smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC	ZINC000036305920	518298589	/nfs/dbraw/zinc/29/85/89/518298589.db2.gz	HDUJQGHLDKFUOL-QFIPXVFZSA-N	0	3	463.578	4.111	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C	ZINC000036305464	518310114	/nfs/dbraw/zinc/31/01/14/518310114.db2.gz	IQCDALDILDGNAC-JOCHJYFZSA-N	0	3	463.578	4.109	50	30		JIEAHN
C=CCN(CC=C)C[C@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000009057265	518770154	/nfs/dbraw/zinc/77/01/54/518770154.db2.gz	LRFKJKYEQBIGNZ-VWLOTQADSA-N	0	3	450.604	4.378	50	30		JIEAHN
C=CCN(CC=C)C[C@@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000009057264	518770815	/nfs/dbraw/zinc/77/08/15/518770815.db2.gz	LRFKJKYEQBIGNZ-RUZDIDTESA-N	0	3	450.604	4.378	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000009339616	519011106	/nfs/dbraw/zinc/01/11/06/519011106.db2.gz	OUAGWBJICIZZDA-NPJIAGGLSA-N	0	3	478.589	4.414	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3cccc4ncccc34)CC2)C1=O	ZINC000011967466	519342435	/nfs/dbraw/zinc/34/24/35/519342435.db2.gz	YYPKJWGJUHLGSN-SSEXGKCCSA-N	0	3	480.612	4.394	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009373765	520327221	/nfs/dbraw/zinc/32/72/21/520327221.db2.gz	DIPUURMRBYBEOU-XMMPIXPASA-N	0	3	482.577	4.110	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OC)c1	ZINC000009353595	520648759	/nfs/dbraw/zinc/64/87/59/520648759.db2.gz	ZHODFYPDOVCROE-ZHHPLPSFSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000009244145	520650354	/nfs/dbraw/zinc/65/03/54/520650354.db2.gz	CITXAZMWNCOUSC-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009357649	520650598	/nfs/dbraw/zinc/65/05/98/520650598.db2.gz	VIIBHAJOMLZOAR-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009357649	520650605	/nfs/dbraw/zinc/65/06/05/520650605.db2.gz	VIIBHAJOMLZOAR-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)cc1	ZINC000009244168	520651643	/nfs/dbraw/zinc/65/16/43/520651643.db2.gz	GMJNDEKZUOLEIG-SBXHHDGASA-N	0	3	466.578	4.191	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)cc1	ZINC000009244168	520651649	/nfs/dbraw/zinc/65/16/49/520651649.db2.gz	GMJNDEKZUOLEIG-SBXHHDGASA-N	0	3	466.578	4.191	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccnc1	ZINC000020358325	520656685	/nfs/dbraw/zinc/65/66/85/520656685.db2.gz	QKMYRCDMOGWUTH-QHCPKHFHSA-N	0	3	451.567	4.037	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000009359431	520773111	/nfs/dbraw/zinc/77/31/11/520773111.db2.gz	PFGQYTXXMYQACU-NPJIAGGLSA-N	0	3	496.604	4.199	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000009046386	521233567	/nfs/dbraw/zinc/23/35/67/521233567.db2.gz	IMPZRANNKGWONT-HOGKFDNTSA-N	0	3	472.607	4.309	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009135546	521234436	/nfs/dbraw/zinc/23/44/36/521234436.db2.gz	BJZRWPGFDZNSBL-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000016741274	524055159	/nfs/dbraw/zinc/05/51/59/524055159.db2.gz	FFZKCQFDLOOTGA-DEOSSOPVSA-N	0	3	460.530	4.389	50	30		JIEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009350712	524746768	/nfs/dbraw/zinc/74/67/68/524746768.db2.gz	HOUBGAWFWHFRMS-XMMPIXPASA-N	0	3	466.578	4.260	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009334328	525370122	/nfs/dbraw/zinc/37/01/22/525370122.db2.gz	FSXVBAAISMGKOL-QHCPKHFHSA-N	0	3	481.549	4.078	50	30		JIEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009185063	525979958	/nfs/dbraw/zinc/97/99/58/525979958.db2.gz	ITGRQPRIFMSSLM-NHFXJNLRSA-N	0	3	457.368	4.131	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)s1	ZINC000009176479	526687760	/nfs/dbraw/zinc/68/77/60/526687760.db2.gz	WZTZOPKEVNGHPV-KRWDZBQOSA-N	0	3	478.412	4.052	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000102695949	536566091	/nfs/dbraw/zinc/56/60/91/536566091.db2.gz	GXTADTJWOIRDSQ-ZHHPLPSFSA-N	0	3	450.579	4.284	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000008743795	554646684	/nfs/dbraw/zinc/64/66/84/554646684.db2.gz	LDNXAZDXULEOME-YDJIHCHBSA-N	0	3	463.361	4.375	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@@H]4CCO)[C@H]3C[C@@H]12	ZINC000008790367	554683620	/nfs/dbraw/zinc/68/36/20/554683620.db2.gz	QAVKKTGTMMWWSF-VAQUBHCBSA-N	0	3	469.622	4.300	50	30	biogenic	JIEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000008987844	554850386	/nfs/dbraw/zinc/85/03/86/554850386.db2.gz	XGYJTCIVNOPQES-HSZRJFAPSA-N	0	3	452.551	4.012	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccncc3)cc2)c1	ZINC000013569547	555507981	/nfs/dbraw/zinc/50/79/81/555507981.db2.gz	ZFORVIAWPVMFFV-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019928852	555544756	/nfs/dbraw/zinc/54/47/56/555544756.db2.gz	SYSYGMWSHCJXLX-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020082355	555630863	/nfs/dbraw/zinc/63/08/63/555630863.db2.gz	MZWYYWZKXPQFLL-HXUWFJFHSA-N	0	3	457.914	4.168	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020103287	555635642	/nfs/dbraw/zinc/63/56/42/555635642.db2.gz	GYWZJOKPQDKCTK-DEOSSOPVSA-N	0	3	450.579	4.486	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020103287	555635644	/nfs/dbraw/zinc/63/56/44/555635644.db2.gz	GYWZJOKPQDKCTK-DEOSSOPVSA-N	0	3	450.579	4.486	50	30		JIEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020189494	555690847	/nfs/dbraw/zinc/69/08/47/555690847.db2.gz	KXVJIURKFHRNJF-RUZDIDTESA-N	0	3	496.604	4.329	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000020193132	555694303	/nfs/dbraw/zinc/69/43/03/555694303.db2.gz	KYMNHZQNIGWNCO-QHCPKHFHSA-N	0	3	464.562	4.243	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000020193432	555695000	/nfs/dbraw/zinc/69/50/00/555695000.db2.gz	YMDKCLRDRFVEAJ-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000020193427	555695048	/nfs/dbraw/zinc/69/50/48/555695048.db2.gz	YMDKCLRDRFVEAJ-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccccc3F)oc21	ZINC000020219184	555713322	/nfs/dbraw/zinc/71/33/22/555713322.db2.gz	WXBNGQXQBDSVFI-NRFANRHFSA-N	0	3	452.482	4.111	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020228788	555719398	/nfs/dbraw/zinc/71/93/98/555719398.db2.gz	BBADMMTVKATMTQ-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020233847	555724927	/nfs/dbraw/zinc/72/49/27/555724927.db2.gz	FGJLZFWEUWIMMY-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020266074	555747943	/nfs/dbraw/zinc/74/79/43/555747943.db2.gz	DTWXMQRBWMGLRX-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020267354	555748676	/nfs/dbraw/zinc/74/86/76/555748676.db2.gz	HTRNWUXWJXURCG-BVZFJXPGSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000012757622	556108164	/nfs/dbraw/zinc/10/81/64/556108164.db2.gz	RMHZGYIVIHBPAL-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000012757622	556108170	/nfs/dbraw/zinc/10/81/70/556108170.db2.gz	RMHZGYIVIHBPAL-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1C	ZINC000017137814	556224164	/nfs/dbraw/zinc/22/41/64/556224164.db2.gz	HERVWYZKFOAVBB-QHCPKHFHSA-N	0	3	451.567	4.099	50	30		JIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000008462653	569591778	/nfs/dbraw/zinc/59/17/78/569591778.db2.gz	BJYTXMNBXWIOAF-VWLOTQADSA-N	0	3	487.556	4.446	50	30		JIEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1	ZINC000055414551	569591871	/nfs/dbraw/zinc/59/18/71/569591871.db2.gz	UTDOJRSRMAYYBS-XMMPIXPASA-N	0	3	477.568	4.303	50	30		JIEAHN
N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1	ZINC000055414549	569591880	/nfs/dbraw/zinc/59/18/80/569591880.db2.gz	SHZVXTFSMPGJAZ-QHCPKHFHSA-N	0	3	469.589	4.435	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1	ZINC000061996989	569609665	/nfs/dbraw/zinc/60/96/65/569609665.db2.gz	QCVIXAABXULAPJ-XDORCFIYSA-N	0	3	459.030	4.296	50	30	biogenic	JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1	ZINC000036316172	569762356	/nfs/dbraw/zinc/76/23/56/569762356.db2.gz	HHAFIUYEAZFMDZ-QFIPXVFZSA-N	0	3	481.543	4.380	50	30		JIEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102169764	569810526	/nfs/dbraw/zinc/81/05/26/569810526.db2.gz	ZYDVCATYKIQJEA-NXLSWJSLSA-N	0	3	450.579	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102864903	569825556	/nfs/dbraw/zinc/82/55/56/569825556.db2.gz	KPGDFLDZYDPVOB-SBXHHDGASA-N	0	3	495.576	4.454	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000102934989	569829214	/nfs/dbraw/zinc/82/92/14/569829214.db2.gz	QJQQUDXOKFAWGR-JBCNATCCSA-N	0	3	460.933	4.251	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)c(OC)c4)C[C@@H](C)O)[C@H]3C[C@@H]12	ZINC000169366568	569868248	/nfs/dbraw/zinc/86/82/48/569868248.db2.gz	VTQVYQCKURGPRZ-UJBSZFQGSA-N	0	3	457.611	4.201	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000009123427	124031292	/nfs/dbraw/zinc/03/12/92/124031292.db2.gz	MVNNWCVQRMLHOW-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(O)c3)cc2)c1	ZINC000102711373	130257666	/nfs/dbraw/zinc/25/76/66/130257666.db2.gz	OPYYWZDICROHHR-CJJGVWJISA-N	0	3	486.568	4.263	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1C	ZINC000102873552	130344815	/nfs/dbraw/zinc/34/48/15/130344815.db2.gz	FWSJANXWNAAQSR-AYWGPLOBSA-N	0	3	454.542	4.296	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1	ZINC000102880772	130356993	/nfs/dbraw/zinc/35/69/93/130356993.db2.gz	HHLYYDGNKVSTDK-HOGKFDNTSA-N	0	3	456.970	4.421	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1	ZINC000102880772	130356995	/nfs/dbraw/zinc/35/69/95/130356995.db2.gz	HHLYYDGNKVSTDK-HOGKFDNTSA-N	0	3	456.970	4.421	50	30		JIEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102884897	130366121	/nfs/dbraw/zinc/36/61/21/130366121.db2.gz	UCVSQLWUZUWZIB-NPJIAGGLSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1	ZINC000102886611	130367770	/nfs/dbraw/zinc/36/77/70/130367770.db2.gz	YSXWXNRZOKHQRA-NPJIAGGLSA-N	0	3	478.589	4.345	50	30		JIEAHN
C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1	ZINC000036306287	518297449	/nfs/dbraw/zinc/29/74/49/518297449.db2.gz	BILDBYIZCWFQPQ-QFIPXVFZSA-N	0	3	463.578	4.111	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1	ZINC000036309654	518713683	/nfs/dbraw/zinc/71/36/83/518713683.db2.gz	BHQICWLBKGLYLL-QPPBQGQZSA-N	0	3	472.626	4.431	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009243508	519762042	/nfs/dbraw/zinc/76/20/42/519762042.db2.gz	LJLTZKMTOLPTAE-HSZRJFAPSA-N	0	3	481.549	4.160	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000009240840	520419082	/nfs/dbraw/zinc/41/90/82/520419082.db2.gz	OKXWQCNYWLPBEU-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1	ZINC000009329390	520651728	/nfs/dbraw/zinc/65/17/28/520651728.db2.gz	MBADEOUEXIJRHM-SBXHHDGASA-N	0	3	450.579	4.485	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1	ZINC000009329390	520651736	/nfs/dbraw/zinc/65/17/36/520651736.db2.gz	MBADEOUEXIJRHM-SBXHHDGASA-N	0	3	450.579	4.485	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000009359681	520652009	/nfs/dbraw/zinc/65/20/09/520652009.db2.gz	MARJZXPWJLESAT-ZHHPLPSFSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000009359681	520652014	/nfs/dbraw/zinc/65/20/14/520652014.db2.gz	MARJZXPWJLESAT-ZHHPLPSFSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccncc1	ZINC000009359748	520653834	/nfs/dbraw/zinc/65/38/34/520653834.db2.gz	ZOYMLWRWTYTGLO-CJJGVWJISA-N	0	3	485.584	4.424	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009271909	520654017	/nfs/dbraw/zinc/65/40/17/520654017.db2.gz	GJRMADGOGSFSLB-OSVJCPFSSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1OC	ZINC000020393877	520658216	/nfs/dbraw/zinc/65/82/16/520658216.db2.gz	LIUDSUBMKQJCEA-XMMPIXPASA-N	0	3	496.604	4.411	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000021486995	520876086	/nfs/dbraw/zinc/87/60/86/520876086.db2.gz	OFIHRDWYQVMJSV-VWLOTQADSA-N	0	3	479.621	4.380	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000021486995	520876088	/nfs/dbraw/zinc/87/60/88/520876088.db2.gz	OFIHRDWYQVMJSV-VWLOTQADSA-N	0	3	479.621	4.380	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020548891	521267197	/nfs/dbraw/zinc/26/71/97/521267197.db2.gz	KKAMBXGYVNUUIQ-QHCPKHFHSA-N	0	3	470.541	4.152	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)cc3)oc21	ZINC000009236775	524256517	/nfs/dbraw/zinc/25/65/17/524256517.db2.gz	CCYXZIQPQKYQNP-YDJIHCHBSA-N	0	3	454.910	4.078	50	30		JIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1	ZINC000009042360	526021214	/nfs/dbraw/zinc/02/12/14/526021214.db2.gz	WJYYCEDAGAWNFB-HXUWFJFHSA-N	0	3	457.368	4.288	50	30		JIEAHN
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000008740762	554642895	/nfs/dbraw/zinc/64/28/95/554642895.db2.gz	JGJKETOYFGQWDG-DEOSSOPVSA-N	0	3	482.577	4.026	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)c(OC)c4)C[C@H](C)O)[C@H]3C[C@H]12	ZINC000008790343	554683582	/nfs/dbraw/zinc/68/35/82/554683582.db2.gz	VTQVYQCKURGPRZ-IHDSIFOCSA-N	0	3	457.611	4.201	50	30	biogenic	JIEAHN
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000008791039	554684170	/nfs/dbraw/zinc/68/41/70/554684170.db2.gz	ZUVFLFLCXSNTLA-FJURLZJLSA-N	0	3	460.014	4.150	50	30	biogenic	JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000008818167	554701725	/nfs/dbraw/zinc/70/17/25/554701725.db2.gz	DIRMDVKPHVAXKS-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cc(OC)ccc1OC	ZINC000008836912	554737347	/nfs/dbraw/zinc/73/73/47/554737347.db2.gz	NGHHEXAUKXHUHQ-NXLSWJSLSA-N	0	3	478.545	4.214	50	30		JIEAHN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C	ZINC000008918876	554815822	/nfs/dbraw/zinc/81/58/22/554815822.db2.gz	LNHSETNDKPFZIU-QHCPKHFHSA-N	0	3	454.542	4.309	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000013427534	555400584	/nfs/dbraw/zinc/40/05/84/555400584.db2.gz	AWEHYQAQGNDBBJ-XMMPIXPASA-N	0	3	482.577	4.028	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000013427534	555400587	/nfs/dbraw/zinc/40/05/87/555400587.db2.gz	AWEHYQAQGNDBBJ-XMMPIXPASA-N	0	3	482.577	4.028	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1	ZINC000019884254	555528456	/nfs/dbraw/zinc/52/84/56/555528456.db2.gz	CKLMDBBLBBJYJB-LJQANCHMSA-N	0	3	461.331	4.118	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000019928792	555544826	/nfs/dbraw/zinc/54/48/26/555544826.db2.gz	WSJNCELKNHSFLP-RUZDIDTESA-N	0	3	494.588	4.107	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000013711944	555589475	/nfs/dbraw/zinc/58/94/75/555589475.db2.gz	GKFRJUVGQCNGOO-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Br)cc1	ZINC000020150186	555666394	/nfs/dbraw/zinc/66/63/94/555666394.db2.gz	UVPLNGFZTMLTFR-FQEVSTJZSA-N	0	3	469.335	4.335	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000020228730	555719011	/nfs/dbraw/zinc/71/90/11/555719011.db2.gz	SJURGTFKUAQVRQ-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000020228730	555719012	/nfs/dbraw/zinc/71/90/12/555719012.db2.gz	SJURGTFKUAQVRQ-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020228909	555719499	/nfs/dbraw/zinc/71/94/99/555719499.db2.gz	XGCZYZZRVAMNJF-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020231566	555721308	/nfs/dbraw/zinc/72/13/08/555721308.db2.gz	GSXSBBYDDXTOQP-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020308026	555763801	/nfs/dbraw/zinc/76/38/01/555763801.db2.gz	YJUNFEUSIBEDEV-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020308026	555763803	/nfs/dbraw/zinc/76/38/03/555763803.db2.gz	YJUNFEUSIBEDEV-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1	ZINC000017138339	556224483	/nfs/dbraw/zinc/22/44/83/556224483.db2.gz	LYVKLQHOKAEWGG-RUZDIDTESA-N	0	3	471.557	4.109	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccncc1	ZINC000013127428	556343572	/nfs/dbraw/zinc/34/35/72/556343572.db2.gz	UCQOUEUTXQZIDM-QHCPKHFHSA-N	0	3	451.567	4.037	50	30		JIEAHN
