbraw/zinc/09/46/93/195094693.db2.gz	RAZBRJAULFATGS-NRFANRHFSA-N	1	0	468.598	3.628	40	0		JHABRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1	ZINC000020637102	195192227	/nfs/dbraw/zinc/19/22/27/195192227.db2.gz	DGQYPFBQLFCCDA-UXHICEINSA-N	1	0	475.376	3.522	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O	ZINC000006193242	520622300	/nfs/dbraw/zinc/62/23/00/520622300.db2.gz	JNNSSBJCYCLXFQ-UHFFFAOYSA-N	1	0	456.612	3.738	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1	ZINC000044904331	521005426	/nfs/dbraw/zinc/00/54/26/521005426.db2.gz	WSGKAOLNUNKIOQ-UHFFFAOYSA-N	1	0	450.004	3.993	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1	ZINC000044845358	521007785	/nfs/dbraw/zinc/00/77/85/521007785.db2.gz	PHKBFVQUJUHYSL-UHFFFAOYSA-N	1	0	450.004	3.993	40	0		JHABRO
CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006193143	521283463	/nfs/dbraw/zinc/28/34/63/521283463.db2.gz	YNPFEZVIIOYXRK-QFIPXVFZSA-N	1	0	474.671	3.514	40	0		JHABRO
C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1cccc(Cl)c1	ZINC000006198581	521749732	/nfs/dbraw/zinc/74/97/32/521749732.db2.gz	JIJKECMEQZBZEF-UHFFFAOYSA-N	1	0	458.971	3.671	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000020485524	523166351	/nfs/dbraw/zinc/16/63/51/523166351.db2.gz	GZNYFTCPZQCSSH-JOCHJYFZSA-N	1	0	470.079	3.653	40	0		JHABRO
COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1	ZINC000019563793	525641123	/nfs/dbraw/zinc/64/11/23/525641123.db2.gz	VJQIHDOVOJSWLH-RUZDIDTESA-N	1	0	491.640	3.678	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000044875222	526655898	/nfs/dbraw/zinc/65/58/98/526655898.db2.gz	GPUHJBLCRATQDI-MHZLTWQESA-N	1	0	497.705	3.963	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000044872765	526656529	/nfs/dbraw/zinc/65/65/29/526656529.db2.gz	QASJTHJHYAELIO-AREMUKBSSA-N	1	0	483.678	3.573	40	0		JHABRO
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000009063251	554881121	/nfs/dbraw/zinc/88/11/21/554881121.db2.gz	DNUBRXJNYQAGNK-UHFFFAOYSA-N	1	0	462.015	3.975	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O	ZINC000013494712	555405899	/nfs/dbraw/zinc/40/58/99/555405899.db2.gz	JXPFMFLIERIBJR-QHCPKHFHSA-N	1	0	488.592	3.848	40	0		JHABRO
COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1	ZINC000013498695	555423686	/nfs/dbraw/zinc/42/36/86/555423686.db2.gz	WPMVGTSJRZBNBM-QHCPKHFHSA-N	1	0	468.602	3.702	40	0		JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1	ZINC000013499646	555433899	/nfs/dbraw/zinc/43/38/99/555433899.db2.gz	UUFFALOFURMLER-QFIPXVFZSA-N	1	0	480.613	3.981	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1	ZINC000013500655	555442596	/nfs/dbraw/zinc/44/25/96/555442596.db2.gz	VDELKYMHKHREIO-DEOSSOPVSA-N	1	0	480.613	3.918	40	0		JHABRO
Cc1ccc(NC(=O)N(CCC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	ZINC000013511788	555483475	/nfs/dbraw/zinc/48/34/75/555483475.db2.gz	JKRJTATWOIPPJW-UHFFFAOYSA-N	1	0	450.539	3.594	40	0		JHABRO
Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000013563291	555498090	/nfs/dbraw/zinc/49/80/90/555498090.db2.gz	HDZRLTNYNGAPON-UHFFFAOYSA-N	1	0	490.069	3.830	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(C)cc2C)cc1	ZINC000013668764	555558123	/nfs/dbraw/zinc/55/81/23/555558123.db2.gz	VFZFXXUKMQRBFB-UHFFFAOYSA-N	1	0	457.640	3.799	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000013670934	555562024	/nfs/dbraw/zinc/56/20/24/555562024.db2.gz	LAEVZGHVENGKSJ-UHFFFAOYSA-N	1	0	473.683	3.523	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000013674602	555565965	/nfs/dbraw/zinc/56/59/65/555565965.db2.gz	SWTVKCQZFRCQAE-UHFFFAOYSA-N	1	0	487.666	3.971	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccccc2F)cc1	ZINC000010111153	555622099	/nfs/dbraw/zinc/62/20/99/555622099.db2.gz	FWZQKQDFJNTPFF-UHFFFAOYSA-N	1	0	461.603	3.712	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000010540376	555723992	/nfs/dbraw/zinc/72/39/92/555723992.db2.gz	PUDFKWWHHCGYDC-UHFFFAOYSA-N	1	0	473.639	3.519	40	0		JHABRO
Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000015139974	555880027	/nfs/dbraw/zinc/88/00/27/555880027.db2.gz	VJDQKOCXGSQDCM-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2ccc(C)c3C)c(Br)c1	ZINC000018126531	556291582	/nfs/dbraw/zinc/29/15/82/556291582.db2.gz	JYFFTTFOFVNVQH-MVOHMCPASA-N	1	0	494.389	3.806	40	0		JHABRO
CC1=C[C@@H](C[NH+]2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1	ZINC000030883415	556387000	/nfs/dbraw/zinc/38/70/00/556387000.db2.gz	QLYSCEBJWXFAIS-FUDKSRODSA-N	1	0	456.606	3.883	40	0	biogenic,in-vitro	JHABRO
OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC[NH+](C2CCC(F)(F)CC2)CC1	ZINC000225427443	560042912	/nfs/dbraw/zinc/04/29/12/560042912.db2.gz	SXRBTIJCDCPQGH-UHFFFAOYSA-N	1	0	477.625	3.722	40	0	biogenic,in-vitro	JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1	ZINC000008584105	562940525	/nfs/dbraw/zinc/94/05/25/562940525.db2.gz	MQNVJFPUBRZDJQ-XMMPIXPASA-N	1	0	480.613	3.836	40	0		JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1	ZINC000008586287	562940882	/nfs/dbraw/zinc/94/08/82/562940882.db2.gz	GAESXKISQQCEHB-QFIPXVFZSA-N	1	0	466.586	3.672	40	0		JHABRO
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000044871974	569839685	/nfs/dbraw/zinc/83/96/85/569839685.db2.gz	VTBYWNCNZLWVTN-GOSISDBHSA-N	1	0	464.031	3.715	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000218632692	569883532	/nfs/dbraw/zinc/88/35/32/569883532.db2.gz	ZQMRKJPOIJTHCF-CNNODRBYSA-N	1	0	450.988	3.810	40	0		JHABRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1CCC[NH+]1CCOCC1	ZINC000223531214	569914820	/nfs/dbraw/zinc/91/48/20/569914820.db2.gz	HEORITONQDSXDH-FTJBHMTQSA-N	1	0	490.677	3.790	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	ZINC000224514627	569946942	/nfs/dbraw/zinc/94/69/42/569946942.db2.gz	GEEYLIMBJRMRKZ-QHCPKHFHSA-N	1	0	490.069	3.794	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F	ZINC000224532327	569947469	/nfs/dbraw/zinc/94/74/69/569947469.db2.gz	AFXDAUQUGHJOIM-UHFFFAOYSA-N	1	0	461.603	3.674	40	0		JHABRO
C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000224629740	569951482	/nfs/dbraw/zinc/95/14/82/569951482.db2.gz	IKHSETOZTDMRMF-QGZVFWFLSA-N	1	0	483.556	3.772	40	0		JHABRO
CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1	ZINC000224631615	569951530	/nfs/dbraw/zinc/95/15/30/569951530.db2.gz	QTOUAPBVEIWPPC-DEOSSOPVSA-N	1	0	473.639	3.542	40	0		JHABRO
CCc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224689601	569953637	/nfs/dbraw/zinc/95/36/37/569953637.db2.gz	ZDSCUQWEPMKLOO-FQEVSTJZSA-N	1	0	457.640	3.706	40	0		JHABRO