C[C@H]1CCCN(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	ZINC000032927228	556544643	/nfs/dbraw/zinc/54/46/43/556544643.db2.gz	WKJRIOSJXHPRNS-SFHVURJKSA-N	0	3	456.656	4.188	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]31)CC2	ZINC000008681868	569592958	/nfs/dbraw/zinc/59/29/58/569592958.db2.gz	ZFZHYNHHVLSRHQ-RLYLMJPFSA-N	0	3	455.595	4.148	50	30	biogenic	JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)C)cc1	ZINC000102864958	569825664	/nfs/dbraw/zinc/82/56/64/569825664.db2.gz	BHVWUBRAQPZFFA-UVDRRRQGSA-N	0	3	460.578	4.140	50	30		JIEAHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000110549820	569860855	/nfs/dbraw/zinc/86/08/55/569860855.db2.gz	CDFAQIZRLYQCEQ-WHWRDJHUSA-N	0	3	476.339	4.324	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)CC1CC1	ZINC000230111382	570045035	/nfs/dbraw/zinc/04/50/35/570045035.db2.gz	SESUEAZCWRMOHQ-JTHBVZDNSA-N	0	3	484.662	4.301	50	30		JIEAHN
Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@H]1c1ccco1	ZINC000245238054	570057370	/nfs/dbraw/zinc/05/73/70/570057370.db2.gz	DVZRMSGKLFQKGV-VSKRKVRLSA-N	0	3	459.527	4.451	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]13)CC2	ZINC000012871497	195163748	/nfs/dbraw/zinc/16/37/48/195163748.db2.gz	UCSAOIGRLWQSRE-JPNDKLRNSA-N	0	3	455.595	4.150	50	30	biogenic	JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000102545958	130200742	/nfs/dbraw/zinc/20/07/42/130200742.db2.gz	JXKSVOQRHQGGTO-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102555930	130205865	/nfs/dbraw/zinc/20/58/65/130205865.db2.gz	FLJARTPBZVJHPY-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccnc1	ZINC000102881290	130358200	/nfs/dbraw/zinc/35/82/00/130358200.db2.gz	PAWGHLCTHHOFNB-SBXHHDGASA-N	0	3	465.594	4.188	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccncc1	ZINC000102883926	130364413	/nfs/dbraw/zinc/36/44/13/130364413.db2.gz	HOQCPQYXLVLBDF-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102884894	130366102	/nfs/dbraw/zinc/36/61/02/130366102.db2.gz	UCVSQLWUZUWZIB-IUKMQXEJSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1	ZINC000102891715	130373486	/nfs/dbraw/zinc/37/34/86/130373486.db2.gz	IPPDUPPLESCCDC-NXLSWJSLSA-N	0	3	466.578	4.335	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1	ZINC000102891715	130373491	/nfs/dbraw/zinc/37/34/91/130373491.db2.gz	IPPDUPPLESCCDC-NXLSWJSLSA-N	0	3	466.578	4.335	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccncc1	ZINC000102892188	130374488	/nfs/dbraw/zinc/37/44/88/130374488.db2.gz	NWGPVAFCDDECDN-IUKMQXEJSA-N	0	3	471.557	4.034	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1	ZINC000036306609	518301313	/nfs/dbraw/zinc/30/13/13/518301313.db2.gz	HFUVXWNRKRCKQN-DEOSSOPVSA-N	0	3	459.590	4.411	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C	ZINC000036302411	518311331	/nfs/dbraw/zinc/31/13/31/518311331.db2.gz	PRWDORRASRTROA-XMMPIXPASA-N	0	3	477.605	4.450	50	30		JIEAHN
C=CCn1c(SCC(=O)NC2CCN(CC)CC2)nc2scc(-c3ccccc3)c2c1=O	ZINC000011297088	519205580	/nfs/dbraw/zinc/20/55/80/519205580.db2.gz	BJDFSUHYGTWIHL-UHFFFAOYSA-N	0	3	468.648	4.004	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(CC)cc3)CC2)C1=O	ZINC000011787630	519339693	/nfs/dbraw/zinc/33/96/93/519339693.db2.gz	PFOOUDGZGYIJBM-NDEPHWFRSA-N	0	3	461.581	4.157	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3ccc(OC)c(C)c3C)CC2)C1=O	ZINC000012154423	519342101	/nfs/dbraw/zinc/34/21/01/519342101.db2.gz	DNMBJOHUPGZJKY-SSEXGKCCSA-N	0	3	487.644	4.471	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016730925	520431942	/nfs/dbraw/zinc/43/19/42/520431942.db2.gz	ZARUTSCACQLALQ-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OC)c1	ZINC000009334402	520649482	/nfs/dbraw/zinc/64/94/82/520649482.db2.gz	ZHODFYPDOVCROE-AYWGPLOBSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1	ZINC000009373753	520650145	/nfs/dbraw/zinc/65/01/45/520650145.db2.gz	MBADEOUEXIJRHM-NXLSWJSLSA-N	0	3	450.579	4.485	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1	ZINC000009373753	520650150	/nfs/dbraw/zinc/65/01/50/520650150.db2.gz	MBADEOUEXIJRHM-NXLSWJSLSA-N	0	3	450.579	4.485	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccs1	ZINC000020219854	520658147	/nfs/dbraw/zinc/65/81/47/520658147.db2.gz	SMLGQIHPINVCOH-HXUWFJFHSA-N	0	3	454.548	4.423	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009359052	520860203	/nfs/dbraw/zinc/86/02/03/520860203.db2.gz	XYXDBKSWQLUMSV-RUZDIDTESA-N	0	3	496.604	4.500	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000009045531	520874172	/nfs/dbraw/zinc/87/41/72/520874172.db2.gz	FUAQPVRLCITSLF-OAQYLSRUSA-N	0	3	487.940	4.177	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000009067329	523370910	/nfs/dbraw/zinc/37/09/10/523370910.db2.gz	AEBRIUMDZVLXHQ-NHFXJNLRSA-N	0	3	463.361	4.375	50	30		JIEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000009244240	524171257	/nfs/dbraw/zinc/17/12/57/524171257.db2.gz	KKFSRADIVIFKJF-QHCPKHFHSA-N	0	3	482.577	4.021	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009333959	525366891	/nfs/dbraw/zinc/36/68/91/525366891.db2.gz	YPYXUTXTUCUIAI-DEOSSOPVSA-N	0	3	495.576	4.468	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000102490351	536562209	/nfs/dbraw/zinc/56/22/09/536562209.db2.gz	APLKXRAPUUXSKX-JBCNATCCSA-N	0	3	487.394	4.140	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000008816832	554699076	/nfs/dbraw/zinc/69/90/76/554699076.db2.gz	IOZKCKUQQJVVSF-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)s1	ZINC000008921716	554818626	/nfs/dbraw/zinc/81/86/26/554818626.db2.gz	YPLLXSOPOYWPGJ-QGZVFWFLSA-N	0	3	478.412	4.052	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccncc1	ZINC000009008145	554862433	/nfs/dbraw/zinc/86/24/33/554862433.db2.gz	ACFOSRQNIMCUER-NXLSWJSLSA-N	0	3	465.594	4.188	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000019885262	555528489	/nfs/dbraw/zinc/52/84/89/555528489.db2.gz	GUWBIRFVMMTVQW-XMMPIXPASA-N	0	3	493.560	4.388	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000020029297	555604476	/nfs/dbraw/zinc/60/44/76/555604476.db2.gz	QPVJKINZFFKWAX-XMMPIXPASA-N	0	3	480.561	4.123	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000020029297	555604479	/nfs/dbraw/zinc/60/44/79/555604479.db2.gz	QPVJKINZFFKWAX-XMMPIXPASA-N	0	3	480.561	4.123	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1OC	ZINC000020219849	555716147	/nfs/dbraw/zinc/71/61/47/555716147.db2.gz	ORTAJOREAAMYKF-QHCPKHFHSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020263366	555745304	/nfs/dbraw/zinc/74/53/04/555745304.db2.gz	SVAVHQQANHLIOX-OAQYLSRUSA-N	0	3	458.580	4.076	50	30		JIEAHN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020265676	555747676	/nfs/dbraw/zinc/74/76/76/555747676.db2.gz	XGYXYCAQNDFOJM-VWLOTQADSA-N	0	3	494.588	4.167	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)c(C)c1	ZINC000024080766	556118957	/nfs/dbraw/zinc/11/89/57/556118957.db2.gz	OTLXMWSJBWFVEM-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000024081330	556120387	/nfs/dbraw/zinc/12/03/87/556120387.db2.gz	UGHBXQJESUAXCJ-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000024081330	556120389	/nfs/dbraw/zinc/12/03/89/556120389.db2.gz	UGHBXQJESUAXCJ-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000017196736	556238525	/nfs/dbraw/zinc/23/85/25/556238525.db2.gz	ZHNSOBDBPLMMJG-NYHFZMIOSA-N	0	3	454.954	4.193	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1cccs1	ZINC000013124734	556340480	/nfs/dbraw/zinc/34/04/80/556340480.db2.gz	FFUZESPAEAVFDC-QFIPXVFZSA-N	0	3	464.591	4.162	50	30		JIEAHN
CCN1CCN(C2(CNc3oc(-c4ccc(Br)o4)nc3C#N)CCCCC2)CC1	ZINC000032593617	556447976	/nfs/dbraw/zinc/44/79/76/556447976.db2.gz	REEJQCOKJZEAQJ-UHFFFAOYSA-N	0	3	462.392	4.321	50	30		JIEAHN
C[C@@H]1CCCN(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	ZINC000032927225	556544638	/nfs/dbraw/zinc/54/46/38/556544638.db2.gz	WKJRIOSJXHPRNS-GOSISDBHSA-N	0	3	456.656	4.188	50	30		JIEAHN
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000061997536	569609858	/nfs/dbraw/zinc/60/98/58/569609858.db2.gz	FQIIHRRVNVYASB-IRXCLELFSA-N	0	3	478.555	4.354	50	30	biogenic	JIEAHN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102856881	569824637	/nfs/dbraw/zinc/82/46/37/569824637.db2.gz	FHXCECOEYSRUIB-IXBTYZTBSA-N	0	3	454.954	4.037	50	30		JIEAHN
C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000245281351	570062325	/nfs/dbraw/zinc/06/23/25/570062325.db2.gz	XLKUXNFBRRZDCC-RBBKRZOGSA-N	0	3	472.651	4.301	50	30		JIEAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@H]3C2=O)cc1	ZINC000245311338	570063595	/nfs/dbraw/zinc/06/35/95/570063595.db2.gz	NTZYRNMWDDLBAP-UBFVSLLYSA-N	0	3	453.498	4.398	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009185001	124042911	/nfs/dbraw/zinc/04/29/11/124042911.db2.gz	AMHFRWHIWYLKCF-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009185001	124042916	/nfs/dbraw/zinc/04/29/16/124042916.db2.gz	AMHFRWHIWYLKCF-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OCC	ZINC000009271435	124074017	/nfs/dbraw/zinc/07/40/17/124074017.db2.gz	MDKIJWAGTOALPN-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC	ZINC000003655677	194352662	/nfs/dbraw/zinc/35/26/62/194352662.db2.gz	KDXZBHUGDGMADJ-RUZDIDTESA-N	0	3	476.573	4.480	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102542534	130198578	/nfs/dbraw/zinc/19/85/78/130198578.db2.gz	PIWHUXFQWJXZQN-SBXHHDGASA-N	0	3	495.576	4.456	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102603935	130221599	/nfs/dbraw/zinc/22/15/99/130221599.db2.gz	UERGUMXEULTFLZ-NXLSWJSLSA-N	0	3	450.579	4.410	50	30		JIEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102715134	130261210	/nfs/dbraw/zinc/26/12/10/130261210.db2.gz	KVJBARBUOVONAS-NXLSWJSLSA-N	0	3	450.579	4.464	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Cl)c1	ZINC000102858016	130327743	/nfs/dbraw/zinc/32/77/43/130327743.db2.gz	LYNTXHIZRDKROV-FIMCBBJJSA-N	0	3	468.981	4.427	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Cl)c1	ZINC000102858016	130327745	/nfs/dbraw/zinc/32/77/45/130327745.db2.gz	LYNTXHIZRDKROV-FIMCBBJJSA-N	0	3	468.981	4.427	50	30		JIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC([C@@]3(Cc4cccc(OC)c4)NC(=O)N(CCOC)C3=O)CC2)CC1	ZINC000012190087	518642962	/nfs/dbraw/zinc/64/29/62/518642962.db2.gz	USNGAUHBMCZJBM-FUFSCUOVSA-N	0	3	495.664	4.189	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009236452	520418840	/nfs/dbraw/zinc/41/88/40/520418840.db2.gz	HOEXWACPUDOSNI-HOGKFDNTSA-N	0	3	472.607	4.309	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009373741	520468313	/nfs/dbraw/zinc/46/83/13/520468313.db2.gz	DSAPKKICXXJGFW-YJBPAFNHSA-N	0	3	478.589	4.172	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1OC	ZINC000009046432	520648202	/nfs/dbraw/zinc/64/82/02/520648202.db2.gz	OIYQIDHYKRSKJL-JBCNATCCSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1OC	ZINC000009244066	520650627	/nfs/dbraw/zinc/65/06/27/520650627.db2.gz	HUTKTWOUNRUKDA-IUKMQXEJSA-N	0	3	480.605	4.494	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1OC	ZINC000009244065	520651477	/nfs/dbraw/zinc/65/14/77/520651477.db2.gz	HUTKTWOUNRUKDA-NPJIAGGLSA-N	0	3	480.605	4.494	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccncc1	ZINC000009178560	520652481	/nfs/dbraw/zinc/65/24/81/520652481.db2.gz	AVRLNLHGPZSHPU-NXLSWJSLSA-N	0	3	465.594	4.188	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(Br)c1	ZINC000009045770	520653766	/nfs/dbraw/zinc/65/37/66/520653766.db2.gz	YYCCKVYEOWXJMQ-SELCWUDQSA-N	0	3	492.439	4.286	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000020461399	521578829	/nfs/dbraw/zinc/57/88/29/521578829.db2.gz	XVFXAFOTXYSLDF-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1	ZINC000009460763	524054004	/nfs/dbraw/zinc/05/40/04/524054004.db2.gz	MEVYPRBPGQJTIK-CJJGVWJISA-N	0	3	486.568	4.345	50	30		JIEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000009328872	524172170	/nfs/dbraw/zinc/17/21/70/524172170.db2.gz	RCAGSXQBLNNWBW-DEOSSOPVSA-N	0	3	496.604	4.269	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009359463	525220482	/nfs/dbraw/zinc/22/04/82/525220482.db2.gz	FVIRYWSXOUXQJH-RUZDIDTESA-N	0	3	496.604	4.269	50	30		JIEAHN
O=C(c1ccc(OC(F)F)cc1)C(C(=S)[N-]Cc1ccc2c(c1)OCO2)[n+]1ccccc1	ZINC000003295793	527590113	/nfs/dbraw/zinc/59/01/13/527590113.db2.gz	KQOAVJHUHWSRHU-UHFFFAOYSA-O	0	3	457.478	4.033	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000008739850	554641588	/nfs/dbraw/zinc/64/15/88/554641588.db2.gz	OLYPSRJHKYROHV-IUKMQXEJSA-N	0	3	496.604	4.260	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000008739850	554641589	/nfs/dbraw/zinc/64/15/89/554641589.db2.gz	OLYPSRJHKYROHV-IUKMQXEJSA-N	0	3	496.604	4.260	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008837758	554738850	/nfs/dbraw/zinc/73/88/50/554738850.db2.gz	QQSPHTSHFSPCPG-YDJIHCHBSA-N	0	3	457.914	4.012	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008905318	554799692	/nfs/dbraw/zinc/79/96/92/554799692.db2.gz	DBHBCZWKHWORFH-HSZRJFAPSA-N	0	3	450.579	4.441	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000008920527	554817379	/nfs/dbraw/zinc/81/73/79/554817379.db2.gz	GKALXQROQLYOSD-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000008920527	554817382	/nfs/dbraw/zinc/81/73/82/554817382.db2.gz	GKALXQROQLYOSD-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1	ZINC000013563988	555498861	/nfs/dbraw/zinc/49/88/61/555498861.db2.gz	AAESPYJTTTXUOH-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1	ZINC000013563988	555498863	/nfs/dbraw/zinc/49/88/63/555498863.db2.gz	AAESPYJTTTXUOH-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)ccc1OC(C)C	ZINC000019972619	555574260	/nfs/dbraw/zinc/57/42/60/555574260.db2.gz	CJPWRTRRNCLPFG-HSZRJFAPSA-N	0	3	452.551	4.018	50	30		JIEAHN
COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1OC	ZINC000020000465	555577418	/nfs/dbraw/zinc/57/74/18/555577418.db2.gz	XGEONKMITIKAFN-UHFFFAOYSA-N	0	3	480.615	4.418	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cc(OC)ccc1OC	ZINC000013711946	555589391	/nfs/dbraw/zinc/58/93/91/555589391.db2.gz	GKFRJUVGQCNGOO-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1	ZINC000020029564	555604898	/nfs/dbraw/zinc/60/48/98/555604898.db2.gz	LGGMAADGYYNWDD-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1	ZINC000020029564	555604899	/nfs/dbraw/zinc/60/48/99/555604899.db2.gz	LGGMAADGYYNWDD-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219323	555713828	/nfs/dbraw/zinc/71/38/28/555713828.db2.gz	NETVDYFOBYVRNJ-XMMPIXPASA-N	0	3	464.562	4.111	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)cc3)oc21	ZINC000020219883	555716573	/nfs/dbraw/zinc/71/65/73/555716573.db2.gz	KMTRIWRIUHROAS-HXUWFJFHSA-N	0	3	454.910	4.235	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1F	ZINC000016729453	556154916	/nfs/dbraw/zinc/15/49/16/556154916.db2.gz	UUWCNHVGEPXQKK-HXUWFJFHSA-N	0	3	491.357	4.127	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1	ZINC000019792655	556371570	/nfs/dbraw/zinc/37/15/70/556371570.db2.gz	ULOUXXLAJRDGIQ-HXUWFJFHSA-N	0	3	457.914	4.168	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000019793001	556371835	/nfs/dbraw/zinc/37/18/35/556371835.db2.gz	AAESPYJTTTXUOH-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000019793001	556371839	/nfs/dbraw/zinc/37/18/39/556371839.db2.gz	AAESPYJTTTXUOH-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102865349	569825634	/nfs/dbraw/zinc/82/56/34/569825634.db2.gz	ARUYIKKIYHHZKI-FYPOKDMHSA-N	0	3	478.589	4.172	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102525227	130177495	/nfs/dbraw/zinc/17/74/95/130177495.db2.gz	SEXQBEAHGNQDRA-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000102728862	130272999	/nfs/dbraw/zinc/27/29/99/130272999.db2.gz	YVLIIUIRMJQLGM-NPJIAGGLSA-N	0	3	496.604	4.174	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1	ZINC000102858415	130328850	/nfs/dbraw/zinc/32/88/50/130328850.db2.gz	YNUISYBVTIBNIU-CJJGVWJISA-N	0	3	486.568	4.263	50	30		JIEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000102867480	130340663	/nfs/dbraw/zinc/34/06/63/130340663.db2.gz	UIEVBOLIDGOYJT-SBXHHDGASA-N	0	3	466.578	4.103	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102872538	130344225	/nfs/dbraw/zinc/34/42/25/130344225.db2.gz	CTBSUBRAQRJWGK-AYWGPLOBSA-N	0	3	454.542	4.378	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000102879420	130353933	/nfs/dbraw/zinc/35/39/33/130353933.db2.gz	WTRYWPJFRXNVBO-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3cc(CN4CCCCC4)cs3)CC2)C1=O	ZINC000012211982	518602520	/nfs/dbraw/zinc/60/25/20/518602520.db2.gz	NUEGIRZSFDVNPW-VWLOTQADSA-N	0	3	458.672	4.223	50	30		JIEAHN
C=C(Cl)COc1nc2cc(OC)c(OC)cc2cc1CNC1CCN(C(=O)OCC)CC1	ZINC000015071411	518650346	/nfs/dbraw/zinc/65/03/46/518650346.db2.gz	XBTSHOIHUKXRSJ-UHFFFAOYSA-N	0	3	463.962	4.094	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009334048	519047010	/nfs/dbraw/zinc/04/70/10/519047010.db2.gz	LIKMZXAYDWRRFZ-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000009241704	519060079	/nfs/dbraw/zinc/06/00/79/519060079.db2.gz	DMLMMSJHAKTADV-XMMPIXPASA-N	0	3	464.562	4.179	50	30		JIEAHN
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3cn(C)c4ccccc34)CC2)C1=O	ZINC000012098711	519343235	/nfs/dbraw/zinc/34/32/35/519343235.db2.gz	AHPRGAGZDWTJBE-GDLZYMKVSA-N	0	3	486.591	4.086	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009412556	519761887	/nfs/dbraw/zinc/76/18/87/519761887.db2.gz	OPHZTNCRQDEMQP-QHCPKHFHSA-N	0	3	481.549	4.160	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009373763	520327189	/nfs/dbraw/zinc/32/71/89/520327189.db2.gz	DIPUURMRBYBEOU-DEOSSOPVSA-N	0	3	482.577	4.110	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009065606	520419403	/nfs/dbraw/zinc/41/94/03/520419403.db2.gz	UIVTYJYYLDQTDV-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016741551	520432315	/nfs/dbraw/zinc/43/23/15/520432315.db2.gz	OFZZMLXHDWZLLP-VWLOTQADSA-N	0	3	494.588	4.167	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000016741551	520432324	/nfs/dbraw/zinc/43/23/24/520432324.db2.gz	OFZZMLXHDWZLLP-VWLOTQADSA-N	0	3	494.588	4.167	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1	ZINC000008838321	520650982	/nfs/dbraw/zinc/65/09/82/520650982.db2.gz	GQBYANPPXGKYSB-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1	ZINC000008838321	520650986	/nfs/dbraw/zinc/65/09/86/520650986.db2.gz	GQBYANPPXGKYSB-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000020393312	520656338	/nfs/dbraw/zinc/65/63/38/520656338.db2.gz	RACCVRLPOKXESP-DEOSSOPVSA-N	0	3	482.577	4.108	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000020393312	520656349	/nfs/dbraw/zinc/65/63/49/520656349.db2.gz	RACCVRLPOKXESP-DEOSSOPVSA-N	0	3	482.577	4.108	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1	ZINC000019808963	520657558	/nfs/dbraw/zinc/65/75/58/520657558.db2.gz	MWEQVZSDRYCKLC-FQEVSTJZSA-N	0	3	457.368	4.369	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000009271255	520859816	/nfs/dbraw/zinc/85/98/16/520859816.db2.gz	BGIXCHWUDRYJOC-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020393421	520908957	/nfs/dbraw/zinc/90/89/57/520908957.db2.gz	FIWFUTNOMGKOPP-BVZFJXPGSA-N	0	3	478.589	4.329	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1	ZINC000020444051	521755258	/nfs/dbraw/zinc/75/52/58/521755258.db2.gz	ZUABYPJUEGZFPQ-VWLOTQADSA-N	0	3	472.541	4.111	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009045062	524033424	/nfs/dbraw/zinc/03/34/24/524033424.db2.gz	AKMNZTXWKAHMGY-SBXHHDGASA-N	0	3	450.579	4.330	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009045062	524033426	/nfs/dbraw/zinc/03/34/26/524033426.db2.gz	AKMNZTXWKAHMGY-SBXHHDGASA-N	0	3	450.579	4.330	50	30		JIEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009411403	524747025	/nfs/dbraw/zinc/74/70/25/524747025.db2.gz	KOYHEHSZJYEURH-HSZRJFAPSA-N	0	3	452.551	4.012	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009359461	525388980	/nfs/dbraw/zinc/38/89/80/525388980.db2.gz	FVIRYWSXOUXQJH-VWLOTQADSA-N	0	3	496.604	4.269	50	30		JIEAHN
Cc1ccc(OS(=O)(=O)c2ccc(C)c(Cl)c2)c(/C=N/N=C2/NC(=O)C(C(C)C)S2)c1	ZINC000008400517	554575787	/nfs/dbraw/zinc/57/57/87/554575787.db2.gz	OOFNSHMSEADANG-YRJNPLERSA-N	0	3	480.011	4.302	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C	ZINC000008743778	554646662	/nfs/dbraw/zinc/64/66/62/554646662.db2.gz	AMXHLMGMRUMASI-HSZRJFAPSA-N	0	3	454.542	4.451	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008837340	554738121	/nfs/dbraw/zinc/73/81/21/554738121.db2.gz	HYVJMHLAXFVRMC-MOBKVPTQSA-N	0	3	493.516	4.113	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1CCN(CC)CC	ZINC000020057929	555621624	/nfs/dbraw/zinc/62/16/24/555621624.db2.gz	LQNQLACNIRCPDP-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000020100988	555633794	/nfs/dbraw/zinc/63/37/94/555633794.db2.gz	LVZFJBKENBAQAC-VWLOTQADSA-N	0	3	496.604	4.274	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020150094	555666320	/nfs/dbraw/zinc/66/63/20/555666320.db2.gz	SSZAGRFWSZTZSV-RUZDIDTESA-N	0	3	488.588	4.109	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(F)c3)oc21	ZINC000020219188	555713472	/nfs/dbraw/zinc/71/34/72/555713472.db2.gz	VLXZQMROSFDQEG-NRFANRHFSA-N	0	3	452.482	4.111	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC=C)cc2)cc1	ZINC000020233999	555725241	/nfs/dbraw/zinc/72/52/41/555725241.db2.gz	DWANYOQDEHZIMU-VWLOTQADSA-N	0	3	476.573	4.346	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020262793	555745079	/nfs/dbraw/zinc/74/50/79/555745079.db2.gz	YOPBXIBIKZSZRK-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020263541	555745841	/nfs/dbraw/zinc/74/58/41/555745841.db2.gz	ADJOHTDXYLXTAA-OAQYLSRUSA-N	0	3	458.580	4.076	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020263904	555746186	/nfs/dbraw/zinc/74/61/86/555746186.db2.gz	UHTCMABPHIAULW-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020266070	555748010	/nfs/dbraw/zinc/74/80/10/555748010.db2.gz	DTWXMQRBWMGLRX-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000016805650	556161698	/nfs/dbraw/zinc/16/16/98/556161698.db2.gz	OPDCWMANXOSYFL-RUZDIDTESA-N	0	3	494.588	4.107	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000013080558	556278448	/nfs/dbraw/zinc/27/84/48/556278448.db2.gz	SBLFZSKPQIBACC-VWLOTQADSA-N	0	3	479.621	4.380	50	30		JIEAHN
N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCC(CN3CCCC3)CC2)c1	ZINC000071775316	569698139	/nfs/dbraw/zinc/69/81/39/569698139.db2.gz	JNSVEQKIRHULGR-UHFFFAOYSA-N	0	3	478.593	4.391	50	30		JIEAHN
C=CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C	ZINC000036313077	569760639	/nfs/dbraw/zinc/76/06/39/569760639.db2.gz	JIOSROFBRKDSSN-GMAHTHKFSA-N	0	3	457.615	4.122	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102169050	569810440	/nfs/dbraw/zinc/81/04/40/569810440.db2.gz	ZBAFHWMRMFMXSQ-SBXHHDGASA-N	0	3	495.576	4.311	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C	ZINC000102175512	569810654	/nfs/dbraw/zinc/81/06/54/569810654.db2.gz	SUZPVNMPPWKSSN-SBXHHDGASA-N	0	3	450.579	4.403	50	30		JIEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2C)=C(O)C(=O)N1CCCN(C)C	ZINC000102929518	569827740	/nfs/dbraw/zinc/82/77/40/569827740.db2.gz	MKGIXFJEDCAUIE-IUKMQXEJSA-N	0	3	480.605	4.412	50	30		JIEAHN
C#CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C	ZINC000207124530	569874768	/nfs/dbraw/zinc/87/47/68/569874768.db2.gz	XZAHPCGWUZFHBI-AATRIKPKSA-N	0	3	453.905	4.234	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1	ZINC000245325607	570064245	/nfs/dbraw/zinc/06/42/45/570064245.db2.gz	BHQICWLBKGLYLL-ZJSXRUAMSA-N	0	3	472.626	4.431	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009042628	124009913	/nfs/dbraw/zinc/00/99/13/124009913.db2.gz	SUTQBAHWJUJGRC-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009042628	124009916	/nfs/dbraw/zinc/00/99/16/124009916.db2.gz	SUTQBAHWJUJGRC-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
N#Cc1c(NC(=O)CCN2CCC(C(=O)Nc3ccccc3O)CC2)sc2c1CCCCC2	ZINC000009883772	195012434	/nfs/dbraw/zinc/01/24/34/195012434.db2.gz	LAYWADAYMWSBSD-UHFFFAOYSA-N	0	3	466.607	4.274	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OC(C)C	ZINC000102706795	130252885	/nfs/dbraw/zinc/25/28/85/130252885.db2.gz	SAFCCBMWHWWPSG-AYWGPLOBSA-N	0	3	454.542	4.295	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccnc3)cc2)c1	ZINC000102708251	130254937	/nfs/dbraw/zinc/25/49/37/130254937.db2.gz	DMVCWFMSVYSQQQ-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccncc3)cc2)c1	ZINC000102725512	130269819	/nfs/dbraw/zinc/26/98/19/130269819.db2.gz	IDBLKWCCOFEDLY-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036307217	518297020	/nfs/dbraw/zinc/29/70/20/518297020.db2.gz	HVIXWZKPRJYROC-QFIPXVFZSA-N	0	3	451.542	4.241	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C	ZINC000036305977	518301225	/nfs/dbraw/zinc/30/12/25/518301225.db2.gz	JBXFGUVFQFCCRF-QHCPKHFHSA-N	0	3	477.605	4.357	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C	ZINC000036306684	518310894	/nfs/dbraw/zinc/31/08/94/518310894.db2.gz	OYFUOCKYUOQLCQ-JOCHJYFZSA-N	0	3	465.569	4.487	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009244251	519761909	/nfs/dbraw/zinc/76/19/09/519761909.db2.gz	AGBMICWNLTUWJZ-HSZRJFAPSA-N	0	3	454.542	4.391	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009243498	519761974	/nfs/dbraw/zinc/76/19/74/519761974.db2.gz	LJLTZKMTOLPTAE-QHCPKHFHSA-N	0	3	481.549	4.160	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Br)c1	ZINC000009071579	520653907	/nfs/dbraw/zinc/65/39/07/520653907.db2.gz	PIFBTSGPISXQTD-SELCWUDQSA-N	0	3	463.397	4.274	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000020436594	520659614	/nfs/dbraw/zinc/65/96/14/520659614.db2.gz	DGVCAMBFCCRTIR-RUZDIDTESA-N	0	3	496.604	4.356	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000020461064	520774866	/nfs/dbraw/zinc/77/48/66/520774866.db2.gz	LSLWMDPPBZSLMI-RUZDIDTESA-N	0	3	496.604	4.356	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1	ZINC000009360570	520859515	/nfs/dbraw/zinc/85/95/15/520859515.db2.gz	PKJMHTRZDHRJEY-QHCPKHFHSA-N	0	3	451.567	4.181	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009411531	520860049	/nfs/dbraw/zinc/86/00/49/520860049.db2.gz	OMXYYTUXASIXPY-XMMPIXPASA-N	0	3	466.578	4.491	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009411531	520860060	/nfs/dbraw/zinc/86/00/60/520860060.db2.gz	OMXYYTUXASIXPY-XMMPIXPASA-N	0	3	466.578	4.491	50	30		JIEAHN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020393428	520909270	/nfs/dbraw/zinc/90/92/70/520909270.db2.gz	FIWFUTNOMGKOPP-CJAUYULYSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020392700	521267138	/nfs/dbraw/zinc/26/71/38/521267138.db2.gz	JGISNTXCYDWYOF-VWLOTQADSA-N	0	3	496.604	4.269	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000009240385	523369634	/nfs/dbraw/zinc/36/96/34/523369634.db2.gz	AEBRIUMDZVLXHQ-YDJIHCHBSA-N	0	3	463.361	4.375	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016731296	524033718	/nfs/dbraw/zinc/03/37/18/524033718.db2.gz	WTBCCONNFFJJTK-HSZRJFAPSA-N	0	3	454.542	4.317	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)oc21	ZINC000009046663	524257077	/nfs/dbraw/zinc/25/70/77/524257077.db2.gz	RKYLPRALROYLGG-NHFXJNLRSA-N	0	3	454.910	4.078	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)oc21	ZINC000009046740	524257487	/nfs/dbraw/zinc/25/74/87/524257487.db2.gz	BZBUSNDPOHCMIX-JBCNATCCSA-N	0	3	468.937	4.468	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000009360433	525221331	/nfs/dbraw/zinc/22/13/31/525221331.db2.gz	OFCJXBLEQPDCDB-XMMPIXPASA-N	0	3	482.577	4.021	50	30		JIEAHN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000016741626	525518995	/nfs/dbraw/zinc/51/89/95/525518995.db2.gz	FQOVJYUQCSLRQW-OSPHWJPCSA-N	0	3	462.590	4.447	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)ccc1OCc1ccccc1	ZINC000009046694	526199829	/nfs/dbraw/zinc/19/98/29/526199829.db2.gz	LELFGBUJKLSGQE-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Cl)c1	ZINC000009274993	527092673	/nfs/dbraw/zinc/09/26/73/527092673.db2.gz	XJJYUXVPVANFMV-OAQYLSRUSA-N	0	3	466.969	4.135	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Cl)c1	ZINC000009274993	527092681	/nfs/dbraw/zinc/09/26/81/527092681.db2.gz	XJJYUXVPVANFMV-OAQYLSRUSA-N	0	3	466.969	4.135	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1	ZINC000102877590	536561050	/nfs/dbraw/zinc/56/10/50/536561050.db2.gz	APJSGRYAHNTKJO-JBCNATCCSA-N	0	3	487.394	4.140	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1	ZINC000008836518	554736623	/nfs/dbraw/zinc/73/66/23/554736623.db2.gz	KZIWVLZHGLCXMV-NHFXJNLRSA-N	0	3	475.358	4.352	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1	ZINC000008836518	554736625	/nfs/dbraw/zinc/73/66/25/554736625.db2.gz	KZIWVLZHGLCXMV-NHFXJNLRSA-N	0	3	475.358	4.352	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000008837540	554738656	/nfs/dbraw/zinc/73/86/56/554738656.db2.gz	HNAZQNZOQFWMGB-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000008902859	554796784	/nfs/dbraw/zinc/79/67/84/554796784.db2.gz	JDNAMVRZEXJOTC-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000008921615	554818647	/nfs/dbraw/zinc/81/86/47/554818647.db2.gz	BAXHHZLVMXAEMZ-MOBKVPTQSA-N	0	3	456.970	4.455	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1	ZINC000019884252	555528484	/nfs/dbraw/zinc/52/84/84/555528484.db2.gz	CKLMDBBLBBJYJB-IBGZPJMESA-N	0	3	461.331	4.118	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000019925732	555541190	/nfs/dbraw/zinc/54/11/90/555541190.db2.gz	LGHRGQVRDQYRRU-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019928650	555544363	/nfs/dbraw/zinc/54/43/63/555544363.db2.gz	FULBZXSKKOXAHF-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000019928942	555545109	/nfs/dbraw/zinc/54/51/09/555545109.db2.gz	JZMZNBYDNWJUKG-QHCPKHFHSA-N	0	3	452.526	4.229	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000019938543	555556764	/nfs/dbraw/zinc/55/67/64/555556764.db2.gz	QTAYFKLBUVWBFI-HSZRJFAPSA-N	0	3	466.578	4.141	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cnn1-c1ccccc1	ZINC000020149885	555665696	/nfs/dbraw/zinc/66/56/96/555665696.db2.gz	VQVZPQRVJJPGNY-DEOSSOPVSA-N	0	3	458.562	4.019	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020189830	555690881	/nfs/dbraw/zinc/69/08/81/555690881.db2.gz	RAQQYZIBDNVDPS-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020189830	555690884	/nfs/dbraw/zinc/69/08/84/555690884.db2.gz	RAQQYZIBDNVDPS-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020193061	555693914	/nfs/dbraw/zinc/69/39/14/555693914.db2.gz	LEIUNCQYMWDTAG-FQEVSTJZSA-N	0	3	457.596	4.079	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020229705	555720203	/nfs/dbraw/zinc/72/02/03/555720203.db2.gz	ASYXAAZEMUFASA-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020229705	555720207	/nfs/dbraw/zinc/72/02/07/555720207.db2.gz	ASYXAAZEMUFASA-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020234201	555725914	/nfs/dbraw/zinc/72/59/14/555725914.db2.gz	IVNWCVJNJORNEH-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020267356	555748575	/nfs/dbraw/zinc/74/85/75/555748575.db2.gz	HTRNWUXWJXURCG-AVRWGWEMSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020280663	555751592	/nfs/dbraw/zinc/75/15/92/555751592.db2.gz	UWNPUYYZIRDYDI-JOCHJYFZSA-N	0	3	472.607	4.466	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000024116201	556122370	/nfs/dbraw/zinc/12/23/70/556122370.db2.gz	ZLXRNFHOEWDEKT-RUZDIDTESA-N	0	3	476.573	4.265	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c(C)c1	ZINC000017137769	556224182	/nfs/dbraw/zinc/22/41/82/556224182.db2.gz	PANANUROZASJPJ-HSZRJFAPSA-N	0	3	451.567	4.099	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@H]1c1ccc(C)o1	ZINC000013124738	556340466	/nfs/dbraw/zinc/34/04/66/556340466.db2.gz	BSQYZRSGWDKROS-HSZRJFAPSA-N	0	3	462.550	4.002	50	30		JIEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1	ZINC000055414554	569592009	/nfs/dbraw/zinc/59/20/09/569592009.db2.gz	UTDOJRSRMAYYBS-DEOSSOPVSA-N	0	3	477.568	4.303	50	30		JIEAHN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3[C@H]3O[C@@]312	ZINC000061997752	569609937	/nfs/dbraw/zinc/60/99/37/569609937.db2.gz	XIHIUTYLXLZFNU-RHQQZPFOSA-N	0	3	478.555	4.353	50	30	biogenic	JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(O)cc1	ZINC000102169085	569810449	/nfs/dbraw/zinc/81/04/49/569810449.db2.gz	FFFLMZQJAZLCAZ-SBXHHDGASA-N	0	3	466.578	4.109	50	30		JIEAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@@H]3C2=O)cc1	ZINC000102761478	569821932	/nfs/dbraw/zinc/82/19/32/569821932.db2.gz	NTZYRNMWDDLBAP-CCDWMCETSA-N	0	3	453.498	4.398	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccnc1	ZINC000102861648	569824972	/nfs/dbraw/zinc/82/49/72/569824972.db2.gz	ALBXSIRPHISGIG-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1	ZINC000104999491	569848905	/nfs/dbraw/zinc/84/89/05/569848905.db2.gz	OHKDJIIUFCLVDS-RUZDIDTESA-N	0	3	459.590	4.201	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245326629	570064884	/nfs/dbraw/zinc/06/48/84/570064884.db2.gz	GOELTSKLAFHWFG-XUZZJYLKSA-N	0	3	454.636	4.292	50	30		JIEAHN