CC(C)Oc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000224689031	569953674	/nfs/dbraw/zinc/95/36/74/569953674.db2.gz	BBXFCZICLCKRTH-UHFFFAOYSA-N	1	0	473.639	3.542	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000224691063	569953682	/nfs/dbraw/zinc/95/36/82/569953682.db2.gz	ODJXKFODXZAJSC-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
CCCn1c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2sc1=O	ZINC000224705379	569954290	/nfs/dbraw/zinc/95/42/90/569954290.db2.gz	XONNDAKWDAKYDH-UHFFFAOYSA-N	1	0	459.637	3.937	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc2ccccc21	ZINC000224766732	569956728	/nfs/dbraw/zinc/95/67/28/569956728.db2.gz	HLZIZNAZGRWRJS-UHFFFAOYSA-N	1	0	451.592	3.518	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224783214	569957380	/nfs/dbraw/zinc/95/73/80/569957380.db2.gz	FIIPODBJJIUNJC-QFIPXVFZSA-N	1	0	464.031	3.797	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224783502	569957400	/nfs/dbraw/zinc/95/74/00/569957400.db2.gz	ZUTUCUPYXUHTCP-JOCHJYFZSA-N	1	0	464.031	3.797	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1	ZINC000224827910	569959469	/nfs/dbraw/zinc/95/94/69/569959469.db2.gz	VQAKDZJBWYEJAD-UHFFFAOYSA-N	1	0	461.603	3.674	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)C2)cc1	ZINC000224853796	569960389	/nfs/dbraw/zinc/96/03/89/569960389.db2.gz	LDTZVUDOBFLCQK-XMMPIXPASA-N	1	0	469.651	3.698	40	0		JHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC	ZINC000225207654	569982417	/nfs/dbraw/zinc/98/24/17/569982417.db2.gz	BCERAAFVYZYZTA-QFIPXVFZSA-N	1	0	479.687	3.573	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242750526	570054034	/nfs/dbraw/zinc/05/40/34/570054034.db2.gz	ZQMRKJPOIJTHCF-KNKQGSTJSA-N	1	0	450.988	3.810	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000252514503	570082645	/nfs/dbraw/zinc/08/26/45/570082645.db2.gz	CQYWBLJYLUSQRQ-WOIUINJBSA-N	1	0	466.987	3.511	40	0		JHABRO
C[N@H+](Cc1cc(C(C)(C)C)ccc1OCc1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257206358	570109867	/nfs/dbraw/zinc/10/98/67/570109867.db2.gz	BDAHRKBGVGUCJQ-INNMJMHTSA-N	1	0	479.665	3.709	40	0		JHABRO
C[N@H+](CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000257207285	570110161	/nfs/dbraw/zinc/11/01/61/570110161.db2.gz	BHCBXDHTEWRUDZ-LUKWVAJMSA-N	1	0	462.537	3.913	40	0		JHABRO
O=C(c1ccccc1Cn1ccnc1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2cnccn2)C1	ZINC000257216268	570113097	/nfs/dbraw/zinc/11/30/97/570113097.db2.gz	CTUHTMZWQDYKIA-DEOSSOPVSA-N	1	0	466.589	3.538	40	0		JHABRO
COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000409061387	570114501	/nfs/dbraw/zinc/11/45/01/570114501.db2.gz	ZHQJHEFBGUKACE-GWLUTCJNSA-O	1	0	452.893	3.504	40	0		JHABRO
CC1(C)CCC2(CCN(CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)CN1S(C)(=O)=O	ZINC000257232605	570117788	/nfs/dbraw/zinc/11/77/88/570117788.db2.gz	GLPQCYYZLYTIHN-UHFFFAOYSA-N	1	0	485.075	3.804	40	0		JHABRO
O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](CCCc2ccccc2)CCO1)N1CCOCC1	ZINC000257271725	570130129	/nfs/dbraw/zinc/13/01/29/570130129.db2.gz	MZNOGNAJBPZCPP-AREMUKBSSA-N	1	0	473.013	3.672	40	0		JHABRO
C[N@@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)N1CCC(CC(=O)Nc2ccc3nccnc3c2)CC1	ZINC000257279694	570132583	/nfs/dbraw/zinc/13/25/83/570132583.db2.gz	OHTRFNIKLQIFBQ-MUUNZHRXSA-N	1	0	471.605	3.904	40	0		JHABRO
C[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)N1CCC(CC(=O)Nc2ccc3nccnc3c2)CC1	ZINC000257279695	570132599	/nfs/dbraw/zinc/13/25/99/570132599.db2.gz	OHTRFNIKLQIFBQ-NDEPHWFRSA-N	1	0	471.605	3.904	40	0		JHABRO
CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)CCC3CCCC3)CC2)CC1	ZINC000257282059	570133294	/nfs/dbraw/zinc/13/32/94/570133294.db2.gz	OSDZVUKUHOTVKD-UHFFFAOYSA-N	1	0	473.633	3.948	40	0		JHABRO
O=C(NC1CCCC1)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000257290420	570135752	/nfs/dbraw/zinc/13/57/52/570135752.db2.gz	QCWTYAQCZSTCJS-DEOSSOPVSA-N	1	0	486.620	3.975	40	0		JHABRO
C[C@@]1(C2CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)CN(Cc2ccccc2)C(=O)CO1	ZINC000257307822	570140757	/nfs/dbraw/zinc/14/07/57/570140757.db2.gz	TUHJMXWSMKVFEC-NDEPHWFRSA-N	1	0	472.589	3.601	40	0		JHABRO
CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1	ZINC000257326326	570146433	/nfs/dbraw/zinc/14/64/33/570146433.db2.gz	WWURQHLWIPTOCP-HHHXNRCGSA-N	1	0	486.584	3.513	40	0		JHABRO
O=C(N1CCOC[C@H](Cc2ccc3nccn3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1	ZINC000257326604	570146522	/nfs/dbraw/zinc/14/65/22/570146522.db2.gz	WXVYXWDQEDZEPI-JOCHJYFZSA-N	1	0	451.542	3.530	40	0		JHABRO
CCn1cc(C(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000257360789	570153849	/nfs/dbraw/zinc/15/38/49/570153849.db2.gz	HJDYTPQRSBDNJD-GYZFDLLFSA-N	1	0	475.589	3.785	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)cc1	ZINC000260890955	570162057	/nfs/dbraw/zinc/16/20/57/570162057.db2.gz	VWQQXENASOLMRW-DEOSSOPVSA-N	1	0	469.651	3.698	40	0		JHABRO
C[NH+](C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328984503	570180566	/nfs/dbraw/zinc/18/05/66/570180566.db2.gz	HNPOPLCQSIPJGF-UHFFFAOYSA-N	1	0	467.442	3.750	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(F)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329065955	570183627	/nfs/dbraw/zinc/18/36/27/570183627.db2.gz	XVULWTHANTVHFF-UHFFFAOYSA-N	1	0	453.415	3.881	40	0		JHABRO
CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)c1	ZINC000408571785	570204779	/nfs/dbraw/zinc/20/47/79/570204779.db2.gz	FYJUHECTVYPQSL-QGZVFWFLSA-N	1	0	484.622	3.529	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H]([NH2+]CCNC(C)=O)C[C@@H](c3ccc(F)c(F)c3)N12	ZINC000012603055	195048067	/nfs/dbraw/zinc/04/80/67/195048067.db2.gz	YOLBLPLZAWWVJM-JEQOYQROSA-N	1	0	496.558	3.516	40	0	biogenic,in-vitro	JHABRO
COc1ccc(OC)c(NC(=O)COc2cc3ccccc3cc2C(=O)NCCC[NH+](C)C)c1	ZINC000021085488	195273897	/nfs/dbraw/zinc/27/38/97/195273897.db2.gz	BHOYUENCCVRNGB-UHFFFAOYSA-N	1	0	465.550	3.556	40	0		JHABRO
Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000224821038	195461651	/nfs/dbraw/zinc/46/16/51/195461651.db2.gz	PJFDFYUYIFCKGB-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1	ZINC000044872005	519034106	/nfs/dbraw/zinc/03/41/06/519034106.db2.gz	VFCBBICFSNPJLI-UHFFFAOYSA-N	1	0	457.640	3.662	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1	ZINC000006193119	520619439	/nfs/dbraw/zinc/61/94/39/520619439.db2.gz	MOVNIZNOTZISPM-OAQYLSRUSA-N	1	0	458.672	3.732	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccccc1	ZINC000006078358	520647000	/nfs/dbraw/zinc/64/70/00/520647000.db2.gz	XBMYTMSHVSOKRL-UHFFFAOYSA-N	1	0	466.607	3.840	40	0		JHABRO
COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1	ZINC000013671216	523817973	/nfs/dbraw/zinc/81/79/73/523817973.db2.gz	OYGOUZHMOSLQRA-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
CCc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000013670443	523959565	/nfs/dbraw/zinc/95/95/65/523959565.db2.gz	OXVRRQZVZKTURV-UHFFFAOYSA-N	1	0	457.640	3.683	40	0		JHABRO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000044874171	524205396	/nfs/dbraw/zinc/20/53/96/524205396.db2.gz	TVKFJWJMFCJGTF-SFHVURJKSA-N	1	0	464.031	3.797	40	0		JHABRO
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000044871969	524729606	/nfs/dbraw/zinc/72/96/06/524729606.db2.gz	VTBYWNCNZLWVTN-SFHVURJKSA-N	1	0	464.031	3.715	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccc2c(c1)OCO2	ZINC000012481889	527125780	/nfs/dbraw/zinc/12/57/80/527125780.db2.gz	XDIUVJHSUMMVIV-OALUTQOASA-N	1	0	451.498	3.684	40	0	biogenic,in-vitro	JHABRO
COC(=O)c1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O	ZINC000000885328	553824478	/nfs/dbraw/zinc/82/44/78/553824478.db2.gz	JSPYYZNVNJCBEO-UHFFFAOYSA-N	1	0	466.607	3.692	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1	ZINC000013500616	555442110	/nfs/dbraw/zinc/44/21/10/555442110.db2.gz	CHMOWFAWFJVUMJ-HSZRJFAPSA-N	1	0	466.586	3.528	40	0		JHABRO
CC(C)c1ccc(NC(=[NH2+])Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1	ZINC000013634049	555543975	/nfs/dbraw/zinc/54/39/75/555543975.db2.gz	RARPZWWNDKQRDM-UHFFFAOYSA-N	1	0	461.555	3.620	40	0		JHABRO
Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1	ZINC000019941464	555560489	/nfs/dbraw/zinc/56/04/89/555560489.db2.gz	MKPZGFUXMUVHQO-MHZLTWQESA-N	1	0	497.647	3.911	40	0		JHABRO
CSc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(C)cc2)cc1	ZINC000013674769	555565984	/nfs/dbraw/zinc/56/59/84/555565984.db2.gz	IZBPLKMHTSCNHO-UHFFFAOYSA-N	1	0	461.653	3.514	40	0		JHABRO
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1	ZINC000010111130	555622228	/nfs/dbraw/zinc/62/22/28/555622228.db2.gz	WWOKVYCICFXWKU-UHFFFAOYSA-N	1	0	464.031	3.918	40	0		JHABRO
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000010277284	555671450	/nfs/dbraw/zinc/67/14/50/555671450.db2.gz	TZRDRHIWKHRAJE-UHFFFAOYSA-N	1	0	483.556	3.893	40	0		JHABRO
Cc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000010278833	555672007	/nfs/dbraw/zinc/67/20/07/555672007.db2.gz	DSXGLQHLILLQMQ-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(C(C)C)cc2)cc1	ZINC000010450051	555716463	/nfs/dbraw/zinc/71/64/63/555716463.db2.gz	JLRPTFNZLIRPSS-UHFFFAOYSA-N	1	0	457.640	3.916	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000010540467	555723987	/nfs/dbraw/zinc/72/39/87/555723987.db2.gz	BVUBYPXTGCAQJF-UHFFFAOYSA-N	1	0	487.666	3.827	40	0		JHABRO
COCCn1nnnc1[C@@H](c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022928842	555980474	/nfs/dbraw/zinc/98/04/74/555980474.db2.gz	XRVXRWHBKMYPSF-HHHXNRCGSA-N	1	0	468.605	3.816	40	0		JHABRO
COc1ccc(Cn2nnnc2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000022929462	555981703	/nfs/dbraw/zinc/98/17/03/555981703.db2.gz	SQFJUMNPPWUVLM-UHFFFAOYSA-N	1	0	454.578	3.637	40	0		JHABRO
COc1ccc(Cn2nnnc2[C@H](c2ccc(OC)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022929511	555981995	/nfs/dbraw/zinc/98/19/95/555981995.db2.gz	HYPBGBFPDWGCDC-SANMLTNESA-N	1	0	476.625	3.778	40	0		JHABRO
CC1=C[C@@H](C[NH+]2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1	ZINC000035442675	560079744	/nfs/dbraw/zinc/07/97/44/560079744.db2.gz	NOJUGLUBBHKUNU-GNKBHMEESA-N	1	0	481.685	3.810	40	0	biogenic,in-vitro	JHABRO
CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)cc1Br	ZINC000057316173	569597465	/nfs/dbraw/zinc/59/74/65/569597465.db2.gz	TWURBTTYKONLPQ-UHFFFAOYSA-N	1	0	476.371	3.639	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cc3ccccc3cc2OC)c1	ZINC000059294096	569602448	/nfs/dbraw/zinc/60/24/48/569602448.db2.gz	JAXZPFOZXLBPGU-UHFFFAOYSA-N	1	0	492.601	3.514	40	0		JHABRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000034828967	569662972	/nfs/dbraw/zinc/66/29/72/569662972.db2.gz	JJHRXZGFKLPUEV-FLFXDLLNSA-N	1	0	453.901	3.527	40	0		JHABRO
O=C(c1ccc(F)cc1)N1CCC(C2CC[NH+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)CC1	ZINC000100226927	569755873	/nfs/dbraw/zinc/75/58/73/569755873.db2.gz	HWUBTXFEGSIJDM-RUZDIDTESA-N	1	0	477.580	3.718	40	0		JHABRO
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039747982	569811173	/nfs/dbraw/zinc/81/11/73/569811173.db2.gz	HYBCPIYRGWIQQJ-UHFFFAOYSA-N	1	0	462.015	3.975	40	0		JHABRO
CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000044873908	569839649	/nfs/dbraw/zinc/83/96/49/569839649.db2.gz	BAPFPMLOSJRKMT-HXUWFJFHSA-N	1	0	473.639	3.542	40	0		JHABRO
CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218238168	569883065	/nfs/dbraw/zinc/88/30/65/569883065.db2.gz	BOWLFEHJDBTTOD-LNLFQRSKSA-N	1	0	472.788	3.550	40	0		JHABRO
COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1	ZINC000223293223	569906420	/nfs/dbraw/zinc/90/64/20/569906420.db2.gz	GVHHZYDEMXZMSH-FCHUYYIVSA-N	1	0	450.564	3.662	40	0		JHABRO
CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1	ZINC000224395861	569943147	/nfs/dbraw/zinc/94/31/47/569943147.db2.gz	WBIYADNKDNURNQ-UHFFFAOYSA-N	1	0	499.677	3.902	40	0		JHABRO
Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	ZINC000224402200	569943399	/nfs/dbraw/zinc/94/33/99/569943399.db2.gz	OAHSAVBLLBYUTD-UHFFFAOYSA-N	1	0	499.677	3.577	40	0		JHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000224507186	569946618	/nfs/dbraw/zinc/94/66/18/569946618.db2.gz	XUFFFCAIFKDGHZ-UHFFFAOYSA-N	1	0	455.624	3.528	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O	ZINC000224509870	569946721	/nfs/dbraw/zinc/94/67/21/569946721.db2.gz	JUXSZKYTJKAUCA-QHCPKHFHSA-N	1	0	457.640	3.760	40	0		JHABRO
CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	ZINC000224511242	569946749	/nfs/dbraw/zinc/94/67/49/569946749.db2.gz	QRAKJEYYHBQDET-JOCHJYFZSA-N	1	0	494.057	3.805	40	0		JHABRO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000224619880	569951088	/nfs/dbraw/zinc/95/10/88/569951088.db2.gz	QUHUZFBOSQQUNY-XMMPIXPASA-N	1	0	457.640	3.760	40	0		JHABRO
Cc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1	ZINC000224686224	569953524	/nfs/dbraw/zinc/95/35/24/569953524.db2.gz	CFZRMDDFBXSDCU-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000224687225	569953564	/nfs/dbraw/zinc/95/35/64/569953564.db2.gz	SSPQCCQEHPMSRF-QHCPKHFHSA-N	1	0	476.042	3.795	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224783453	569957396	/nfs/dbraw/zinc/95/73/96/569957396.db2.gz	ZUTUCUPYXUHTCP-QFIPXVFZSA-N	1	0	464.031	3.797	40	0		JHABRO