CC(C)C1SC(=NN=Cc2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)NC1=O	ZINC000252600752	570085071	/nfs/dbraw/zinc/08/50/71/570085071.db2.gz	DUGHVTNBHLKMIJ-OAQYLSRUSA-N	0	3	467.572	4.185	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000102490838	130144817	/nfs/dbraw/zinc/14/48/17/130144817.db2.gz	KSUGQLZYPNRVKR-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000102490838	130144820	/nfs/dbraw/zinc/14/48/20/130144820.db2.gz	KSUGQLZYPNRVKR-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102715132	130261149	/nfs/dbraw/zinc/26/11/49/130261149.db2.gz	KVJBARBUOVONAS-SBXHHDGASA-N	0	3	450.579	4.464	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC)c1OC	ZINC000102859777	130329790	/nfs/dbraw/zinc/32/97/90/130329790.db2.gz	SIYQRCLFUQUJRV-AYWGPLOBSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000102880775	130357060	/nfs/dbraw/zinc/35/70/60/130357060.db2.gz	HHLYYDGNKVSTDK-MOBKVPTQSA-N	0	3	456.970	4.421	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000102880775	130357061	/nfs/dbraw/zinc/35/70/61/130357061.db2.gz	HHLYYDGNKVSTDK-MOBKVPTQSA-N	0	3	456.970	4.421	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccnc2)cc1	ZINC000102889202	130370239	/nfs/dbraw/zinc/37/02/39/130370239.db2.gz	PRVFZHWYSJCNMJ-AYWGPLOBSA-N	0	3	451.567	4.024	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000102891717	130373349	/nfs/dbraw/zinc/37/33/49/130373349.db2.gz	IPPDUPPLESCCDC-SBXHHDGASA-N	0	3	466.578	4.335	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000102891717	130373355	/nfs/dbraw/zinc/37/33/55/130373355.db2.gz	IPPDUPPLESCCDC-SBXHHDGASA-N	0	3	466.578	4.335	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C	ZINC000036305304	518299696	/nfs/dbraw/zinc/29/96/96/518299696.db2.gz	DCMFASWGWQOPOV-QHCPKHFHSA-N	0	3	477.605	4.357	50	30		JIEAHN
C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cc(OC)cc(OC)c1)CC2	ZINC000012181394	519000125	/nfs/dbraw/zinc/00/01/25/519000125.db2.gz	WUKIXIQQVBOFLI-SXOMAYOGSA-N	0	3	496.673	4.343	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000016212986	519043750	/nfs/dbraw/zinc/04/37/50/519043750.db2.gz	XPNAQNNIAVYAJO-XMMPIXPASA-N	0	3	464.562	4.098	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009339474	519060312	/nfs/dbraw/zinc/06/03/12/519060312.db2.gz	DNDMLPQUPAVION-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCc1ccccc1OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1	ZINC000009781793	519145357	/nfs/dbraw/zinc/14/53/57/519145357.db2.gz	XNVACWCCVJPZOD-DEOSSOPVSA-N	0	3	484.596	4.316	50	30		JIEAHN
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C/C=C/c3ccccc3OC)CC2)C1=O	ZINC000012279855	519343039	/nfs/dbraw/zinc/34/30/39/519343039.db2.gz	GGRYZQTUSZHEIZ-RZFDLJBBSA-N	0	3	489.591	4.116	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009065374	520649358	/nfs/dbraw/zinc/64/93/58/520649358.db2.gz	YCPLQOFYAWRKGV-SBXHHDGASA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000009412669	520652345	/nfs/dbraw/zinc/65/23/45/520652345.db2.gz	BCCQEEFMGDMHMV-NPJIAGGLSA-N	0	3	496.604	4.199	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000020358266	520658165	/nfs/dbraw/zinc/65/81/65/520658165.db2.gz	NGDZYJNRXZUPJU-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000020443479	520783999	/nfs/dbraw/zinc/78/39/99/520783999.db2.gz	YVMRSYLIUPGFQA-DEOSSOPVSA-N	0	3	482.577	4.108	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000009270888	520874115	/nfs/dbraw/zinc/87/41/15/520874115.db2.gz	IRYTVPMJEHNCCF-NRFANRHFSA-N	0	3	460.933	4.408	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009339614	521233339	/nfs/dbraw/zinc/23/33/39/521233339.db2.gz	TYEVOIJHLLYPOE-ZHHPLPSFSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009411330	521578942	/nfs/dbraw/zinc/57/89/42/521578942.db2.gz	WVMLQWVYOLMCJC-NPJIAGGLSA-N	0	3	480.605	4.494	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)c(C)c1	ZINC000009233501	523552775	/nfs/dbraw/zinc/55/27/75/523552775.db2.gz	JCDYPEUWIWZDCZ-OAQYLSRUSA-N	0	3	487.394	4.296	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000009313001	526199260	/nfs/dbraw/zinc/19/92/60/526199260.db2.gz	JZZBAGFPKWFNEU-QHCPKHFHSA-N	0	3	481.549	4.220	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)cc1	ZINC000008817638	554700736	/nfs/dbraw/zinc/70/07/36/554700736.db2.gz	DIRMDVKPHVAXKS-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]14)CC2	ZINC000008918476	554815105	/nfs/dbraw/zinc/81/51/05/554815105.db2.gz	CQJFZXWCWINNNN-RWPFGKDSSA-N	0	3	455.595	4.148	50	30	biogenic	JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000019928781	555544740	/nfs/dbraw/zinc/54/47/40/555544740.db2.gz	LZUBTCJJOQXXIP-VWLOTQADSA-N	0	3	477.605	4.156	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000019928761	555544807	/nfs/dbraw/zinc/54/48/07/555544807.db2.gz	YAFRXHCILHPMLV-XMMPIXPASA-N	0	3	464.562	4.098	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938345	555556056	/nfs/dbraw/zinc/55/60/56/555556056.db2.gz	VUTWVJSLSXDUPD-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938345	555556060	/nfs/dbraw/zinc/55/60/60/555556060.db2.gz	VUTWVJSLSXDUPD-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1CCN(CC)CC	ZINC000020057930	555621513	/nfs/dbraw/zinc/62/15/13/555621513.db2.gz	LQNQLACNIRCPDP-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020133392	555657474	/nfs/dbraw/zinc/65/74/74/555657474.db2.gz	DTONMURUYXZEQQ-FQEVSTJZSA-N	0	3	457.596	4.079	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cc(OC)ccc1OC	ZINC000020149944	555665729	/nfs/dbraw/zinc/66/57/29/555665729.db2.gz	CXSLFZMMEPZCOF-XMMPIXPASA-N	0	3	478.545	4.370	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020150017	555666098	/nfs/dbraw/zinc/66/60/98/555666098.db2.gz	PSIQQKRVWVXYJY-JOCHJYFZSA-N	0	3	463.490	4.261	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219429	555714490	/nfs/dbraw/zinc/71/44/90/555714490.db2.gz	WXBQNYLOBFXMRG-HSZRJFAPSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020219471	555714521	/nfs/dbraw/zinc/71/45/21/555714521.db2.gz	JWAKNVUFIGGJNV-DEOSSOPVSA-N	0	3	482.577	4.021	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccc(Cl)cc1	ZINC000020219809	555716222	/nfs/dbraw/zinc/71/62/22/555716222.db2.gz	CNOIWSPPWOZXBC-QFIPXVFZSA-N	0	3	466.969	4.216	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Br)cc3)oc21	ZINC000020219885	555716565	/nfs/dbraw/zinc/71/65/65/555716565.db2.gz	VFVWGWYGGVDJNA-HXUWFJFHSA-N	0	3	499.361	4.344	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020229800	555720339	/nfs/dbraw/zinc/72/03/39/555720339.db2.gz	XQDUMCKOEHKZNO-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020231417	555721420	/nfs/dbraw/zinc/72/14/20/555721420.db2.gz	FPKUTBVPALYRJH-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020234205	555725911	/nfs/dbraw/zinc/72/59/11/555725911.db2.gz	IVNWCVJNJORNEH-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020263363	555745346	/nfs/dbraw/zinc/74/53/46/555745346.db2.gz	SVAVHQQANHLIOX-NRFANRHFSA-N	0	3	458.580	4.076	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020264366	555746496	/nfs/dbraw/zinc/74/64/96/555746496.db2.gz	WDYRLRHNPNRZGS-QFIPXVFZSA-N	0	3	472.607	4.466	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1F	ZINC000020288923	555758928	/nfs/dbraw/zinc/75/89/28/555758928.db2.gz	CWCNVKIGFZRSCM-MWTRTKDXSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020330899	555775883	/nfs/dbraw/zinc/77/58/83/555775883.db2.gz	SNKRJLGNIHWLNT-IQGLISFBSA-N	0	3	478.589	4.329	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000024117183	556122314	/nfs/dbraw/zinc/12/23/14/556122314.db2.gz	SSOBUASPABQQNW-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000024116196	556122362	/nfs/dbraw/zinc/12/23/62/556122362.db2.gz	ZLXRNFHOEWDEKT-VWLOTQADSA-N	0	3	476.573	4.265	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)CC1	ZINC000061997031	569609860	/nfs/dbraw/zinc/60/98/60/569609860.db2.gz	XVZKHNJQQWAJGA-WNWLVXNKSA-N	0	3	459.030	4.297	50	30	biogenic	JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101864265	569806466	/nfs/dbraw/zinc/80/64/66/569806466.db2.gz	OKIXUCDJNVUARE-AYWGPLOBSA-N	0	3	481.549	4.003	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1Cl	ZINC000102927976	569826899	/nfs/dbraw/zinc/82/68/99/569826899.db2.gz	QOLXRQADTMJSKQ-MOBKVPTQSA-N	0	3	456.970	4.421	50	30		JIEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2C)=C(O)C(=O)N1CCCN(C)C	ZINC000102929521	569827756	/nfs/dbraw/zinc/82/77/56/569827756.db2.gz	MKGIXFJEDCAUIE-NPJIAGGLSA-N	0	3	480.605	4.412	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1Cl	ZINC000102929975	569828097	/nfs/dbraw/zinc/82/80/97/569828097.db2.gz	MWNFKZAMTLHGLE-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1	ZINC000102932082	569828646	/nfs/dbraw/zinc/82/86/46/569828646.db2.gz	OYGYNHIBPDZDHU-NHFXJNLRSA-N	0	3	457.368	4.131	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102931798	569828679	/nfs/dbraw/zinc/82/86/79/569828679.db2.gz	DWHSGPVGQLQFBW-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
COc1cccc(NC(=NC(=O)c2ccc(CN3CCCCC3)cc2)NCc2ccncc2)c1	ZINC000045940088	569840342	/nfs/dbraw/zinc/84/03/42/569840342.db2.gz	ZURXDDPWEDZVRX-UHFFFAOYSA-N	0	3	457.578	4.474	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000105003383	569849492	/nfs/dbraw/zinc/84/94/92/569849492.db2.gz	XLKUXNFBRRZDCC-IFMALSPDSA-N	0	3	472.651	4.301	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102502623	130156430	/nfs/dbraw/zinc/15/64/30/130156430.db2.gz	GYXCLMCNUMVUQU-WOOAAIBNSA-N	0	3	477.786	4.476	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000102540962	130196983	/nfs/dbraw/zinc/19/69/83/130196983.db2.gz	QOYGBSQZMOBFRX-JBCNATCCSA-N	0	3	487.940	4.020	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000102861925	130332636	/nfs/dbraw/zinc/33/26/36/130332636.db2.gz	JCTHTYWWQRQQCK-SBXHHDGASA-N	0	3	450.579	4.330	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000102861925	130332639	/nfs/dbraw/zinc/33/26/39/130332639.db2.gz	JCTHTYWWQRQQCK-SBXHHDGASA-N	0	3	450.579	4.330	50	30		JIEAHN
Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]2[C@@H]1c1ccco1	ZINC000102862232	130333978	/nfs/dbraw/zinc/33/39/78/130333978.db2.gz	DVZRMSGKLFQKGV-FSSWDIPSSA-N	0	3	459.527	4.451	50	30		JIEAHN
Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@@H]1c1ccco1	ZINC000102862225	130334136	/nfs/dbraw/zinc/33/41/36/130334136.db2.gz	DVZRMSGKLFQKGV-FKBYEOEOSA-N	0	3	459.527	4.451	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000102863609	130335195	/nfs/dbraw/zinc/33/51/95/130335195.db2.gz	AJQZDSTUUPIOJD-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000102863609	130335199	/nfs/dbraw/zinc/33/51/99/130335199.db2.gz	AJQZDSTUUPIOJD-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC	ZINC000036306177	518300810	/nfs/dbraw/zinc/30/08/10/518300810.db2.gz	CNXMCJQHRYEAOT-GMAHTHKFSA-N	0	3	477.605	4.499	50	30		JIEAHN
C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1	ZINC000036309306	518722463	/nfs/dbraw/zinc/72/24/63/518722463.db2.gz	LRLHTEWKDIRVOX-RDPSFJRHSA-N	0	3	472.651	4.301	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036309083	518724541	/nfs/dbraw/zinc/72/45/41/518724541.db2.gz	GOELTSKLAFHWFG-URXFXBBRSA-N	0	3	454.636	4.292	50	30		JIEAHN