Cc1cc(C)cc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1	ZINC000224797165	569958027	/nfs/dbraw/zinc/95/80/27/569958027.db2.gz	XRBFEDSMNLOPBL-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1C	ZINC000224820966	569959152	/nfs/dbraw/zinc/95/91/52/569959152.db2.gz	DGYPXNGELVAEDY-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl	ZINC000224825208	569959343	/nfs/dbraw/zinc/95/93/43/569959343.db2.gz	RBPCXWFCNXHUDN-SFHVURJKSA-N	1	0	494.057	3.805	40	0		JHABRO
Cc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224841111	569959837	/nfs/dbraw/zinc/95/98/37/569959837.db2.gz	GUQUJBFHQCBBIM-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
CCOc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000224846933	569960211	/nfs/dbraw/zinc/96/02/11/569960211.db2.gz	YARYGXORADYYKH-UHFFFAOYSA-N	1	0	487.666	3.934	40	0		JHABRO
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCCC2)cc1OC	ZINC000225108548	569975453	/nfs/dbraw/zinc/97/54/53/569975453.db2.gz	ZULIPCXWWCTVNN-JZJYNLBNSA-N	1	0	457.596	3.528	40	0		JHABRO
COc1ccc(OC)c(NC(=S)NC2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)c1	ZINC000225227765	569984096	/nfs/dbraw/zinc/98/40/96/569984096.db2.gz	QHDLOHZGNOUXCZ-UHFFFAOYSA-N	1	0	475.611	3.681	40	0		JHABRO
O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1)Nc1ccccc1	ZINC000225498829	570000126	/nfs/dbraw/zinc/00/01/26/570000126.db2.gz	MERDLFDNHWIZNT-ZEQRLZLVSA-N	1	0	454.559	3.879	40	0		JHABRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242548811	570053959	/nfs/dbraw/zinc/05/39/59/570053959.db2.gz	LUIVTCSJUVULPM-KNKQGSTJSA-N	1	0	495.439	3.919	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409053467	570110765	/nfs/dbraw/zinc/11/07/65/570110765.db2.gz	KDXCMGMKMHSNHS-CLJLJLNGSA-O	1	0	489.571	3.697	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1	ZINC000409059580	570113422	/nfs/dbraw/zinc/11/34/22/570113422.db2.gz	SFORDMNDNDEOQY-CLJLJLNGSA-O	1	0	455.582	3.857	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409059889	570113508	/nfs/dbraw/zinc/11/35/08/570113508.db2.gz	PCEUFAMIXAWDTM-LMOLPZMTSA-O	1	0	493.381	3.782	40	0		JHABRO
Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409060471	570113919	/nfs/dbraw/zinc/11/39/19/570113919.db2.gz	VSCIOIPZIQXJAO-VTPLCQIWSA-O	1	0	481.345	3.913	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1	ZINC000409062504	570115097	/nfs/dbraw/zinc/11/50/97/570115097.db2.gz	VUIWTWGVSWUPFC-VTPLCQIWSA-O	1	0	452.893	3.504	40	0		JHABRO
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCC(NC(=O)C4CCCCC4)CC3)n2)n[nH]1	ZINC000257226780	570116189	/nfs/dbraw/zinc/11/61/89/570116189.db2.gz	FMCWXGUBEKQSHW-UHFFFAOYSA-N	1	0	494.688	3.801	40	0		JHABRO
C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1ncc3ccccc3c1=O)[C@H]2Cc1ccccc1	ZINC000257228452	570116574	/nfs/dbraw/zinc/11/65/74/570116574.db2.gz	FTXKESMIHRUKLK-RVQLLOJVSA-N	1	0	470.617	3.872	40	0		JHABRO
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@H]1c1ccnc2c(C(=O)NC3CCCC3)cnn21	ZINC000257230563	570117255	/nfs/dbraw/zinc/11/72/55/570117255.db2.gz	GCWJPTPKKNXUEM-QFIPXVFZSA-N	1	0	466.630	3.721	40	0		JHABRO
CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409071052	570118220	/nfs/dbraw/zinc/11/82/20/570118220.db2.gz	ODGRUFJUNZCVFJ-OCZZZQCFSA-O	1	0	478.956	3.763	40	0		JHABRO
COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1OC	ZINC000409075741	570120002	/nfs/dbraw/zinc/12/00/02/570120002.db2.gz	ZYTNATRQFKBFAV-UJYVDFKESA-O	1	0	478.956	3.682	40	0		JHABRO
C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000257246333	570122048	/nfs/dbraw/zinc/12/20/48/570122048.db2.gz	ITPUAOMIKWBDSC-IBGZPJMESA-N	1	0	490.526	3.549	40	0		JHABRO
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Oc1ccccc1	ZINC000257255199	570124652	/nfs/dbraw/zinc/12/46/52/570124652.db2.gz	KGNHBXIKAHQIRL-AHWVRZQESA-N	1	0	463.622	3.673	40	0		JHABRO
CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCCCC1	ZINC000257274641	570131001	/nfs/dbraw/zinc/13/10/01/570131001.db2.gz	NLYKORJAOWECKT-HSZRJFAPSA-N	1	0	474.609	3.784	40	0		JHABRO
Cc1cnn(C)c1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1	ZINC000257298940	570138036	/nfs/dbraw/zinc/13/80/36/570138036.db2.gz	RNZMTCUNJVWBBK-SANMLTNESA-N	1	0	488.076	3.516	40	0		JHABRO
O=c1[nH]c(C2CC[NH+](Cc3cccc(F)c3F)CC2)nc2c1nnn2Cc1cccc(F)c1	ZINC000257313851	570142694	/nfs/dbraw/zinc/14/26/94/570142694.db2.gz	UUJOMWGWVOYKRG-UHFFFAOYSA-N	1	0	454.456	3.772	40	0		JHABRO
O=C1NCCNC(=O)C2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C/C=C/COc2ccccc21	ZINC000257324444	570145816	/nfs/dbraw/zinc/14/58/16/570145816.db2.gz	WOSDZWFHWSSBIQ-AATRIKPKSA-N	1	0	472.589	3.635	40	0		JHABRO
Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1Cl	ZINC000260886168	570161601	/nfs/dbraw/zinc/16/16/01/570161601.db2.gz	GEUKQEFOXDSQCU-GOSISDBHSA-N	1	0	464.031	3.715	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000408572128	570204884	/nfs/dbraw/zinc/20/48/84/570204884.db2.gz	GVIYQVITOMCHNN-UHFFFAOYSA-N	1	0	481.405	3.659	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1	ZINC000001375470	194110240	/nfs/dbraw/zinc/11/02/40/194110240.db2.gz	XEUJCRBAXRCAJM-QFIPXVFZSA-N	1	0	480.613	3.981	40	0		JHABRO
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H]([NH+]3CCOCC3)C[C@@H](c3ccc(F)cc3)N21	ZINC000012603248	195048367	/nfs/dbraw/zinc/04/83/67/195048367.db2.gz	XYPFTBZGCMKASS-MNVNNWCQSA-N	1	0	463.553	3.984	40	0	biogenic,in-vitro	JHABRO
CC(C)c1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000044873735	519836655	/nfs/dbraw/zinc/83/66/55/519836655.db2.gz	ILJJVTQKCMDQPD-UHFFFAOYSA-N	1	0	457.640	3.878	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCc1ccco1	ZINC000006193033	520597208	/nfs/dbraw/zinc/59/72/08/520597208.db2.gz	GKRGOYDNORJRLA-UHFFFAOYSA-N	1	0	456.612	3.738	40	0		JHABRO
CC1CC[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1	ZINC000022525933	521006931	/nfs/dbraw/zinc/00/69/31/521006931.db2.gz	USCWQVYPNNTJIP-UHFFFAOYSA-N	1	0	450.004	3.993	40	0		JHABRO
COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccccc1Cl	ZINC000016363654	522453267	/nfs/dbraw/zinc/45/32/67/522453267.db2.gz	NYSYQNWBEQRXIO-UHFFFAOYSA-N	1	0	454.383	3.986	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000020451425	523167122	/nfs/dbraw/zinc/16/71/22/523167122.db2.gz	CNMJNJOZVVKSNO-OAQYLSRUSA-N	1	0	470.079	3.653	40	0		JHABRO
Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000044874163	524409951	/nfs/dbraw/zinc/40/99/51/524409951.db2.gz	YLXYLIFYAUOCBV-NRFANRHFSA-N	1	0	457.640	3.760	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1	ZINC000044873207	525154575	/nfs/dbraw/zinc/15/45/75/525154575.db2.gz	QTQJRXLDIYYQHE-UHFFFAOYSA-N	1	0	464.031	3.798	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCc1ccccc1	ZINC000006193352	554517384	/nfs/dbraw/zinc/51/73/84/554517384.db2.gz	PXVCLNXAINMFKY-UHFFFAOYSA-N	1	0	452.624	3.755	40	0		JHABRO
COc1cc2cc(CN(CCC[NH+](C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2cc1OC	ZINC000006283084	554526078	/nfs/dbraw/zinc/52/60/78/554526078.db2.gz	BWIJZSZRSIHQDA-SFHVURJKSA-N	1	0	482.650	3.935	40	0		JHABRO
Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1	ZINC000006301448	554530205	/nfs/dbraw/zinc/53/02/05/554530205.db2.gz	TWDBXGUMIRFVBB-UHFFFAOYSA-N	1	0	480.634	3.702	40	0		JHABRO
COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1	ZINC000013498834	555425130	/nfs/dbraw/zinc/42/51/30/555425130.db2.gz	UYZNWKVALBOLLM-XMMPIXPASA-N	1	0	498.628	3.710	40	0		JHABRO
CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000010277590	555671440	/nfs/dbraw/zinc/67/14/40/555671440.db2.gz	DMZNVIZUVYLISF-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1	ZINC000010277222	555671455	/nfs/dbraw/zinc/67/14/55/555671455.db2.gz	CQYLBRNZYKJYET-UHFFFAOYSA-N	1	0	450.004	3.528	40	0		JHABRO
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1	ZINC000010450047	555716435	/nfs/dbraw/zinc/71/64/35/555716435.db2.gz	AOGGXSDEBCMCRC-UHFFFAOYSA-N	1	0	470.422	3.791	40	0		JHABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)N1CCN(Cc2ccccc2)CC1	ZINC000015673558	555932872	/nfs/dbraw/zinc/93/28/72/555932872.db2.gz	DRUHLAWIHKSWLB-DQEYMECFSA-N	1	0	488.632	3.756	40	0	biogenic,in-vitro	JHABRO
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000022924953	555977039	/nfs/dbraw/zinc/97/70/39/555977039.db2.gz	JLXKBSWKEPPCTM-XMMPIXPASA-N	1	0	493.656	3.708	40	0		JHABRO
CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1	ZINC000013064087	556261440	/nfs/dbraw/zinc/26/14/40/556261440.db2.gz	NEUXMWIDNOCFFC-LADGPHEKSA-N	1	0	480.613	3.988	40	0		JHABRO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000018835609	556324548	/nfs/dbraw/zinc/32/45/48/556324548.db2.gz	PKOUMAUGZBQILQ-HBMCJLEFSA-N	1	0	476.687	3.624	40	0		JHABRO
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2c1	ZINC000019220779	556334925	/nfs/dbraw/zinc/33/49/25/556334925.db2.gz	QGHCWLWUMMJDSL-VWLOTQADSA-N	1	0	475.641	3.978	40	0		JHABRO
COc1ccc(OC)c([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000019551230	556353673	/nfs/dbraw/zinc/35/36/73/556353673.db2.gz	IXMKNOXPOPEECO-SANMLTNESA-N	1	0	476.625	3.778	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc3ccccc32)c1	ZINC000057315625	569597140	/nfs/dbraw/zinc/59/71/40/569597140.db2.gz	NVPDQJUGJMDXNW-UHFFFAOYSA-N	1	0	462.575	3.505	40	0		JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1	ZINC000059294191	569602434	/nfs/dbraw/zinc/60/24/34/569602434.db2.gz	HEVHBXSDPYCKJD-UHFFFAOYSA-N	1	0	462.575	3.505	40	0		JHABRO
COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CCN(c5cc[nH+]cc5)CC4)cn32)cc1	ZINC000096146172	569736561	/nfs/dbraw/zinc/73/65/61/569736561.db2.gz	GJYABCRGZOBODJ-UHFFFAOYSA-N	1	0	455.562	3.942	40	0		JHABRO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000101342879	569793619	/nfs/dbraw/zinc/79/36/19/569793619.db2.gz	MIZHYXVCKPFOEU-KLSTYFJDSA-N	1	0	460.292	3.564	40	0		JHABRO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000101343456	569793735	/nfs/dbraw/zinc/79/37/35/569793735.db2.gz	OIRQYYWGWGDPGU-NWFVXXGESA-N	1	0	456.329	3.733	40	0		JHABRO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000103530078	569835867	/nfs/dbraw/zinc/83/58/67/569835867.db2.gz	JJHRXZGFKLPUEV-ZVVFGRKBSA-N	1	0	453.901	3.527	40	0		JHABRO
CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218216790	569882992	/nfs/dbraw/zinc/88/29/92/569882992.db2.gz	NYGLKNUWDMPYNP-LQWHRVPQSA-N	1	0	481.412	3.611	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218671113	569883520	/nfs/dbraw/zinc/88/35/20/569883520.db2.gz	QKKZJRGUJBBEID-BBTUJRGHSA-N	1	0	454.951	3.641	40	0		JHABRO
COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1	ZINC000223250612	569904885	/nfs/dbraw/zinc/90/48/85/569904885.db2.gz	OIRJYISIYOHGGY-GOTSBHOMSA-N	1	0	463.607	3.583	40	0		JHABRO
Cc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224219370	569936988	/nfs/dbraw/zinc/93/69/88/569936988.db2.gz	YHWNVLVZSVXEIA-UHFFFAOYSA-N	1	0	450.004	3.689	40	0		JHABRO
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000224330156	569940871	/nfs/dbraw/zinc/94/08/71/569940871.db2.gz	VWBDARZWNNVDDS-UHFFFAOYSA-N	1	0	485.650	3.656	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000224503983	569946526	/nfs/dbraw/zinc/94/65/26/569946526.db2.gz	QJGXXTSLAVQLBO-UHFFFAOYSA-N	1	0	485.650	3.642	40	0		JHABRO
CCOc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000224512286	569946840	/nfs/dbraw/zinc/94/68/40/569946840.db2.gz	CQRZHRRFHONQLJ-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)cc1	ZINC000224539668	569947692	/nfs/dbraw/zinc/94/76/92/569947692.db2.gz	VWQQXENASOLMRW-XMMPIXPASA-N	1	0	469.651	3.698	40	0		JHABRO
Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1Cl	ZINC000224654901	569952362	/nfs/dbraw/zinc/95/23/62/569952362.db2.gz	CGYNHVRZOPBTLX-UHFFFAOYSA-N	1	0	464.031	3.717	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000224677378	569953300	/nfs/dbraw/zinc/95/33/00/569953300.db2.gz	AKUBTMBXTCAZOG-DEOSSOPVSA-N	1	0	457.640	3.842	40	0		JHABRO
Cc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000224686146	569953522	/nfs/dbraw/zinc/95/35/22/569953522.db2.gz	BEJCVEAPDCJYQJ-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000224778100	569957198	/nfs/dbraw/zinc/95/71/98/569957198.db2.gz	OLKMAVOFIMQPLL-UHFFFAOYSA-N	1	0	485.650	3.642	40	0		JHABRO
CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1	ZINC000224791864	569957806	/nfs/dbraw/zinc/95/78/06/569957806.db2.gz	BTRBHMWRHZMRCK-UHFFFAOYSA-N	1	0	464.031	3.798	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	ZINC000224796607	569958014	/nfs/dbraw/zinc/95/80/14/569958014.db2.gz	IARUBUUIMLBODQ-OAQYLSRUSA-N	1	0	494.057	3.805	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	ZINC000224799708	569958130	/nfs/dbraw/zinc/95/81/30/569958130.db2.gz	CPPORCSKWYZSJU-HSZRJFAPSA-N	1	0	490.069	3.794	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000224804778	569958341	/nfs/dbraw/zinc/95/83/41/569958341.db2.gz	MIOMJTGGQVZENG-OAQYLSRUSA-N	1	0	476.042	3.653	40	0		JHABRO
CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc2ccccc21	ZINC000224815760	569958899	/nfs/dbraw/zinc/95/88/99/569958899.db2.gz	HXJIFAPDUFKFIC-UHFFFAOYSA-N	1	0	465.619	3.908	40	0		JHABRO
CCCn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2sc1=O	ZINC000224854451	569960384	/nfs/dbraw/zinc/96/03/84/569960384.db2.gz	HWMICHZCYPJXFW-UHFFFAOYSA-N	1	0	459.637	3.937	40	0		JHABRO
COc1cc(C[NH+]2CCC(NC(=S)Nc3ccc(C(C)=O)cc3)CC2)cc(OC)c1OC	ZINC000225228554	569984178	/nfs/dbraw/zinc/98/41/78/569984178.db2.gz	FQPTULYJJYPTCB-UHFFFAOYSA-N	1	0	457.596	3.866	40	0		JHABRO