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000016751551	519049888	/nfs/dbraw/zinc/04/98/88/519049888.db2.gz	LJYWHUCKKMXJHX-DEOSSOPVSA-N	0	3	480.536	4.393	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000009008695	520324851	/nfs/dbraw/zinc/32/48/51/520324851.db2.gz	RCHRTQUTASDVFS-QHCPKHFHSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016741552	520421708	/nfs/dbraw/zinc/42/17/08/520421708.db2.gz	OFZZMLXHDWZLLP-RUZDIDTESA-N	0	3	494.588	4.167	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000016741552	520421712	/nfs/dbraw/zinc/42/17/12/520421712.db2.gz	OFZZMLXHDWZLLP-RUZDIDTESA-N	0	3	494.588	4.167	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009135749	520431153	/nfs/dbraw/zinc/43/11/53/520431153.db2.gz	WBJRKXRKMOHZDH-AYWGPLOBSA-N	0	3	454.542	4.378	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009135749	520431159	/nfs/dbraw/zinc/43/11/59/520431159.db2.gz	WBJRKXRKMOHZDH-AYWGPLOBSA-N	0	3	454.542	4.378	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009271683	520648375	/nfs/dbraw/zinc/64/83/75/520648375.db2.gz	HUDIIXCIGJNKDG-HOGKFDNTSA-N	0	3	493.516	4.113	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OC)cc1	ZINC000009334314	520648870	/nfs/dbraw/zinc/64/88/70/520648870.db2.gz	JHMDCTCQRWHHFV-ZHHPLPSFSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F	ZINC000009270673	520649465	/nfs/dbraw/zinc/64/94/65/520649465.db2.gz	YKVCMEAACWMUMY-NHFXJNLRSA-N	0	3	475.358	4.352	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1F	ZINC000009041437	520649536	/nfs/dbraw/zinc/64/95/36/520649536.db2.gz	MKZZJHPKEHFKBF-MOBKVPTQSA-N	0	3	466.509	4.344	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009350244	520650391	/nfs/dbraw/zinc/65/03/91/520650391.db2.gz	MTWAPDUKJQTBSZ-ZHHPLPSFSA-N	0	3	481.549	4.146	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000009244144	520651144	/nfs/dbraw/zinc/65/11/44/520651144.db2.gz	CITXAZMWNCOUSC-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000020437630	520774461	/nfs/dbraw/zinc/77/44/61/520774461.db2.gz	DZOOTESFOVSBFK-RUZDIDTESA-N	0	3	496.604	4.498	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000009357451	520856487	/nfs/dbraw/zinc/85/64/87/520856487.db2.gz	CGLODCSYPOKELY-XMMPIXPASA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1	ZINC000009243645	520856878	/nfs/dbraw/zinc/85/68/78/520856878.db2.gz	IZECVWKPTYLJTB-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccnc2)cc1	ZINC000009014343	520860326	/nfs/dbraw/zinc/86/03/26/520860326.db2.gz	GIUWHEBCPKBDFL-HSZRJFAPSA-N	0	3	451.567	4.181	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1Cl	ZINC000009175033	520874099	/nfs/dbraw/zinc/87/40/99/520874099.db2.gz	BXNCWQKADVZTRQ-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1	ZINC000019884179	524054955	/nfs/dbraw/zinc/05/49/55/524054955.db2.gz	KMUSSIPBWVHKNK-LJQANCHMSA-N	0	3	461.331	4.118	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccncc3)cc2)c1	ZINC000004041209	524444771	/nfs/dbraw/zinc/44/47/71/524444771.db2.gz	WUMPEPHNNCQCPJ-VWLOTQADSA-N	0	3	471.557	4.109	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccnc1	ZINC000009271541	525374311	/nfs/dbraw/zinc/37/43/11/525374311.db2.gz	TYAFDFSPBCZZMA-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000102873649	535688252	/nfs/dbraw/zinc/68/82/52/535688252.db2.gz	KODBFBSCZIMPLQ-NPJIAGGLSA-N	0	3	496.604	4.117	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000102524237	536561796	/nfs/dbraw/zinc/56/17/96/536561796.db2.gz	WWEFOIRQVAZSCF-JBCNATCCSA-N	0	3	493.387	4.384	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000102524245	536563370	/nfs/dbraw/zinc/56/33/70/536563370.db2.gz	WWEFOIRQVAZSCF-MRJHHRETSA-N	0	3	493.387	4.384	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102436346	536563897	/nfs/dbraw/zinc/56/38/97/536563897.db2.gz	FVUJBTDUYLXVFG-AYWGPLOBSA-N	0	3	450.579	4.366	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)c(C)c1	ZINC000102483879	536564512	/nfs/dbraw/zinc/56/45/12/536564512.db2.gz	KYAVYLWXUFUMEC-MRJHHRETSA-N	0	3	487.394	4.140	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1C	ZINC000008836635	554736882	/nfs/dbraw/zinc/73/68/82/554736882.db2.gz	AFDXLVOGOMSOHQ-DEOSSOPVSA-N	0	3	465.594	4.489	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl	ZINC000008904638	554799053	/nfs/dbraw/zinc/79/90/53/554799053.db2.gz	OGVHJNCVUQUGDC-YDJIHCHBSA-N	0	3	463.361	4.375	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000009007593	554861043	/nfs/dbraw/zinc/86/10/43/554861043.db2.gz	OVWYEIVLZLLZPP-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000019885641	555528715	/nfs/dbraw/zinc/52/87/15/555528715.db2.gz	ALLBAKYDVPVWBV-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000019885647	555528760	/nfs/dbraw/zinc/52/87/60/555528760.db2.gz	NZKHVZDZDGYJJO-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000013597917	555529509	/nfs/dbraw/zinc/52/95/09/555529509.db2.gz	RUFVWHPMERHXFX-TYUZMCSHSA-N	0	3	464.562	4.024	50	30		JIEAHN
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C	ZINC000019938366	555556171	/nfs/dbraw/zinc/55/61/71/555556171.db2.gz	DMINLHDXIUXMEJ-HSZRJFAPSA-N	0	3	470.566	4.243	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000020064610	555624884	/nfs/dbraw/zinc/62/48/84/555624884.db2.gz	ORHOFHXBYLLTOQ-VWLOTQADSA-N	0	3	496.604	4.274	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(Br)c1	ZINC000020150034	555666002	/nfs/dbraw/zinc/66/60/02/555666002.db2.gz	JSRZSLXARGOZEX-SFHVURJKSA-N	0	3	492.439	4.443	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000020189730	555690838	/nfs/dbraw/zinc/69/08/38/555690838.db2.gz	OJDIXEZGLYCRMG-HSZRJFAPSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OC)c1	ZINC000020219861	555716246	/nfs/dbraw/zinc/71/62/46/555716246.db2.gz	SHJFBXLTHHELOZ-QHCPKHFHSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020229802	555720229	/nfs/dbraw/zinc/72/02/29/555720229.db2.gz	XQDUMCKOEHKZNO-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020229707	555720345	/nfs/dbraw/zinc/72/03/45/555720345.db2.gz	ASYXAAZEMUFASA-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020229707	555720346	/nfs/dbraw/zinc/72/03/46/555720346.db2.gz	ASYXAAZEMUFASA-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020262812	555745111	/nfs/dbraw/zinc/74/51/11/555745111.db2.gz	KLAXPNPVIBRFDX-QHCPKHFHSA-N	0	3	470.541	4.153	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1F	ZINC000020288914	555758920	/nfs/dbraw/zinc/75/89/20/555758920.db2.gz	CWCNVKIGFZRSCM-HJPURHCSSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)c(C)c1	ZINC000017181099	556235176	/nfs/dbraw/zinc/23/51/76/556235176.db2.gz	NEUCKWYNOLTQEU-DEOSSOPVSA-N	0	3	466.578	4.410	50	30		JIEAHN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102076678	569809419	/nfs/dbraw/zinc/80/94/19/569809419.db2.gz	OQMIVSKGJCAITR-HUPAGYGUSA-N	0	3	492.616	4.418	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	ZINC000102175452	569810726	/nfs/dbraw/zinc/81/07/26/569810726.db2.gz	UUJCHOBLTYLOFL-SBXHHDGASA-N	0	3	495.576	4.311	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000102861321	569825038	/nfs/dbraw/zinc/82/50/38/569825038.db2.gz	HPLRAYNXTDHVPI-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009046263	124013265	/nfs/dbraw/zinc/01/32/65/124013265.db2.gz	DYLYWEGLIVPILV-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009046263	124013274	/nfs/dbraw/zinc/01/32/74/124013274.db2.gz	DYLYWEGLIVPILV-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)CC1	ZINC000059415243	195399525	/nfs/dbraw/zinc/39/95/25/195399525.db2.gz	GIBRBGJBXZRMRN-WWXWWJBRSA-N	0	3	459.030	4.296	50	30	biogenic	JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)ccc1OCc1ccccc1	ZINC000102485210	130139543	/nfs/dbraw/zinc/13/95/43/130139543.db2.gz	JJKJQYKKUSPVTM-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000102523558	130176268	/nfs/dbraw/zinc/17/62/68/130176268.db2.gz	AKOQEMKJWDJISL-ZHHPLPSFSA-N	0	3	481.549	4.064	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102603930	130221568	/nfs/dbraw/zinc/22/15/68/130221568.db2.gz	UERGUMXEULTFLZ-SBXHHDGASA-N	0	3	450.579	4.410	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C	ZINC000102706799	130252931	/nfs/dbraw/zinc/25/29/31/130252931.db2.gz	SAFCCBMWHWWPSG-ZHHPLPSFSA-N	0	3	454.542	4.295	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(O)cc3)cc2)c1	ZINC000102717934	130264158	/nfs/dbraw/zinc/26/41/58/130264158.db2.gz	ODYSZAWBLJJJOP-CJJGVWJISA-N	0	3	486.568	4.263	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000102861928	130332587	/nfs/dbraw/zinc/33/25/87/130332587.db2.gz	JCTHTYWWQRQQCK-NXLSWJSLSA-N	0	3	450.579	4.330	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000102861928	130332590	/nfs/dbraw/zinc/33/25/90/130332590.db2.gz	JCTHTYWWQRQQCK-NXLSWJSLSA-N	0	3	450.579	4.330	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000102865969	130339116	/nfs/dbraw/zinc/33/91/16/130339116.db2.gz	KGJGBQXKSKKGQT-IUKMQXEJSA-N	0	3	496.604	4.343	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000102926070	130397086	/nfs/dbraw/zinc/39/70/86/130397086.db2.gz	UVDYNYQJJOZQLL-NPJIAGGLSA-N	0	3	496.604	4.262	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009301905	519046259	/nfs/dbraw/zinc/04/62/59/519046259.db2.gz	WEHLYLFZECJVRW-AYWGPLOBSA-N	0	3	452.526	4.154	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009301905	519046265	/nfs/dbraw/zinc/04/62/65/519046265.db2.gz	WEHLYLFZECJVRW-AYWGPLOBSA-N	0	3	452.526	4.154	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000009339572	519057459	/nfs/dbraw/zinc/05/74/59/519057459.db2.gz	WARXGLMITFTTNE-ZHHPLPSFSA-N	0	3	452.526	4.154	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009065116	519060868	/nfs/dbraw/zinc/06/08/68/519060868.db2.gz	HTLBGFMQUZLXQR-MOBKVPTQSA-N	0	3	499.405	4.387	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C/C=C/c3ccccc3OC)CC2)C1=O	ZINC000012279856	519339622	/nfs/dbraw/zinc/33/96/22/519339622.db2.gz	GGRYZQTUSZHEIZ-IINUCZPTSA-N	0	3	489.591	4.116	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009333977	520325284	/nfs/dbraw/zinc/32/52/84/520325284.db2.gz	IOQRFWWQEMJOTD-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016730928	520422800	/nfs/dbraw/zinc/42/28/00/520422800.db2.gz	ZARUTSCACQLALQ-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009373739	520469444	/nfs/dbraw/zinc/46/94/44/520469444.db2.gz	DSAPKKICXXJGFW-ONDFOOFZSA-N	0	3	478.589	4.172	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1OC	ZINC000009046433	520647672	/nfs/dbraw/zinc/64/76/72/520647672.db2.gz	OIYQIDHYKRSKJL-MRJHHRETSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1	ZINC000009334466	520650302	/nfs/dbraw/zinc/65/03/02/520650302.db2.gz	DGRKTMRDNPEJFD-JBCNATCCSA-N	0	3	487.394	4.221	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1	ZINC000009334466	520650307	/nfs/dbraw/zinc/65/03/07/520650307.db2.gz	DGRKTMRDNPEJFD-JBCNATCCSA-N	0	3	487.394	4.221	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000009233370	520874424	/nfs/dbraw/zinc/87/44/24/520874424.db2.gz	KNSKMCJLPLNQBS-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000009046387	521264920	/nfs/dbraw/zinc/26/49/20/521264920.db2.gz	IMPZRANNKGWONT-MOBKVPTQSA-N	0	3	472.607	4.309	50	30		JIEAHN
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C	ZINC000019938365	522957442	/nfs/dbraw/zinc/95/74/42/522957442.db2.gz	DMINLHDXIUXMEJ-QHCPKHFHSA-N	0	3	470.566	4.243	50	30		JIEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000009244241	524110840	/nfs/dbraw/zinc/11/08/40/524110840.db2.gz	KKFSRADIVIFKJF-HSZRJFAPSA-N	0	3	482.577	4.021	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1	ZINC000009436765	525173657	/nfs/dbraw/zinc/17/36/57/525173657.db2.gz	SVAOBEAECKMDJV-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102882408	536566409	/nfs/dbraw/zinc/56/64/09/536566409.db2.gz	FHGDEPNLXDUOMM-AYWGPLOBSA-N	0	3	450.579	4.284	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1	ZINC000008739849	554641572	/nfs/dbraw/zinc/64/15/72/554641572.db2.gz	OLYPSRJHKYROHV-NPJIAGGLSA-N	0	3	496.604	4.260	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1	ZINC000008739849	554641574	/nfs/dbraw/zinc/64/15/74/554641574.db2.gz	OLYPSRJHKYROHV-NPJIAGGLSA-N	0	3	496.604	4.260	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008837339	554738155	/nfs/dbraw/zinc/73/81/55/554738155.db2.gz	HYVJMHLAXFVRMC-HOGKFDNTSA-N	0	3	493.516	4.113	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000008902372	554796317	/nfs/dbraw/zinc/79/63/17/554796317.db2.gz	HNAZQNZOQFWMGB-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C)o1	ZINC000008903872	554798089	/nfs/dbraw/zinc/79/80/89/554798089.db2.gz	IRYACOSIZAYCKH-MRJHHRETSA-N	0	3	452.507	4.106	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000008981423	554847090	/nfs/dbraw/zinc/84/70/90/554847090.db2.gz	VFKRXVORPXKBNE-ZHHPLPSFSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000008981423	554847091	/nfs/dbraw/zinc/84/70/91/554847091.db2.gz	VFKRXVORPXKBNE-ZHHPLPSFSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000008986199	554849256	/nfs/dbraw/zinc/84/92/56/554849256.db2.gz	YWKYWJZKKABBGG-IUKMQXEJSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000013427150	555399928	/nfs/dbraw/zinc/39/99/28/555399928.db2.gz	DVLPRJWZSOCHFD-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000019938375	555556110	/nfs/dbraw/zinc/55/61/10/555556110.db2.gz	VNOKSFJNAYUJFX-SANMLTNESA-N	0	3	486.568	4.414	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019938502	555556483	/nfs/dbraw/zinc/55/64/83/555556483.db2.gz	CBUCKVOEBHIPQJ-IQGLISFBSA-N	0	3	476.573	4.105	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020057664	555620675	/nfs/dbraw/zinc/62/06/75/555620675.db2.gz	OKWPUKXXAQESMP-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020189491	555690799	/nfs/dbraw/zinc/69/07/99/555690799.db2.gz	KXVJIURKFHRNJF-VWLOTQADSA-N	0	3	496.604	4.329	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C)o1	ZINC000020219845	555716191	/nfs/dbraw/zinc/71/61/91/555716191.db2.gz	OHLVQHGLLKKREM-NRFANRHFSA-N	0	3	452.507	4.263	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1	ZINC000020233219	555723897	/nfs/dbraw/zinc/72/38/97/555723897.db2.gz	WIMCCOZJMCNCDA-QFIPXVFZSA-N	0	3	454.954	4.435	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020263719	555746170	/nfs/dbraw/zinc/74/61/70/555746170.db2.gz	RAHYOHDADQPFHO-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCCOC)CC1	ZINC000014537470	555827075	/nfs/dbraw/zinc/82/70/75/555827075.db2.gz	ZZRJUERHEVZEHV-HSZRJFAPSA-N	0	3	466.626	4.020	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000024081387	556120720	/nfs/dbraw/zinc/12/07/20/556120720.db2.gz	HZVIMHWDNPKMQQ-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(OC)c2)cc1	ZINC000016734465	556155544	/nfs/dbraw/zinc/15/55/44/556155544.db2.gz	LCMVSQUIYPSNGA-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000017146297	556226430	/nfs/dbraw/zinc/22/64/30/556226430.db2.gz	LNWMYCJBCBIXFX-HXUWFJFHSA-N	0	3	457.914	4.168	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1	ZINC000019808965	556380163	/nfs/dbraw/zinc/38/01/63/556380163.db2.gz	MWEQVZSDRYCKLC-HXUWFJFHSA-N	0	3	457.368	4.369	50	30		JIEAHN
CCOC(=O)[C@H]1CCCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)C1	ZINC000034573342	569640200	/nfs/dbraw/zinc/64/02/00/569640200.db2.gz	HLRGOZJMESLHHD-RDJZCZTQSA-N	0	3	476.396	4.024	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102169940	569810543	/nfs/dbraw/zinc/81/05/43/569810543.db2.gz	XLMQEYJQOILFHD-ZHHPLPSFSA-N	0	3	481.549	4.003	50	30		JIEAHN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C	ZINC000102175330	569810643	/nfs/dbraw/zinc/81/06/43/569810643.db2.gz	MVPSTNDPPXDKRO-AYWGPLOBSA-N	0	3	454.542	4.152	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	ZINC000102175449	569810666	/nfs/dbraw/zinc/81/06/66/569810666.db2.gz	UUJCHOBLTYLOFL-NXLSWJSLSA-N	0	3	495.576	4.311	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)ccc1OCC(C)C	ZINC000102175380	569810709	/nfs/dbraw/zinc/81/07/09/569810709.db2.gz	FZAWKHRYLWBSRT-SBXHHDGASA-N	0	3	466.578	4.109	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000102863442	569825386	/nfs/dbraw/zinc/82/53/86/569825386.db2.gz	LSEZRPDSAYHDNP-IUKMQXEJSA-N	0	3	496.604	4.262	50	30		JIEAHN
Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)c([O-])cn1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217965804	569882252	/nfs/dbraw/zinc/88/22/52/569882252.db2.gz	KSPZVLLCXHQOPF-QFBILLFUSA-N	0	3	487.467	4.349	50	30	biogenic	JIEAHN
Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)c([O-])cn1C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217965804	569882253	/nfs/dbraw/zinc/88/22/53/569882253.db2.gz	KSPZVLLCXHQOPF-QFBILLFUSA-N	0	3	487.467	4.349	50	30	biogenic	JIEAHN
Cc1ccccc1N1OC2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]2[C@H]1c1ccco1	ZINC000245238053	570057378	/nfs/dbraw/zinc/05/73/78/570057378.db2.gz	DVZRMSGKLFQKGV-BDTNDASRSA-N	0	3	459.527	4.451	50	30		JIEAHN
Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)cn1-c1ccc(N2CCOCC2)cc1	ZINC000003176722	194234755	/nfs/dbraw/zinc/23/47/55/194234755.db2.gz	PTKXXKCLDULWOK-UHFFFAOYSA-N	0	3	452.967	4.017	50	30		JIEAHN