CC(C)n1c2ccc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2sc1=O	ZINC000225717916	570017231	/nfs/dbraw/zinc/01/72/31/570017231.db2.gz	ZBMVXFCHORNGJD-UHFFFAOYSA-N	1	0	461.609	3.918	40	0		JHABRO
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1	ZINC000242548035	570053845	/nfs/dbraw/zinc/05/38/45/570053845.db2.gz	KZUVDLYIOIXBSS-WOIUINJBSA-N	1	0	450.988	3.810	40	0		JHABRO
CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000252516169	570082778	/nfs/dbraw/zinc/08/27/78/570082778.db2.gz	QKKZJRGUJBBEID-WAOWUJCRSA-N	1	0	454.951	3.641	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409052688	570110462	/nfs/dbraw/zinc/11/04/62/570110462.db2.gz	HRXCOOOFRPFZNI-UIOOFZCWSA-O	1	0	471.581	3.558	40	0		JHABRO
CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)CN(C)Cc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1	ZINC000257215711	570112745	/nfs/dbraw/zinc/11/27/45/570112745.db2.gz	CRHMANKKTILNRF-DYXRGMLLSA-N	1	0	474.649	3.905	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1	ZINC000409058089	570112821	/nfs/dbraw/zinc/11/28/21/570112821.db2.gz	SIGNIVLEKVLOMU-MHJDAMONSA-O	1	0	460.529	3.974	40	0		JHABRO
Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Br)cc3)[C@@H]2c2ccccc2)c1	ZINC000409060738	570113954	/nfs/dbraw/zinc/11/39/54/570113954.db2.gz	XJOCSRPCQRGZCY-DCFWFYTKSA-O	1	0	463.355	3.774	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1	ZINC000409063660	570115584	/nfs/dbraw/zinc/11/55/84/570115584.db2.gz	ASXHYLCKMGUOMS-RPBOFIJWSA-O	1	0	459.545	3.688	40	0		JHABRO
C[C@]12C[C@@H](Cc3ccccc3)[N@H+](CC(=O)Nc3ccc(OC(F)F)cc3)[C@H]1CCCC(=O)N2	ZINC000257228110	570116600	/nfs/dbraw/zinc/11/66/00/570116600.db2.gz	FSIASUHKFTZEJG-QVNIBDNGSA-N	1	0	457.521	3.971	40	0		JHABRO
COc1cc(C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)ccc1OCCn1ccnc1	ZINC000257239080	570119897	/nfs/dbraw/zinc/11/98/97/570119897.db2.gz	HNWOCGNPOOPGSG-UHFFFAOYSA-N	1	0	455.530	3.516	40	0		JHABRO
NC(=O)COc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1	ZINC000257240423	570120381	/nfs/dbraw/zinc/12/03/81/570120381.db2.gz	HTLFUOUSHPOKNS-BDYUSTAISA-N	1	0	494.563	3.673	40	0		JHABRO
COCC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cc(F)ccc4OC)c3)CCOCC2)C1	ZINC000257291321	570136017	/nfs/dbraw/zinc/13/60/17/570136017.db2.gz	QGMARTCOIICXJX-JOCHJYFZSA-N	1	0	484.612	3.925	40	0		JHABRO
C[N@H+](Cc1ccc(C(C)(C)C)cc1OCc1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257300901	570138773	/nfs/dbraw/zinc/13/87/73/570138773.db2.gz	RWDNMWJHVWUMLD-INNMJMHTSA-N	1	0	479.665	3.709	40	0		JHABRO
O=C(c1cccc(OCC[NH+]2CCCC2)c1)N1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCC[C@@H]21	ZINC000257314366	570142815	/nfs/dbraw/zinc/14/28/15/570142815.db2.gz	UWQRFFBYUSNAGG-DSITVLBTSA-N	1	0	465.569	3.925	40	0		JHABRO
Cc1cc(OCC2(CC(=O)N3CCN(C)CC3)CCN(C(=O)CC(C)C)CC2)ccc1Cl	ZINC000257319430	570144301	/nfs/dbraw/zinc/14/43/01/570144301.db2.gz	VSNDHOMJQPUXSF-UHFFFAOYSA-N	1	0	464.050	3.846	40	0		JHABRO
Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1	ZINC000260892695	570162038	/nfs/dbraw/zinc/16/20/38/570162038.db2.gz	DGQQEMZNIQXRQF-OAQYLSRUSA-N	1	0	457.640	3.760	40	0		JHABRO
C[NH+](C)CCCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C(F)(F)F)n1	ZINC000328993082	570180821	/nfs/dbraw/zinc/18/08/21/570180821.db2.gz	IYKLOHBOYIKGTG-UHFFFAOYSA-N	1	0	457.806	3.998	40	0		JHABRO
COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)c(OC)c1	ZINC000329047060	570182885	/nfs/dbraw/zinc/18/28/85/570182885.db2.gz	UEJGKAULKAKRJG-UHFFFAOYSA-N	1	0	477.487	3.620	40	0		JHABRO
C[NH+](C)CCNc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)n1	ZINC000329065839	570183612	/nfs/dbraw/zinc/18/36/12/570183612.db2.gz	XVHLIXNFWCNNCA-UHFFFAOYSA-N	1	0	493.780	3.963	40	0		JHABRO
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCc1ccccc1	ZINC000006193382	194419892	/nfs/dbraw/zinc/41/98/92/194419892.db2.gz	CDUFPPBBYPFNDT-UHFFFAOYSA-N	1	0	480.634	3.518	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)NCc1ccccc1	ZINC000012710782	195094734	/nfs/dbraw/zinc/09/47/34/195094734.db2.gz	BUSOKCMLRWOALA-UHFFFAOYSA-N	1	0	464.566	3.701	40	0		JHABRO
CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCc1ccccc1	ZINC000006193009	520596746	/nfs/dbraw/zinc/59/67/46/520596746.db2.gz	ZSTLRGGVAATPCD-UHFFFAOYSA-N	1	0	494.661	3.908	40	0		JHABRO
CCCCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000006149733	520690030	/nfs/dbraw/zinc/69/00/30/520690030.db2.gz	PNETWAAKHHQXPI-UHFFFAOYSA-N	1	0	460.644	3.508	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	ZINC000044949262	523167347	/nfs/dbraw/zinc/16/73/47/523167347.db2.gz	FEHKQPBDJMIYQD-LJQANCHMSA-N	1	0	488.069	3.792	40	0		JHABRO
Cc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1	ZINC000044875469	524525995	/nfs/dbraw/zinc/52/59/95/524525995.db2.gz	HHEFCAREKWSOQM-UHFFFAOYSA-N	1	0	457.640	3.844	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1	ZINC000044872230	525066099	/nfs/dbraw/zinc/06/60/99/525066099.db2.gz	IJVQQXXRMTXUKN-UHFFFAOYSA-N	1	0	485.650	3.642	40	0		JHABRO
CSc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(=O)N1CCCC1	ZINC000044872621	526054232	/nfs/dbraw/zinc/05/42/32/526054232.db2.gz	VALJIDBFBPOLGA-UHFFFAOYSA-N	1	0	473.664	3.719	40	0		JHABRO
COc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2cc1OC	ZINC000000896103	553832571	/nfs/dbraw/zinc/83/25/71/553832571.db2.gz	YIPSHIPVKDWMIQ-UHFFFAOYSA-N	1	0	454.596	3.614	40	0		JHABRO
CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1	ZINC000006193147	554517078	/nfs/dbraw/zinc/51/70/78/554517078.db2.gz	LGSFXGHNGCBEFR-UHFFFAOYSA-N	1	0	472.655	3.650	40	0		JHABRO
COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000006287933	554527407	/nfs/dbraw/zinc/52/74/07/554527407.db2.gz	HWDSBVDUHHRENR-UHFFFAOYSA-N	1	0	453.395	3.881	40	0		JHABRO
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCC[NH+](C)C)cc12	ZINC000006321905	554531160	/nfs/dbraw/zinc/53/11/60/554531160.db2.gz	FDWKCLJPKUESJV-UHFFFAOYSA-N	1	0	480.634	3.702	40	0		JHABRO
COc1ccccc1N1C(=O)[C@H]2[C@@H](C)[NH2+][C@@]3(c4ccccc4N(C/C=C\c4ccccc4)C3=O)[C@@H]2C1=O	ZINC000008868119	554761729	/nfs/dbraw/zinc/76/17/29/554761729.db2.gz	MBDBZKCQRBCWCM-HOWXPPTCSA-N	1	0	493.563	3.748	40	0		JHABRO
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000008898264	554788641	/nfs/dbraw/zinc/78/86/41/554788641.db2.gz	UCQMWMPFUDEDIK-UHFFFAOYSA-N	1	0	477.428	3.645	40	0		JHABRO
CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1	ZINC000013499501	555432208	/nfs/dbraw/zinc/43/22/08/555432208.db2.gz	UJCAXTIUWYBLHL-HSZRJFAPSA-N	1	0	480.613	3.981	40	0		JHABRO
CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1	ZINC000013500110	555436907	/nfs/dbraw/zinc/43/69/07/555436907.db2.gz	YBEKBTZDJBSDDE-NRFANRHFSA-N	1	0	466.586	3.672	40	0		JHABRO
CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1	ZINC000013501131	555447784	/nfs/dbraw/zinc/44/77/84/555447784.db2.gz	GETJAZDMEZYLEM-NRFANRHFSA-N	1	0	466.586	3.672	40	0		JHABRO
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1	ZINC000013668580	555557773	/nfs/dbraw/zinc/55/77/73/555557773.db2.gz	WVRDQDYCCWRMMH-UHFFFAOYSA-N	1	0	464.031	3.918	40	0		JHABRO
COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000010111154	555622090	/nfs/dbraw/zinc/62/20/90/555622090.db2.gz	SPEMVMLBWANTAA-UHFFFAOYSA-N	1	0	487.666	3.890	40	0		JHABRO
COc1cccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000010111148	555622190	/nfs/dbraw/zinc/62/21/90/555622190.db2.gz	SBLMCNSZOZTLKR-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000020080226	555629048	/nfs/dbraw/zinc/62/90/48/555629048.db2.gz	SLAISXYDMPKPKA-XMMPIXPASA-N	1	0	493.656	3.708	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000010277582	555671373	/nfs/dbraw/zinc/67/13/73/555671373.db2.gz	VHCBFOFKCNUYOG-UHFFFAOYSA-N	1	0	473.639	3.581	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(Cl)cc2)cc1	ZINC000010277533	555671459	/nfs/dbraw/zinc/67/14/59/555671459.db2.gz	QPTDGJSQODABNE-UHFFFAOYSA-N	1	0	464.031	3.836	40	0		JHABRO
CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000010278538	555671962	/nfs/dbraw/zinc/67/19/62/555671962.db2.gz	DWKCKEOJKICRKQ-UHFFFAOYSA-N	1	0	494.057	3.926	40	0		JHABRO
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2F)cc1	ZINC000010540487	555723948	/nfs/dbraw/zinc/72/39/48/555723948.db2.gz	ZQHPTCWBWBRUPP-UHFFFAOYSA-N	1	0	461.603	3.568	40	0		JHABRO
CCc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccccc1	ZINC000010540355	555723996	/nfs/dbraw/zinc/72/39/96/555723996.db2.gz	NPIXFXZDKUQJPQ-UHFFFAOYSA-N	1	0	457.640	3.683	40	0		JHABRO
O=C(c1ccc(F)cc1)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)CC1	ZINC000015080629	555872320	/nfs/dbraw/zinc/87/23/20/555872320.db2.gz	JGGWLTMDYSGDKK-DEOSSOPVSA-N	1	0	463.553	3.722	40	0		JHABRO
COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)c(OC)c1	ZINC000022929370	555981584	/nfs/dbraw/zinc/98/15/84/555981584.db2.gz	LQLSKDYTQKXCBX-VWLOTQADSA-N	1	0	480.588	3.527	40	0		JHABRO
Clc1ccccc1[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCC2)CC1	ZINC000022929716	555982487	/nfs/dbraw/zinc/98/24/87/555982487.db2.gz	CNIPKNYEZBYVPD-XMMPIXPASA-N	1	0	481.000	3.753	40	0		JHABRO
COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCC3)CC2)c(OC)c1	ZINC000022929937	555982762	/nfs/dbraw/zinc/98/27/62/555982762.db2.gz	YFMPISZPQVUIGY-AREMUKBSSA-N	1	0	476.625	3.583	40	0		JHABRO
O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1	ZINC000026110819	556242933	/nfs/dbraw/zinc/24/29/33/556242933.db2.gz	YYFSJBMFDAIZCF-KRWDZBQOSA-N	1	0	476.470	3.527	40	0		JHABRO
CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1	ZINC000013064088	556261488	/nfs/dbraw/zinc/26/14/88/556261488.db2.gz	NEUXMWIDNOCFFC-UPVQGACJSA-N	1	0	480.613	3.988	40	0		JHABRO
O=C1c2cc(Br)cc(Br)c2OCC1(CN1CCCC1)C[NH+]1CCCC1	ZINC000028630365	556337825	/nfs/dbraw/zinc/33/78/25/556337825.db2.gz	LCUGUZZATMBQCK-UHFFFAOYSA-N	1	0	472.221	3.965	40	0		JHABRO
CCC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(OCC)ccc3[nH]c2=O)CC1	ZINC000019503441	556350403	/nfs/dbraw/zinc/35/04/03/556350403.db2.gz	KMZXNCIZLHFHSS-XMMPIXPASA-N	1	0	479.629	3.536	40	0		JHABRO
COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1Br	ZINC000030503425	556365810	/nfs/dbraw/zinc/36/58/10/556365810.db2.gz	YAQFATQNWUOMGB-UHFFFAOYSA-N	1	0	453.402	3.922	40	0		JHABRO
COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)NCc3ccccc3)n(C)n2)cc1OC	ZINC000008635538	560106996	/nfs/dbraw/zinc/10/69/96/560106996.db2.gz	UYJGARGYVQOGEG-WWNPGLIZSA-N	1	0	489.620	3.782	40	0	biogenic,in-vitro	JHABRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	ZINC000057314147	569596960	/nfs/dbraw/zinc/59/69/60/569596960.db2.gz	RMVYVGNERTZEDH-CQSZACIVSA-N	1	0	466.365	3.938	40	0		JHABRO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035840176	569713825	/nfs/dbraw/zinc/71/38/25/569713825.db2.gz	LFDIDPHFTVIRKW-ZHNFZGJGSA-N	1	0	470.356	3.839	40	0		JHABRO
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O	ZINC000044874406	569839659	/nfs/dbraw/zinc/83/96/59/569839659.db2.gz	FJMUVKNCEVMVJL-SFHVURJKSA-N	1	0	494.057	3.805	40	0		JHABRO
O=C(COc1ccc(I)cc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000105051472	569852546	/nfs/dbraw/zinc/85/25/46/569852546.db2.gz	QYIUZYVZZDXHRP-UHFFFAOYSA-N	1	0	450.320	3.582	40	0		JHABRO
Cc1cc(=O)c(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F	ZINC000106863938	569855842	/nfs/dbraw/zinc/85/58/42/569855842.db2.gz	FSLPRWVLGXBJGR-OAGGEKHMSA-N	1	0	450.505	3.656	40	0		JHABRO
O=C(c1ccccc1)c1cc[n+](C2=NC(=O)S/C2=C\NNC(=S)Nc2ccccc2)cc1	ZINC000139186555	569867318	/nfs/dbraw/zinc/86/73/18/569867318.db2.gz	OJPGGJCDLGVHLJ-CYVLTUHYSA-O	1	0	460.564	3.651	40	0		JHABRO
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000222709301	569889265	/nfs/dbraw/zinc/88/92/65/569889265.db2.gz	OHKANSXIFWFPLM-MOHJPFBDSA-N	1	0	476.602	3.918	40	0		JHABRO
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C	ZINC000222959156	569895469	/nfs/dbraw/zinc/89/54/69/569895469.db2.gz	PLSNJXUPBVRUFD-ZEQRLZLVSA-N	1	0	455.672	3.995	40	0		JHABRO
COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1	ZINC000223250449	569904893	/nfs/dbraw/zinc/90/48/93/569904893.db2.gz	OIRJYISIYOHGGY-DHIUTWEWSA-N	1	0	463.607	3.583	40	0		JHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O	ZINC000223338097	569907973	/nfs/dbraw/zinc/90/79/73/569907973.db2.gz	KAONOTUQKODRJB-LJQANCHMSA-N	1	0	458.068	3.965	40	0		JHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1	ZINC000224395991	569943150	/nfs/dbraw/zinc/94/31/50/569943150.db2.gz	KYKYBUFSFARFHP-QFIPXVFZSA-N	1	0	499.677	3.902	40	0		JHABRO
Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1	ZINC000224511992	569946822	/nfs/dbraw/zinc/94/68/22/569946822.db2.gz	YVIBPFREEWJCCJ-UHFFFAOYSA-N	1	0	457.640	3.762	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	ZINC000224529439	569947342	/nfs/dbraw/zinc/94/73/42/569947342.db2.gz	QSILWNFSJHMURD-DEOSSOPVSA-N	1	0	457.640	3.842	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000224610769	569950595	/nfs/dbraw/zinc/95/05/95/569950595.db2.gz	RCWQUIUCMFHLDK-UHFFFAOYSA-N	1	0	462.015	3.650	40	0		JHABRO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000224612990	569950749	/nfs/dbraw/zinc/95/07/49/569950749.db2.gz	KQNJQVLQBKQCGW-UHFFFAOYSA-N	1	0	455.624	3.695	40	0		JHABRO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000224619330	569951027	/nfs/dbraw/zinc/95/10/27/569951027.db2.gz	NUCCBYTXBOHQIC-QFIPXVFZSA-N	1	0	464.031	3.797	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1	ZINC000224687848	569953596	/nfs/dbraw/zinc/95/35/96/569953596.db2.gz	PWPDFKVXMLVFSD-UHFFFAOYSA-N	1	0	455.624	3.528	40	0		JHABRO
COc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1	ZINC000224692757	569953741	/nfs/dbraw/zinc/95/37/41/569953741.db2.gz	DTOGUZIGTJWVQE-UHFFFAOYSA-N	1	0	473.639	3.544	40	0		JHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000224704064	569954213	/nfs/dbraw/zinc/95/42/13/569954213.db2.gz	XHNYHMBPIJQPFL-UHFFFAOYSA-N	1	0	473.614	3.529	40	0		JHABRO
CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000224783726	569957431	/nfs/dbraw/zinc/95/74/31/569957431.db2.gz	DACKFQWPLLGFKA-XMMPIXPASA-N	1	0	457.640	3.760	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000224792872	569957848	/nfs/dbraw/zinc/95/78/48/569957848.db2.gz	GVGNXMPIKWGWMV-UHFFFAOYSA-N	1	0	455.624	3.528	40	0		JHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	ZINC000224799868	569958114	/nfs/dbraw/zinc/95/81/14/569958114.db2.gz	UTDYPMGCTBRTBA-QHCPKHFHSA-N	1	0	490.069	3.794	40	0		JHABRO
CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000224832889	569959603	/nfs/dbraw/zinc/95/96/03/569959603.db2.gz	YQPKJFPTCZQNMJ-QHCPKHFHSA-N	1	0	461.603	3.673	40	0		JHABRO
Cc1ccccc1N(CCCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O	ZINC000225426081	569996285	/nfs/dbraw/zinc/99/62/85/569996285.db2.gz	JZLKPQMLBGOQPP-UHFFFAOYSA-N	1	0	459.612	3.653	40	0		JHABRO
COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409052859	570110500	/nfs/dbraw/zinc/11/05/00/570110500.db2.gz	ITWZSYBRMAUPAO-LMOLPZMTSA-O	1	0	493.381	3.782	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000409053475	570110772	/nfs/dbraw/zinc/11/07/72/570110772.db2.gz	KDXCMGMKMHSNHS-IZZNHLLZSA-O	1	0	489.571	3.697	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1	ZINC000409058090	570112839	/nfs/dbraw/zinc/11/28/39/570112839.db2.gz	SIGNIVLEKVLOMU-SHWDWQDGSA-O	1	0	460.529	3.974	40	0		JHABRO
O=C(c1ccccc1Cn1ccnc1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2cnccn2)C1	ZINC000257216269	570112964	/nfs/dbraw/zinc/11/29/64/570112964.db2.gz	CTUHTMZWQDYKIA-XMMPIXPASA-N	1	0	466.589	3.538	40	0		JHABRO
C[C@]1(O)CN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1Oc1cccc(Cl)c1	ZINC000257217898	570113470	/nfs/dbraw/zinc/11/34/70/570113470.db2.gz	DBBAMRGQLRCXIW-ZCYQVOJMSA-N	1	0	458.986	3.859	40	0		JHABRO
COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409059895	570113633	/nfs/dbraw/zinc/11/36/33/570113633.db2.gz	PCEUFAMIXAWDTM-WSBKAMHLSA-O	1	0	493.381	3.782	40	0		JHABRO
Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Br)cc2)cc1	ZINC000409060468	570113862	/nfs/dbraw/zinc/11/38/62/570113862.db2.gz	VSCIOIPZIQXJAO-GWLUTCJNSA-O	1	0	481.345	3.913	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000409060798	570114098	/nfs/dbraw/zinc/11/40/98/570114098.db2.gz	YCRFLAFIHSKGKK-SVBPBHIXSA-O	1	0	485.608	3.866	40	0		JHABRO
CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000409061187	570114352	/nfs/dbraw/zinc/11/43/52/570114352.db2.gz	XUGNKZWDDWFHPD-SXOMAYOGSA-O	1	0	485.608	3.866	40	0		JHABRO
Cc1n[nH]cc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	ZINC000257222879	570114900	/nfs/dbraw/zinc/11/49/00/570114900.db2.gz	DUYRWAFMBYNSPF-DEOSSOPVSA-N	1	0	461.006	3.590	40	0		JHABRO
COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1	ZINC000409063689	570115575	/nfs/dbraw/zinc/11/55/75/570115575.db2.gz	AZXYMYHXLMORJS-MYPDDRRYSA-O	1	0	452.893	3.504	40	0		JHABRO
C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)O3)CC1	ZINC000257225605	570115908	/nfs/dbraw/zinc/11/59/08/570115908.db2.gz	FGZCEIHHLBOLEA-SANMLTNESA-N	1	0	451.542	3.708	40	0		JHABRO
COc1ccc(C)cc1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)CC(C)C)C2	ZINC000257235546	570118763	/nfs/dbraw/zinc/11/87/63/570118763.db2.gz	GYGDGUASXVRGSZ-UHFFFAOYSA-N	1	0	479.687	3.885	40	0		JHABRO
COc1cc(C[N@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCO	ZINC000257248333	570122762	/nfs/dbraw/zinc/12/27/62/570122762.db2.gz	JDEHVVDARHFVHT-OAQYLSRUSA-N	1	0	496.629	3.524	40	0		JHABRO
COc1ccccc1N1CCC(O)(CN2[C@@H](Cc3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)CC1	ZINC000257263783	570127516	/nfs/dbraw/zinc/12/75/16/570127516.db2.gz	LRLHKICACQFZSD-CAOCKLPOSA-N	1	0	495.639	3.910	40	0		JHABRO
O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2ccc3cc[nH]c3c2)CCO1)N1CCOCC1	ZINC000257283288	570133583	/nfs/dbraw/zinc/13/35/83/570133583.db2.gz	OXQZKBNKLLDKHF-AREMUKBSSA-N	1	0	483.996	3.720	40	0		JHABRO
COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1	ZINC000257284477	570133936	/nfs/dbraw/zinc/13/39/36/570133936.db2.gz	PCWAACRRHHODGE-SVBPBHIXSA-N	1	0	471.601	3.629	40	0		JHABRO
COc1cccc(OC)c1OCC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1	ZINC000257310520	570141589	/nfs/dbraw/zinc/14/15/89/570141589.db2.gz	UFKDGKDCLBDDEW-DXCFEAHXSA-N	1	0	450.579	3.825	40	0		JHABRO
C[C@]1(O)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)C[C@@H]1Oc1cccc(F)c1	ZINC000257311840	570142034	/nfs/dbraw/zinc/14/20/34/570142034.db2.gz	ULFNQBDVZOLXCP-XCZPVHLTSA-N	1	0	494.563	3.673	40	0		JHABRO
O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1nc2ccc(Cl)cc2s1	ZINC000257326366	570146444	/nfs/dbraw/zinc/14/64/44/570146444.db2.gz	WWYVJZKBPFOXRK-URXFXBBRSA-N	1	0	471.026	3.990	40	0		JHABRO
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2	ZINC000257330031	570147517	/nfs/dbraw/zinc/14/75/17/570147517.db2.gz	XMMJFWGDLSFCPJ-RBJSKKJNSA-N	1	0	471.605	3.625	40	0		JHABRO
Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1Cl	ZINC000260886196	570161533	/nfs/dbraw/zinc/16/15/33/570161533.db2.gz	GRGCNDQXPHFISH-GOSISDBHSA-N	1	0	464.031	3.715	40	0		JHABRO
CCOc1ccc(N([C@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1	ZINC000260899611	570162676	/nfs/dbraw/zinc/16/26/76/570162676.db2.gz	OTTYCSHGNIBHOB-XMMPIXPASA-N	1	0	473.639	3.542	40	0		JHABRO
CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1	ZINC000260899909	570162695	/nfs/dbraw/zinc/16/26/95/570162695.db2.gz	QRVJHMXNBWCPGE-HXUWFJFHSA-N	1	0	473.639	3.542	40	0		JHABRO
Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1Cl	ZINC000260904020	570162988	/nfs/dbraw/zinc/16/29/88/570162988.db2.gz	ZSYJRYAEUUUFDI-GOSISDBHSA-N	1	0	464.031	3.715	40	0		JHABRO
COc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC[NH+](C)C)n2)cc(OC)c1	ZINC000328994382	570180973	/nfs/dbraw/zinc/18/09/73/570180973.db2.gz	JCXVBXQLAPAUPY-UHFFFAOYSA-N	1	0	477.487	3.620	40	0		JHABRO