COCc1nccc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1	ZINC000058174848	195371638	/nfs/dbraw/zinc/37/16/38/195371638.db2.gz	KIABQCCNKUEZKI-KRWDZBQOSA-N	0	3	453.612	4.033	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000102534783	130189322	/nfs/dbraw/zinc/18/93/22/130189322.db2.gz	RPARSKCLAMWJQV-NHFXJNLRSA-N	0	3	455.624	4.431	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102558702	130207680	/nfs/dbraw/zinc/20/76/80/130207680.db2.gz	GAYPUAWWDGPEFZ-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccncc3)cc2)c1	ZINC000102725517	130269738	/nfs/dbraw/zinc/26/97/38/130269738.db2.gz	IDBLKWCCOFEDLY-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102866835	130339991	/nfs/dbraw/zinc/33/99/91/130339991.db2.gz	TWLJAFXDTAYUOL-NPJIAGGLSA-N	0	3	494.588	4.010	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102896086	130377833	/nfs/dbraw/zinc/37/78/33/130377833.db2.gz	PTXWGCVDUSXEFX-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(CCOC)C3=O)CC2)CC1	ZINC000012190086	518642890	/nfs/dbraw/zinc/64/28/90/518642890.db2.gz	USNGAUHBMCZJBM-GIGWZHCTSA-N	0	3	495.664	4.189	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000016732497	519021081	/nfs/dbraw/zinc/02/10/81/519021081.db2.gz	CAQKBNITCIANNG-QHCPKHFHSA-N	0	3	479.533	4.080	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(F)c2)cc1	ZINC000016733132	519021141	/nfs/dbraw/zinc/02/11/41/519021141.db2.gz	PMBUYKMWXATDBV-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)cc1	ZINC000016733156	519021154	/nfs/dbraw/zinc/02/11/54/519021154.db2.gz	IJLJCBSBKASXIL-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009313065	519060937	/nfs/dbraw/zinc/06/09/37/519060937.db2.gz	QNIKDAMRJMIGQC-IQGLISFBSA-N	0	3	476.573	4.105	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000011963680	519340503	/nfs/dbraw/zinc/34/05/03/519340503.db2.gz	WOKFSWZIPDZKBD-SSEXGKCCSA-N	0	3	485.628	4.170	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000009067735	520325186	/nfs/dbraw/zinc/32/51/86/520325186.db2.gz	ZCVJKBYTXXCGTE-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009333976	520326020	/nfs/dbraw/zinc/32/60/20/520326020.db2.gz	IOQRFWWQEMJOTD-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)cc1	ZINC000009244169	520651101	/nfs/dbraw/zinc/65/11/01/520651101.db2.gz	GMJNDEKZUOLEIG-NXLSWJSLSA-N	0	3	466.578	4.191	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)cc1	ZINC000009244169	520651106	/nfs/dbraw/zinc/65/11/06/520651106.db2.gz	GMJNDEKZUOLEIG-NXLSWJSLSA-N	0	3	466.578	4.191	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccncc1	ZINC000009178557	520653105	/nfs/dbraw/zinc/65/31/05/520653105.db2.gz	AVRLNLHGPZSHPU-SBXHHDGASA-N	0	3	465.594	4.188	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)cc1OC	ZINC000009380596	520653202	/nfs/dbraw/zinc/65/32/02/520653202.db2.gz	MEANUSHOWRHWFF-VXIGYJSRSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)cc1	ZINC000020358210	520659951	/nfs/dbraw/zinc/65/99/51/520659951.db2.gz	LJPZMMARTFZUPP-XMMPIXPASA-N	0	3	466.578	4.347	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)cc1	ZINC000020358210	520659963	/nfs/dbraw/zinc/65/99/63/520659963.db2.gz	LJPZMMARTFZUPP-XMMPIXPASA-N	0	3	466.578	4.347	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000009312039	520780550	/nfs/dbraw/zinc/78/05/50/520780550.db2.gz	IFKMQDFUZKYWOQ-IUKMQXEJSA-N	0	3	496.604	4.117	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1	ZINC000009360571	520860501	/nfs/dbraw/zinc/86/05/01/520860501.db2.gz	PKJMHTRZDHRJEY-HSZRJFAPSA-N	0	3	451.567	4.181	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000009123423	521233009	/nfs/dbraw/zinc/23/30/09/521233009.db2.gz	MVNNWCVQRMLHOW-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020392703	521239621	/nfs/dbraw/zinc/23/96/21/521239621.db2.gz	JGISNTXCYDWYOF-RUZDIDTESA-N	0	3	496.604	4.269	50	30		JIEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1C	ZINC000009073656	524021153	/nfs/dbraw/zinc/02/11/53/524021153.db2.gz	AXLIPNOTRZCOGJ-QHCPKHFHSA-N	0	3	481.593	4.072	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccncc1	ZINC000020392188	524054659	/nfs/dbraw/zinc/05/46/59/524054659.db2.gz	RLKAKARNPVOUES-RUZDIDTESA-N	0	3	471.557	4.191	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)oc21	ZINC000009046741	524257661	/nfs/dbraw/zinc/25/76/61/524257661.db2.gz	BZBUSNDPOHCMIX-MRJHHRETSA-N	0	3	468.937	4.468	50	30		JIEAHN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000016741625	524975646	/nfs/dbraw/zinc/97/56/46/524975646.db2.gz	FQOVJYUQCSLRQW-BXKMTCNYSA-N	0	3	462.590	4.447	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)ccc1OCc1ccccc1	ZINC000009008822	526199309	/nfs/dbraw/zinc/19/93/09/526199309.db2.gz	OBGHRYFOAKDJHH-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1	ZINC000102897005	535832737	/nfs/dbraw/zinc/83/27/37/535832737.db2.gz	HRQCPWKFKGVHHW-NPJIAGGLSA-N	0	3	471.557	4.034	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OC(C)C	ZINC000008743777	554646653	/nfs/dbraw/zinc/64/66/53/554646653.db2.gz	AMXHLMGMRUMASI-QHCPKHFHSA-N	0	3	454.542	4.451	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000008817336	554700123	/nfs/dbraw/zinc/70/01/23/554700123.db2.gz	PAMHDJJTTUNFOY-NPJIAGGLSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000008817336	554700124	/nfs/dbraw/zinc/70/01/24/554700124.db2.gz	PAMHDJJTTUNFOY-NPJIAGGLSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000008837527	554738541	/nfs/dbraw/zinc/73/85/41/554738541.db2.gz	JWMVSASNALNLMP-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000008837527	554738545	/nfs/dbraw/zinc/73/85/45/554738545.db2.gz	JWMVSASNALNLMP-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000008900841	554793571	/nfs/dbraw/zinc/79/35/71/554793571.db2.gz	CHDRUHNPCJYPGH-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019884049	555528093	/nfs/dbraw/zinc/52/80/93/555528093.db2.gz	MWVDEMGWPYEUED-FQEVSTJZSA-N	0	3	457.368	4.288	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938443	555556595	/nfs/dbraw/zinc/55/65/95/555556595.db2.gz	YMXHMUCKUKHMIO-AVRWGWEMSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938443	555556598	/nfs/dbraw/zinc/55/65/98/555556598.db2.gz	YMXHMUCKUKHMIO-AVRWGWEMSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000020057932	555621355	/nfs/dbraw/zinc/62/13/55/555621355.db2.gz	OQAJTDYWBJBODN-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccnc1	ZINC000020129821	555655392	/nfs/dbraw/zinc/65/53/92/555655392.db2.gz	CILCKNAVYLKTDL-DEOSSOPVSA-N	0	3	465.594	4.345	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cnn1-c1ccccc1	ZINC000020149886	555665743	/nfs/dbraw/zinc/66/57/43/555665743.db2.gz	VQVZPQRVJJPGNY-XMMPIXPASA-N	0	3	458.562	4.019	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020219873	555716414	/nfs/dbraw/zinc/71/64/14/555716414.db2.gz	SDCHACJVDPEELV-QFIPXVFZSA-N	0	3	493.516	4.270	50	30		JIEAHN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020265679	555747703	/nfs/dbraw/zinc/74/77/03/555747703.db2.gz	XGYXYCAQNDFOJM-RUZDIDTESA-N	0	3	494.588	4.167	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(F)cc1	ZINC000020295183	555763585	/nfs/dbraw/zinc/76/35/85/555763585.db2.gz	IKHLKWMNJFWEDF-MWTRTKDXSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(F)cc1	ZINC000020295183	555763586	/nfs/dbraw/zinc/76/35/86/555763586.db2.gz	IKHLKWMNJFWEDF-MWTRTKDXSA-N	0	3	452.526	4.069	50	30		JIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3CCOC)CC1	ZINC000014539822	555829680	/nfs/dbraw/zinc/82/96/80/555829680.db2.gz	FZIHUWYFYGGSJZ-XMMPIXPASA-N	0	3	481.637	4.243	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000012776154	556111194	/nfs/dbraw/zinc/11/11/94/556111194.db2.gz	WOHJFQHVGSWJNT-QFIPXVFZSA-N	0	3	463.490	4.261	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000016734867	556156180	/nfs/dbraw/zinc/15/61/80/556156180.db2.gz	GQNXZSMYEUHGRD-RUZDIDTESA-N	0	3	494.588	4.276	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1C	ZINC000017196552	556238340	/nfs/dbraw/zinc/23/83/40/556238340.db2.gz	DEUHXUXYHCLZCM-XMMPIXPASA-N	0	3	466.578	4.410	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1ccc(C)o1	ZINC000013124737	556340604	/nfs/dbraw/zinc/34/06/04/556340604.db2.gz	BSQYZRSGWDKROS-QHCPKHFHSA-N	0	3	462.550	4.002	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1	ZINC000013127401	556343465	/nfs/dbraw/zinc/34/34/65/556343465.db2.gz	VEZUZRATIHZVNW-VWLOTQADSA-N	0	3	471.557	4.191	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102169884	569810559	/nfs/dbraw/zinc/81/05/59/569810559.db2.gz	CYILJCNHZDIBQC-ZHHPLPSFSA-N	0	3	454.542	4.234	50	30		JIEAHN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102856877	569824534	/nfs/dbraw/zinc/82/45/34/569824534.db2.gz	FHXCECOEYSRUIB-IUOUCKIRSA-N	0	3	454.954	4.037	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000102928377	569827094	/nfs/dbraw/zinc/82/70/94/569827094.db2.gz	SPYUMDKXUJHDJI-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@H](C)CC	ZINC000105002390	569849036	/nfs/dbraw/zinc/84/90/36/569849036.db2.gz	CNXMCJQHRYEAOT-FYYLOGMGSA-N	0	3	477.605	4.499	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000102873556	130345047	/nfs/dbraw/zinc/34/50/47/130345047.db2.gz	FWSJANXWNAAQSR-ZHHPLPSFSA-N	0	3	454.542	4.296	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000102879419	130354250	/nfs/dbraw/zinc/35/42/50/130354250.db2.gz	WTRYWPJFRXNVBO-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1	ZINC000036306901	518304108	/nfs/dbraw/zinc/30/41/08/518304108.db2.gz	VQYOOUMGOVUWIJ-QFIPXVFZSA-N	0	3	463.553	4.241	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C	ZINC000036307073	518311164	/nfs/dbraw/zinc/31/11/64/518311164.db2.gz	QLMRWHGDVHEXGX-JOCHJYFZSA-N	0	3	451.542	4.240	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2F)cc1	ZINC000016733153	519019920	/nfs/dbraw/zinc/01/99/20/519019920.db2.gz	IJLJCBSBKASXIL-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000016732500	519020951	/nfs/dbraw/zinc/02/09/51/519020951.db2.gz	CAQKBNITCIANNG-HSZRJFAPSA-N	0	3	479.533	4.080	50	30		JIEAHN
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC	ZINC000016751537	519049182	/nfs/dbraw/zinc/04/91/82/519049182.db2.gz	RGNIRJMDXOWBNQ-QHCPKHFHSA-N	0	3	466.509	4.002	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009065114	519058609	/nfs/dbraw/zinc/05/86/09/519058609.db2.gz	HTLBGFMQUZLXQR-HOGKFDNTSA-N	0	3	499.405	4.387	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3ccc(OCC)cc3)CC2)C1=O	ZINC000014885690	519343217	/nfs/dbraw/zinc/34/32/17/519343217.db2.gz	SEJSQCVKLCGAID-GDLZYMKVSA-N	0	3	473.617	4.244	50	30		JIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000009353590	519839452	/nfs/dbraw/zinc/83/94/52/519839452.db2.gz	BJYTXMNBXWIOAF-RUZDIDTESA-N	0	3	487.556	4.446	50	30		JIEAHN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020547088	520258670	/nfs/dbraw/zinc/25/86/70/520258670.db2.gz	FNESQMSZAIBTGV-RUZDIDTESA-N	0	3	494.588	4.167	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000013427151	520324621	/nfs/dbraw/zinc/32/46/21/520324621.db2.gz	DVLPRJWZSOCHFD-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020441603	520431973	/nfs/dbraw/zinc/43/19/73/520431973.db2.gz	DLKIFKYVIQSLSM-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cc(OC)ccc1OC	ZINC000009328611	520650900	/nfs/dbraw/zinc/65/09/00/520650900.db2.gz	GDRQTKBBTFGKDM-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009350539	520651125	/nfs/dbraw/zinc/65/11/25/520651125.db2.gz	KRLNIJYPSORGDW-AYWGPLOBSA-N	0	3	481.549	4.146	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020358777	520655856	/nfs/dbraw/zinc/65/58/56/520655856.db2.gz	TZOMAZLRZVFBQH-QHCPKHFHSA-N	0	3	481.549	4.302	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000020393315	520656158	/nfs/dbraw/zinc/65/61/58/520656158.db2.gz	RACCVRLPOKXESP-XMMPIXPASA-N	0	3	482.577	4.108	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000020393315	520656166	/nfs/dbraw/zinc/65/61/66/520656166.db2.gz	RACCVRLPOKXESP-XMMPIXPASA-N	0	3	482.577	4.108	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000020395116	520658412	/nfs/dbraw/zinc/65/84/12/520658412.db2.gz	OCOLOEYFMSNURV-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020358779	520658492	/nfs/dbraw/zinc/65/84/92/520658492.db2.gz	TZOMAZLRZVFBQH-HSZRJFAPSA-N	0	3	481.549	4.302	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@H]1c1cccs1	ZINC000013124735	520659669	/nfs/dbraw/zinc/65/96/69/520659669.db2.gz	FFUZESPAEAVFDC-JOCHJYFZSA-N	0	3	464.591	4.162	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009374475	520857612	/nfs/dbraw/zinc/85/76/12/520857612.db2.gz	MVPREVUEXXHZGY-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000009353243	520858090	/nfs/dbraw/zinc/85/80/90/520858090.db2.gz	PQLXOYFLKBLVQD-VWLOTQADSA-N	0	3	496.604	4.418	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009359050	520861135	/nfs/dbraw/zinc/86/11/35/520861135.db2.gz	XYXDBKSWQLUMSV-VWLOTQADSA-N	0	3	496.604	4.500	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000009354456	520861166	/nfs/dbraw/zinc/86/11/66/520861166.db2.gz	XMXDSMAWVYIKBM-XMMPIXPASA-N	0	3	482.577	4.028	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000009270890	520873702	/nfs/dbraw/zinc/87/37/02/520873702.db2.gz	IRYTVPMJEHNCCF-OAQYLSRUSA-N	0	3	460.933	4.408	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000022275845	520875708	/nfs/dbraw/zinc/87/57/08/520875708.db2.gz	AQBCFWHCVXSKMH-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000022275845	520875713	/nfs/dbraw/zinc/87/57/13/520875713.db2.gz	AQBCFWHCVXSKMH-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OCC	ZINC000009271434	521233678	/nfs/dbraw/zinc/23/36/78/521233678.db2.gz	MDKIJWAGTOALPN-NPJIAGGLSA-N	0	3	496.604	4.255	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)cc3)oc21	ZINC000009275484	524256419	/nfs/dbraw/zinc/25/64/19/524256419.db2.gz	CCYXZIQPQKYQNP-NHFXJNLRSA-N	0	3	454.910	4.078	50	30		JIEAHN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000016741627	524978259	/nfs/dbraw/zinc/97/82/59/524978259.db2.gz	FQOVJYUQCSLRQW-XDHUDOTRSA-N	0	3	462.590	4.447	50	30		JIEAHN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000009353165	525515739	/nfs/dbraw/zinc/51/57/39/525515739.db2.gz	ZHNSOBDBPLMMJG-IVZQSRNASA-N	0	3	454.954	4.193	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000102880170	535284455	/nfs/dbraw/zinc/28/44/55/535284455.db2.gz	OSUWXFKYCRFYSE-NXLSWJSLSA-N	0	3	484.568	4.387	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1CCN(CC)CC	ZINC000102866221	535545102	/nfs/dbraw/zinc/54/51/02/535545102.db2.gz	FLMHOVRUKJTQLP-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1	ZINC000002445733	554213121	/nfs/dbraw/zinc/21/31/21/554213121.db2.gz	KNSMZPRPPITINS-HSZRJFAPSA-N	0	3	463.541	4.307	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000008902305	554796396	/nfs/dbraw/zinc/79/63/96/554796396.db2.gz	VBFVWFVDOMNTLA-NXLSWJSLSA-N	0	3	480.605	4.375	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccnc3)cc2)c1	ZINC000008914131	554807046	/nfs/dbraw/zinc/80/70/46/554807046.db2.gz	YSBGUCAKVSWCGN-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000013535911	555488256	/nfs/dbraw/zinc/48/82/56/555488256.db2.gz	HGLIMEMSQHMCBV-QHCPKHFHSA-N	0	3	450.579	4.441	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccncc1	ZINC000013582489	555520145	/nfs/dbraw/zinc/52/01/45/555520145.db2.gz	GRFNDSMMXFEBPJ-DEOSSOPVSA-N	0	3	465.594	4.345	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000019885520	555528671	/nfs/dbraw/zinc/52/86/71/555528671.db2.gz	XLZSEKPOTPKRME-VWLOTQADSA-N	0	3	479.621	4.380	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000019928945	555545044	/nfs/dbraw/zinc/54/50/44/555545044.db2.gz	JZMZNBYDNWJUKG-HSZRJFAPSA-N	0	3	452.526	4.229	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OC(C)C	ZINC000019972620	555574407	/nfs/dbraw/zinc/57/44/07/555574407.db2.gz	CJPWRTRRNCLPFG-QHCPKHFHSA-N	0	3	452.551	4.018	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccncc1	ZINC000020065128	555624839	/nfs/dbraw/zinc/62/48/39/555624839.db2.gz	LFIVUKPBKPNOGH-XMMPIXPASA-N	0	3	465.594	4.345	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1OC	ZINC000020171518	555680818	/nfs/dbraw/zinc/68/08/18/555680818.db2.gz	HZRMOMNRMWLTOI-DEOSSOPVSA-N	0	3	466.578	4.357	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020262790	555745011	/nfs/dbraw/zinc/74/50/11/555745011.db2.gz	YOPBXIBIKZSZRK-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020264369	555746467	/nfs/dbraw/zinc/74/64/67/555746467.db2.gz	WDYRLRHNPNRZGS-JOCHJYFZSA-N	0	3	472.607	4.466	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(F)cc1	ZINC000020295179	555763582	/nfs/dbraw/zinc/76/35/82/555763582.db2.gz	IKHLKWMNJFWEDF-QMHKHESXSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(F)cc1	ZINC000020295179	555763583	/nfs/dbraw/zinc/76/35/83/555763583.db2.gz	IKHLKWMNJFWEDF-QMHKHESXSA-N	0	3	452.526	4.069	50	30		JIEAHN
COc1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CN(C)CC3)cc1OC	ZINC000019798947	556376115	/nfs/dbraw/zinc/37/61/15/556376115.db2.gz	PNSRGATYCSGFBP-UHFFFAOYSA-N	0	3	474.586	4.356	50	30		JIEAHN
COc1ccc(NC(=O)CSc2nc3c(c(-c4ccsc4)c2C#N)CN(C)CC3)cc1OC	ZINC000033525398	569627262	/nfs/dbraw/zinc/62/72/62/569627262.db2.gz	YVOSJTNGBYSSLY-UHFFFAOYSA-N	0	3	480.615	4.418	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C	ZINC000036341977	569765053	/nfs/dbraw/zinc/76/50/53/569765053.db2.gz	KRJOEMCBXIWSDP-XMMPIXPASA-N	0	3	477.605	4.450	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102864904	569825592	/nfs/dbraw/zinc/82/55/92/569825592.db2.gz	KPGDFLDZYDPVOB-NXLSWJSLSA-N	0	3	495.576	4.454	50	30		JIEAHN
COc1ccc(NC(=NC(=O)c2ccc(CN3CCCCC3)cc2)NCc2ccncc2)cc1OC	ZINC000045940113	569840320	/nfs/dbraw/zinc/84/03/20/569840320.db2.gz	UOTCIQDOEPOCST-UHFFFAOYSA-N	0	3	487.604	4.483	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC	ZINC000169680287	569870350	/nfs/dbraw/zinc/87/03/50/569870350.db2.gz	VVAKLWUEPGMVDB-JTHBVZDNSA-N	0	3	477.605	4.499	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]13)CC2	ZINC000229992953	570043192	/nfs/dbraw/zinc/04/31/92/570043192.db2.gz	UCSAOIGRLWQSRE-TUMSDBSOSA-N	0	3	455.595	4.150	50	30	biogenic	JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009339615	124109043	/nfs/dbraw/zinc/10/90/43/124109043.db2.gz	TYEVOIJHLLYPOE-AYWGPLOBSA-N	0	3	478.545	4.214	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]13)CC2	ZINC000012660785	195080722	/nfs/dbraw/zinc/08/07/22/195080722.db2.gz	ZFZHYNHHVLSRHQ-WMFHKMHDSA-N	0	3	455.595	4.148	50	30	biogenic	JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(O)c2)cc1	ZINC000102526531	130178782	/nfs/dbraw/zinc/17/87/82/130178782.db2.gz	LKOJTLPCNBPVCG-CZNAVJSXSA-N	0	3	486.568	4.263	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC)c1OC	ZINC000102859773	130329782	/nfs/dbraw/zinc/32/97/82/130329782.db2.gz	SIYQRCLFUQUJRV-ZHHPLPSFSA-N	0	3	478.545	4.214	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000102878674	130352690	/nfs/dbraw/zinc/35/26/90/130352690.db2.gz	IRZVPDZWHCJUOI-HVESIFNPSA-N	0	3	468.406	4.440	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)C)cc1	ZINC000102880468	130356237	/nfs/dbraw/zinc/35/62/37/130356237.db2.gz	JSLLPEJQXDJOAC-ZZIWUOEGSA-N	0	3	495.620	4.305	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)C)cc1	ZINC000102880468	130356244	/nfs/dbraw/zinc/35/62/44/130356244.db2.gz	JSLLPEJQXDJOAC-ZZIWUOEGSA-N	0	3	495.620	4.305	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102886274	130367509	/nfs/dbraw/zinc/36/75/09/130367509.db2.gz	SXVDPBJOOHNGFN-NPJIAGGLSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102886613	130367914	/nfs/dbraw/zinc/36/79/14/130367914.db2.gz	YSXWXNRZOKHQRA-IUKMQXEJSA-N	0	3	478.589	4.345	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C	ZINC000036306682	518299552	/nfs/dbraw/zinc/29/95/52/518299552.db2.gz	OYFUOCKYUOQLCQ-QFIPXVFZSA-N	0	3	465.569	4.487	50	30		JIEAHN
C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1=O	ZINC000011789646	518605050	/nfs/dbraw/zinc/60/50/50/518605050.db2.gz	UVQCYFWBNLFWAQ-XMMPIXPASA-N	0	3	455.990	4.219	50	30		JIEAHN
C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cccc(OC)c1)CC2	ZINC000012184846	519000640	/nfs/dbraw/zinc/00/06/40/519000640.db2.gz	FWYXZXTVNLEBOB-FTJBHMTQSA-N	0	3	466.647	4.334	50	30		JIEAHN
C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC	ZINC000016751539	519046925	/nfs/dbraw/zinc/04/69/25/519046925.db2.gz	RGNIRJMDXOWBNQ-HSZRJFAPSA-N	0	3	466.509	4.002	50	30		JIEAHN
C=CCOc1ccccc1CN1CCC([C@@]2(CCc3ccccc3)NC(=O)N(CC#CC)C2=O)CC1	ZINC000011909329	519070951	/nfs/dbraw/zinc/07/09/51/519070951.db2.gz	AKIZKXBYGMWPFS-SSEXGKCCSA-N	0	3	485.628	4.410	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1F	ZINC000009041432	520649499	/nfs/dbraw/zinc/64/94/99/520649499.db2.gz	MKZZJHPKEHFKBF-HOGKFDNTSA-N	0	3	466.509	4.344	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cc(OC)ccc1OC	ZINC000020358267	520656221	/nfs/dbraw/zinc/65/62/21/520656221.db2.gz	NGDZYJNRXZUPJU-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000020436590	520656720	/nfs/dbraw/zinc/65/67/20/520656720.db2.gz	DGVCAMBFCCRTIR-VWLOTQADSA-N	0	3	496.604	4.356	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1F	ZINC000020288928	520659140	/nfs/dbraw/zinc/65/91/40/520659140.db2.gz	CWCNVKIGFZRSCM-WAIKUNEKSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000009271536	520842395	/nfs/dbraw/zinc/84/23/95/520842395.db2.gz	QHMJBSFRBORGAD-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000009271536	520842401	/nfs/dbraw/zinc/84/24/01/520842401.db2.gz	QHMJBSFRBORGAD-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009361072	520859306	/nfs/dbraw/zinc/85/93/06/520859306.db2.gz	JKBNAZDJNMRAPJ-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2)cc1Cl	ZINC000009044104	520873748	/nfs/dbraw/zinc/87/37/48/520873748.db2.gz	AWXBWZZVYHFCOE-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1C	ZINC000009236690	521361150	/nfs/dbraw/zinc/36/11/50/521361150.db2.gz	QDYIAAHFKCYNOP-QHCPKHFHSA-N	0	3	495.620	4.246	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020461485	524052820	/nfs/dbraw/zinc/05/28/20/524052820.db2.gz	RSSDXCRPFRKGAB-DEOSSOPVSA-N	0	3	450.579	4.424	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1	ZINC000009460764	524054122	/nfs/dbraw/zinc/05/41/22/524054122.db2.gz	MEVYPRBPGQJTIK-CZNAVJSXSA-N	0	3	486.568	4.345	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009353274	525366826	/nfs/dbraw/zinc/36/68/26/525366826.db2.gz	FSXVBAAISMGKOL-HSZRJFAPSA-N	0	3	481.549	4.078	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000008898352	554788659	/nfs/dbraw/zinc/78/86/59/554788659.db2.gz	SWENVGRTTSFRNL-OAQYLSRUSA-N	0	3	487.387	4.480	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000008921946	554818910	/nfs/dbraw/zinc/81/89/10/554818910.db2.gz	MYIBRSBUXHXUBU-NRFANRHFSA-N	0	3	487.940	4.177	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]31)CC2	ZINC000008952762	554836577	/nfs/dbraw/zinc/83/65/77/554836577.db2.gz	UCSAOIGRLWQSRE-MCRBDSTFSA-N	0	3	455.595	4.150	50	30	biogenic	JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019867887	555522331	/nfs/dbraw/zinc/52/23/31/555522331.db2.gz	QPDSVPYWWGSDAN-XYHFKSGJSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020064746	555624707	/nfs/dbraw/zinc/62/47/07/555624707.db2.gz	KKXASHGWEYFAOG-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020064746	555624709	/nfs/dbraw/zinc/62/47/09/555624709.db2.gz	KKXASHGWEYFAOG-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(OC)c2)cc1	ZINC000020192285	555693321	/nfs/dbraw/zinc/69/33/21/555693321.db2.gz	QAUASNNXAMOBCF-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(OC)c2)cc1	ZINC000020192285	555693324	/nfs/dbraw/zinc/69/33/24/555693324.db2.gz	QAUASNNXAMOBCF-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020219875	555716581	/nfs/dbraw/zinc/71/65/81/555716581.db2.gz	TXGHQFYNUBNMQZ-QFIPXVFZSA-N	0	3	493.516	4.270	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020267412	555748723	/nfs/dbraw/zinc/74/87/23/555748723.db2.gz	HKZBVQNTBSJFHF-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020326005	555772951	/nfs/dbraw/zinc/77/29/51/555772951.db2.gz	CLBKENZEWUDLKC-VWLOTQADSA-N	0	3	494.588	4.167	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024081075	556119758	/nfs/dbraw/zinc/11/97/58/556119758.db2.gz	YQGDISVNZPXFDC-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024081075	556119760	/nfs/dbraw/zinc/11/97/60/556119760.db2.gz	YQGDISVNZPXFDC-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)c(C)c1	ZINC000024081065	556119852	/nfs/dbraw/zinc/11/98/52/556119852.db2.gz	ILLUAIRYKYHPDS-QHCPKHFHSA-N	0	3	452.526	4.229	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1F	ZINC000016729455	556155070	/nfs/dbraw/zinc/15/50/70/556155070.db2.gz	UUWCNHVGEPXQKK-FQEVSTJZSA-N	0	3	491.357	4.127	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000019792654	556371375	/nfs/dbraw/zinc/37/13/75/556371375.db2.gz	ULOUXXLAJRDGIQ-FQEVSTJZSA-N	0	3	457.914	4.168	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]32)CC1	ZINC000061997584	569609848	/nfs/dbraw/zinc/60/98/48/569609848.db2.gz	XVZKHNJQQWAJGA-NPBASNHRSA-N	0	3	459.030	4.297	50	30	biogenic	JIEAHN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000061997751	569610083	/nfs/dbraw/zinc/61/00/83/569610083.db2.gz	XIHIUTYLXLZFNU-YZASHPNZSA-N	0	3	478.555	4.353	50	30	biogenic	JIEAHN
C[C@@H]1CC[C@@H]2[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)O[C@@]23[C@H]2O[C@@]2(C)CC[C@H]13	ZINC000253487556	570099846	/nfs/dbraw/zinc/09/98/46/570099846.db2.gz	LSDFDNALGJDQTF-KJISOHJZSA-N	0	3	478.555	4.353	50	30		JIEAHN
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)O[C@@H]1C2	ZINC000059415088	195399367	/nfs/dbraw/zinc/39/93/67/195399367.db2.gz	FQIIHRRVNVYASB-JWGCJKGUSA-N	0	3	478.555	4.354	50	30	biogenic	JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)ccc1OCc1ccccc1	ZINC000102485201	130139567	/nfs/dbraw/zinc/13/95/67/130139567.db2.gz	JJKJQYKKUSPVTM-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102858120	130328274	/nfs/dbraw/zinc/32/82/74/130328274.db2.gz	UPAYTXWACFEIIB-SBXHHDGASA-N	0	3	495.576	4.456	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccnc2)cc1C	ZINC000102864472	130335831	/nfs/dbraw/zinc/33/58/31/130335831.db2.gz	PYTWKKLQEQRXKN-NXLSWJSLSA-N	0	3	465.594	4.332	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102866836	130340125	/nfs/dbraw/zinc/34/01/25/130340125.db2.gz	TWLJAFXDTAYUOL-IUKMQXEJSA-N	0	3	494.588	4.010	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000102881643	130358685	/nfs/dbraw/zinc/35/86/85/130358685.db2.gz	ORCYHYMEBBEAAM-JBCNATCCSA-N	0	3	487.940	4.020	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)ccc1OCc1ccccc1	ZINC000102883855	130364396	/nfs/dbraw/zinc/36/43/96/130364396.db2.gz	MLLLNGZXPFDROS-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1	ZINC000036307734	518297235	/nfs/dbraw/zinc/29/72/35/518297235.db2.gz	XHZVTNOFUHQWQT-QFIPXVFZSA-N	0	3	451.542	4.241	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC	ZINC000036305817	518303767	/nfs/dbraw/zinc/30/37/67/518303767.db2.gz	VVAKLWUEPGMVDB-GGAORHGYSA-N	0	3	477.605	4.499	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000016212989	519046847	/nfs/dbraw/zinc/04/68/47/519046847.db2.gz	XPNAQNNIAVYAJO-DEOSSOPVSA-N	0	3	464.562	4.098	50	30		JIEAHN
C=CCOc1ccccc1CN1CCC([C@@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1	ZINC000012190488	519069623	/nfs/dbraw/zinc/06/96/23/519069623.db2.gz	PYCOKDWRYGEYTC-AREMUKBSSA-N	0	3	482.650	4.172	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3cccc4ncccc34)CC2)C1=O	ZINC000011967460	519340659	/nfs/dbraw/zinc/34/06/59/519340659.db2.gz	YYPKJWGJUHLGSN-PMERELPUSA-N	0	3	480.612	4.394	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C1=O	ZINC000012132831	519341922	/nfs/dbraw/zinc/34/19/22/519341922.db2.gz	QDIUGJUTZKZFEV-BVEXFFHSSA-N	0	3	455.602	4.359	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F	ZINC000009270671	520648183	/nfs/dbraw/zinc/64/81/83/520648183.db2.gz	YKVCMEAACWMUMY-YDJIHCHBSA-N	0	3	475.358	4.352	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1	ZINC000009313128	520651554	/nfs/dbraw/zinc/65/15/54/520651554.db2.gz	RBRBTWICXYSCKU-IUKMQXEJSA-N	0	3	480.605	4.499	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1	ZINC000009313128	520651561	/nfs/dbraw/zinc/65/15/61/520651561.db2.gz	RBRBTWICXYSCKU-IUKMQXEJSA-N	0	3	480.605	4.499	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000020443485	520774555	/nfs/dbraw/zinc/77/45/55/520774555.db2.gz	YVMRSYLIUPGFQA-XMMPIXPASA-N	0	3	482.577	4.108	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccnc2)cc1	ZINC000009014341	520859843	/nfs/dbraw/zinc/85/98/43/520859843.db2.gz	GIUWHEBCPKBDFL-QHCPKHFHSA-N	0	3	451.567	4.181	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009186805	521234462	/nfs/dbraw/zinc/23/44/62/521234462.db2.gz	MUWSAHYPLPZUIT-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016734269	521267498	/nfs/dbraw/zinc/26/74/98/521267498.db2.gz	CUDVOPSVGNKLLP-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1C	ZINC000009046818	523553658	/nfs/dbraw/zinc/55/36/58/523553658.db2.gz	VPOBTMVTQHDLAD-OAQYLSRUSA-N	0	3	487.394	4.296	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)s1	ZINC000009176484	526688214	/nfs/dbraw/zinc/68/82/14/526688214.db2.gz	WZTZOPKEVNGHPV-QGZVFWFLSA-N	0	3	478.412	4.052	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000102860368	536561619	/nfs/dbraw/zinc/56/16/19/536561619.db2.gz	NILXCGKEVFGDJG-JBCNATCCSA-N	0	3	487.394	4.140	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102436342	536561736	/nfs/dbraw/zinc/56/17/36/536561736.db2.gz	FVUJBTDUYLXVFG-ZHHPLPSFSA-N	0	3	450.579	4.366	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000102695945	536565681	/nfs/dbraw/zinc/56/56/81/536565681.db2.gz	GXTADTJWOIRDSQ-AYWGPLOBSA-N	0	3	450.579	4.284	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000008818054	554701567	/nfs/dbraw/zinc/70/15/67/554701567.db2.gz	QZXDAKRSCGINOB-DEOSSOPVSA-N	0	3	474.605	4.470	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000008818054	554701568	/nfs/dbraw/zinc/70/15/68/554701568.db2.gz	QZXDAKRSCGINOB-DEOSSOPVSA-N	0	3	474.605	4.470	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Br)cc3)oc21	ZINC000008985872	554849037	/nfs/dbraw/zinc/84/90/37/554849037.db2.gz	FGIPUYZXPOAUGV-YDJIHCHBSA-N	0	3	499.361	4.187	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000019972613	555574427	/nfs/dbraw/zinc/57/44/27/555574427.db2.gz	OVSMYQYEYJNACU-XMMPIXPASA-N	0	3	482.577	4.028	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020057968	555621375	/nfs/dbraw/zinc/62/13/75/555621375.db2.gz	IHZMSQUOCCMQFL-XMMPIXPASA-N	0	3	450.579	4.486	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020057968	555621377	/nfs/dbraw/zinc/62/13/77/555621377.db2.gz	IHZMSQUOCCMQFL-XMMPIXPASA-N	0	3	450.579	4.486	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccncc1	ZINC000020065126	555624857	/nfs/dbraw/zinc/62/48/57/555624857.db2.gz	LFIVUKPBKPNOGH-DEOSSOPVSA-N	0	3	465.594	4.345	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020080151	555629081	/nfs/dbraw/zinc/62/90/81/555629081.db2.gz	WVGSHKLJYBKHJR-XMMPIXPASA-N	0	3	495.576	4.468	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000020134682	555659410	/nfs/dbraw/zinc/65/94/10/555659410.db2.gz	YGPTVZWEBNZFSG-DEOSSOPVSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020150016	555666066	/nfs/dbraw/zinc/66/60/66/555666066.db2.gz	PSIQQKRVWVXYJY-QFIPXVFZSA-N	0	3	463.490	4.261	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000020191947	555692938	/nfs/dbraw/zinc/69/29/38/555692938.db2.gz	IFFLKKZGIAIFAG-OAQYLSRUSA-N	0	3	491.371	4.295	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1cccc(F)c1	ZINC000020192990	555694043	/nfs/dbraw/zinc/69/40/43/555694043.db2.gz	CZCAVNMSZJPJDA-DEOSSOPVSA-N	0	3	476.552	4.240	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020230113	555720683	/nfs/dbraw/zinc/72/06/83/555720683.db2.gz	KXXUODSVCCEZMO-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020230111	555720691	/nfs/dbraw/zinc/72/06/91/555720691.db2.gz	KXXUODSVCCEZMO-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020263716	555746221	/nfs/dbraw/zinc/74/62/21/555746221.db2.gz	RAHYOHDADQPFHO-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(F)cc1	ZINC000020295175	555763535	/nfs/dbraw/zinc/76/35/35/555763535.db2.gz	IKHLKWMNJFWEDF-HJPURHCSSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(F)cc1	ZINC000020295175	555763538	/nfs/dbraw/zinc/76/35/38/555763538.db2.gz	IKHLKWMNJFWEDF-HJPURHCSSA-N	0	3	452.526	4.069	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020327286	555773628	/nfs/dbraw/zinc/77/36/28/555773628.db2.gz	RQAVDMOYMXSNOP-AFMDSPMNSA-N	0	3	490.600	4.495	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020330889	555775985	/nfs/dbraw/zinc/77/59/85/555775985.db2.gz	SNKRJLGNIHWLNT-AVRWGWEMSA-N	0	3	478.589	4.329	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1	ZINC000016805730	556161665	/nfs/dbraw/zinc/16/16/65/556161665.db2.gz	YVCZTUDPTFBLKJ-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1	ZINC000016805730	556161667	/nfs/dbraw/zinc/16/16/67/556161667.db2.gz	YVCZTUDPTFBLKJ-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1C	ZINC000017137929	556224071	/nfs/dbraw/zinc/22/40/71/556224071.db2.gz	FHAMTBXDPSRHTH-HSZRJFAPSA-N	0	3	451.567	4.099	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]13)CC2	ZINC000035361417	569682029	/nfs/dbraw/zinc/68/20/29/569682029.db2.gz	UCSAOIGRLWQSRE-GHITYCBJSA-N	0	3	455.595	4.150	50	30	biogenic	JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000101313543	569792172	/nfs/dbraw/zinc/79/21/72/569792172.db2.gz	QPJHYCVDRFWHPU-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102169044	569810378	/nfs/dbraw/zinc/81/03/78/569810378.db2.gz	ZBAFHWMRMFMXSQ-NXLSWJSLSA-N	0	3	495.576	4.311	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1	ZINC000102169224	569810389	/nfs/dbraw/zinc/81/03/89/569810389.db2.gz	HDNYSPBGIQWELB-NXLSWJSLSA-N	0	3	450.579	4.403	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)ccc1OCC(C)C	ZINC000102175585	569810861	/nfs/dbraw/zinc/81/08/61/569810861.db2.gz	WZTSXZKSMULPOH-MOBKVPTQSA-N	0	3	456.608	4.465	50	30		JIEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102865341	569825546	/nfs/dbraw/zinc/82/55/46/569825546.db2.gz	ARUYIKKIYHHZKI-ONDFOOFZSA-N	0	3	478.589	4.172	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)c(OC)c4)C[C@H](C)O)[C@H]3C[C@@H]12	ZINC000217492552	569880141	/nfs/dbraw/zinc/88/01/41/569880141.db2.gz	VTQVYQCKURGPRZ-WXCPSSGJSA-N	0	3	457.611	4.201	50	30	biogenic	JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1	ZINC000245325659	570064456	/nfs/dbraw/zinc/06/44/56/570064456.db2.gz	BUVWKEDQTSNVEB-ZJSXRUAMSA-N	0	3	472.626	4.431	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)CC1	ZINC000059415245	195399513	/nfs/dbraw/zinc/39/95/13/195399513.db2.gz	XVZKHNJQQWAJGA-RHPLFEGFSA-N	0	3	459.030	4.297	50	30	biogenic	JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000102523546	130176254	/nfs/dbraw/zinc/17/62/54/130176254.db2.gz	AKOQEMKJWDJISL-AYWGPLOBSA-N	0	3	481.549	4.064	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102555921	130206012	/nfs/dbraw/zinc/20/60/12/130206012.db2.gz	FLJARTPBZVJHPY-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1CCN(CC)CC	ZINC000102866223	130339602	/nfs/dbraw/zinc/33/96/02/130339602.db2.gz	FLMHOVRUKJTQLP-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1	ZINC000102867604	130340893	/nfs/dbraw/zinc/34/08/93/130340893.db2.gz	HHJFNABUEYLBKK-ZHHPLPSFSA-N	0	3	451.567	4.024	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1Cl	ZINC000102882445	130360811	/nfs/dbraw/zinc/36/08/11/130360811.db2.gz	DBYWOSPIJOKPFZ-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3cc(CN4CCCCC4)cs3)CC2)C1=O	ZINC000012211985	518604417	/nfs/dbraw/zinc/60/44/17/518604417.db2.gz	NUEGIRZSFDVNPW-RUZDIDTESA-N	0	3	458.672	4.223	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC=C)cc2)cc1	ZINC000009239985	519011686	/nfs/dbraw/zinc/01/16/86/519011686.db2.gz	WLHIZXOKDYJUGQ-NPJIAGGLSA-N	0	3	476.573	4.190	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCN(Cc3cccc(OC)c3)CC2)C1=O	ZINC000012208301	519340930	/nfs/dbraw/zinc/34/09/30/519340930.db2.gz	ZEBSUFUIHWKUQH-GDLZYMKVSA-N	0	3	473.617	4.244	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OC)cc1	ZINC000009334316	520647957	/nfs/dbraw/zinc/64/79/57/520647957.db2.gz	JHMDCTCQRWHHFV-AYWGPLOBSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000009328612	520651165	/nfs/dbraw/zinc/65/11/65/520651165.db2.gz	GDRQTKBBTFGKDM-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000009375131	520859589	/nfs/dbraw/zinc/85/95/89/520859589.db2.gz	YKCXRHXOIWXTFY-RUZDIDTESA-N	0	3	496.604	4.418	50	30		JIEAHN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020393431	520907811	/nfs/dbraw/zinc/90/78/11/520907811.db2.gz	FIWFUTNOMGKOPP-IQGLISFBSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1CCN(C)C	ZINC000020358324	521579127	/nfs/dbraw/zinc/57/91/27/521579127.db2.gz	CHWIVVYOELURHL-HSZRJFAPSA-N	0	3	452.551	4.012	50	30		JIEAHN
CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014748953	523717089	/nfs/dbraw/zinc/71/70/89/523717089.db2.gz	IBRPDALTGDGDIV-UHFFFAOYSA-N	0	3	495.623	4.391	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016731293	524052802	/nfs/dbraw/zinc/05/28/02/524052802.db2.gz	WTBCCONNFFJJTK-QHCPKHFHSA-N	0	3	454.542	4.317	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1	ZINC000009360099	525173514	/nfs/dbraw/zinc/17/35/14/525173514.db2.gz	SVAOBEAECKMDJV-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102727241	535416896	/nfs/dbraw/zinc/41/68/96/535416896.db2.gz	FXCHOTMCZGKUDB-JBCNATCCSA-N	0	3	487.394	4.221	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000102715352	535688035	/nfs/dbraw/zinc/68/80/35/535688035.db2.gz	GPCGVMSUBFIDGE-NPJIAGGLSA-N	0	3	496.604	4.260	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1	ZINC000102877588	536564024	/nfs/dbraw/zinc/56/40/24/536564024.db2.gz	APJSGRYAHNTKJO-MRJHHRETSA-N	0	3	487.394	4.140	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008837357	554738145	/nfs/dbraw/zinc/73/81/45/554738145.db2.gz	KVDCIPBIFGQCQB-MOBKVPTQSA-N	0	3	463.490	4.105	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000008914630	554807580	/nfs/dbraw/zinc/80/75/80/554807580.db2.gz	RBUSFFACJKVXQM-MRJHHRETSA-N	0	3	491.371	4.138	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000008914629	554807612	/nfs/dbraw/zinc/80/76/12/554807612.db2.gz	RBUSFFACJKVXQM-JBCNATCCSA-N	0	3	491.371	4.138	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)s1	ZINC000008921715	554818641	/nfs/dbraw/zinc/81/86/41/554818641.db2.gz	YPLLXSOPOYWPGJ-KRWDZBQOSA-N	0	3	478.412	4.052	50	30		JIEAHN
N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1	ZINC000008980303	554846610	/nfs/dbraw/zinc/84/66/10/554846610.db2.gz	GXZCXSHMSQLTBB-QFIPXVFZSA-N	0	3	455.562	4.439	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000008996383	554856894	/nfs/dbraw/zinc/85/68/94/554856894.db2.gz	HGLIMEMSQHMCBV-HSZRJFAPSA-N	0	3	450.579	4.441	50	30		JIEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000008996738	554857909	/nfs/dbraw/zinc/85/79/09/554857909.db2.gz	ZSGFGHQYVARSIF-XMMPIXPASA-N	0	3	482.577	4.021	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000019885639	555528676	/nfs/dbraw/zinc/52/86/76/555528676.db2.gz	ALLBAKYDVPVWBV-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020080155	555629118	/nfs/dbraw/zinc/62/91/18/555629118.db2.gz	WVGSHKLJYBKHJR-DEOSSOPVSA-N	0	3	495.576	4.468	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccnc1	ZINC000020129823	555655456	/nfs/dbraw/zinc/65/54/56/555655456.db2.gz	CILCKNAVYLKTDL-XMMPIXPASA-N	0	3	465.594	4.345	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccc(Cl)c1	ZINC000020219238	555713333	/nfs/dbraw/zinc/71/33/33/555713333.db2.gz	AVAZEOZTHRDDAC-JOCHJYFZSA-N	0	3	466.969	4.216	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccc(Cl)c1	ZINC000020219237	555713463	/nfs/dbraw/zinc/71/34/63/555713463.db2.gz	AVAZEOZTHRDDAC-QFIPXVFZSA-N	0	3	466.969	4.216	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(F)cc3)oc21	ZINC000020219192	555713485	/nfs/dbraw/zinc/71/34/85/555713485.db2.gz	OYDPWFDRSUQYOM-NRFANRHFSA-N	0	3	452.482	4.111	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000020219442	555714386	/nfs/dbraw/zinc/71/43/86/555714386.db2.gz	SFRHDZTXJXBFPL-QHCPKHFHSA-N	0	3	452.551	4.012	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000020219443	555714396	/nfs/dbraw/zinc/71/43/96/555714396.db2.gz	YNMHFDVQSIHFAP-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000020219443	555714399	/nfs/dbraw/zinc/71/43/99/555714399.db2.gz	YNMHFDVQSIHFAP-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccc(Cl)cc1	ZINC000020219810	555716120	/nfs/dbraw/zinc/71/61/20/555716120.db2.gz	CNOIWSPPWOZXBC-JOCHJYFZSA-N	0	3	466.969	4.216	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000020230000	555720639	/nfs/dbraw/zinc/72/06/39/555720639.db2.gz	MPSQZLAFFJOSJD-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000020230000	555720641	/nfs/dbraw/zinc/72/06/41/555720641.db2.gz	MPSQZLAFFJOSJD-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020230986	555721408	/nfs/dbraw/zinc/72/14/08/555721408.db2.gz	PFSICEWEXIEBQA-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000020265811	555747997	/nfs/dbraw/zinc/74/79/97/555747997.db2.gz	RQULDUQAOFYCDS-DEOSSOPVSA-N	0	3	495.620	4.462	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000020265811	555748000	/nfs/dbraw/zinc/74/80/00/555748000.db2.gz	RQULDUQAOFYCDS-DEOSSOPVSA-N	0	3	495.620	4.462	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020280660	555751500	/nfs/dbraw/zinc/75/15/00/555751500.db2.gz	UWNPUYYZIRDYDI-QFIPXVFZSA-N	0	3	472.607	4.466	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020330894	555775956	/nfs/dbraw/zinc/77/59/56/555775956.db2.gz	SNKRJLGNIHWLNT-CJAUYULYSA-N	0	3	478.589	4.329	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000024081335	556120307	/nfs/dbraw/zinc/12/03/07/556120307.db2.gz	XMGYDBGXGBGGLQ-DEOSSOPVSA-N	0	3	464.562	4.098	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016805779	556162097	/nfs/dbraw/zinc/16/20/97/556162097.db2.gz	GIPLJTCKBSKYID-DEOSSOPVSA-N	0	3	466.578	4.186	50	30		JIEAHN
N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1	ZINC000055414548	569591981	/nfs/dbraw/zinc/59/19/81/569591981.db2.gz	SHZVXTFSMPGJAZ-HSZRJFAPSA-N	0	3	469.589	4.435	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000101287139	569789236	/nfs/dbraw/zinc/78/92/36/569789236.db2.gz	SEOKYKINXWHSQU-NPJIAGGLSA-N	0	3	494.588	4.032	50	30		JIEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102865344	569825565	/nfs/dbraw/zinc/82/55/65/569825565.db2.gz	ARUYIKKIYHHZKI-YJBPAFNHSA-N	0	3	478.589	4.172	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)CC1CC1	ZINC000105004218	569849633	/nfs/dbraw/zinc/84/96/33/569849633.db2.gz	SESUEAZCWRMOHQ-GMAHTHKFSA-N	0	3	484.662	4.301	50	30		JIEAHN
COc1ccc(N2CCN(CCCNc3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1	ZINC000009933836	195025803	/nfs/dbraw/zinc/02/58/03/195025803.db2.gz	ISKAFZUZAGOSLM-UHFFFAOYSA-N	0	3	454.578	4.300	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1	ZINC000059415066	195399275	/nfs/dbraw/zinc/39/92/75/195399275.db2.gz	XVZKHNJQQWAJGA-HSJJXXALSA-N	0	3	459.030	4.297	50	30	biogenic	JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000102545666	130200697	/nfs/dbraw/zinc/20/06/97/130200697.db2.gz	JACHZLBPHHMBAT-NXLSWJSLSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102727247	130271559	/nfs/dbraw/zinc/27/15/59/130271559.db2.gz	FXCHOTMCZGKUDB-MRJHHRETSA-N	0	3	487.394	4.221	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)C)cc1	ZINC000102879579	130354888	/nfs/dbraw/zinc/35/48/88/130354888.db2.gz	OCWUCPIGVLWPBF-UVDRRRQGSA-N	0	3	474.605	4.448	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC	ZINC000036305819	518301886	/nfs/dbraw/zinc/30/18/86/518301886.db2.gz	VVAKLWUEPGMVDB-GMAHTHKFSA-N	0	3	477.605	4.499	50	30		JIEAHN
C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036307220	518309362	/nfs/dbraw/zinc/30/93/62/518309362.db2.gz	HVIXWZKPRJYROC-JOCHJYFZSA-N	0	3	451.542	4.241	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1	ZINC000036306903	518310753	/nfs/dbraw/zinc/31/07/53/518310753.db2.gz	VQYOOUMGOVUWIJ-JOCHJYFZSA-N	0	3	463.553	4.241	50	30		JIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3CC)CC1	ZINC000014732207	518642230	/nfs/dbraw/zinc/64/22/30/518642230.db2.gz	BZACFDHLGSCKLX-XMMPIXPASA-N	0	3	450.627	4.436	50	30		JIEAHN
C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cc(CC(C)C)[nH]n1)CC2	ZINC000011785105	518999821	/nfs/dbraw/zinc/99/98/21/518999821.db2.gz	OAKJEMDRWNTJNJ-FTJBHMTQSA-N	0	3	482.694	4.247	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000020228654	519018717	/nfs/dbraw/zinc/01/87/17/519018717.db2.gz	LFDFICLQILBUPR-JOCHJYFZSA-N	0	3	454.954	4.435	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009339476	519041486	/nfs/dbraw/zinc/04/14/86/519041486.db2.gz	WEHLYLFZECJVRW-ZHHPLPSFSA-N	0	3	452.526	4.154	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009339476	519041491	/nfs/dbraw/zinc/04/14/91/519041491.db2.gz	WEHLYLFZECJVRW-ZHHPLPSFSA-N	0	3	452.526	4.154	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009070520	519041656	/nfs/dbraw/zinc/04/16/56/519041656.db2.gz	POEPHFRNFFLLKT-NPJIAGGLSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009070520	519041663	/nfs/dbraw/zinc/04/16/63/519041663.db2.gz	POEPHFRNFFLLKT-NPJIAGGLSA-N	0	3	478.589	4.414	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(C)c(C)c3)CC2)C1=O	ZINC000012200319	519339516	/nfs/dbraw/zinc/33/95/16/519339516.db2.gz	CMUCLLYSKBGCCT-NDEPHWFRSA-N	0	3	461.581	4.211	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020441607	520421165	/nfs/dbraw/zinc/42/11/65/520421165.db2.gz	DLKIFKYVIQSLSM-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000009088260	520648420	/nfs/dbraw/zinc/64/84/20/520648420.db2.gz	KKPCUVYJXBEKRU-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(F)cc1	ZINC000009240251	520648722	/nfs/dbraw/zinc/64/87/22/520648722.db2.gz	SDFVUNAMOJMXJE-MOBKVPTQSA-N	0	3	466.509	4.344	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1OC	ZINC000020393874	520657664	/nfs/dbraw/zinc/65/76/64/520657664.db2.gz	LIUDSUBMKQJCEA-DEOSSOPVSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000020395119	520657875	/nfs/dbraw/zinc/65/78/75/520657875.db2.gz	OCOLOEYFMSNURV-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccnc1	ZINC000020358326	520660623	/nfs/dbraw/zinc/66/06/23/520660623.db2.gz	QKMYRCDMOGWUTH-HSZRJFAPSA-N	0	3	451.567	4.037	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000009350520	520781239	/nfs/dbraw/zinc/78/12/39/520781239.db2.gz	TYHLPZFMKHTQQI-IUKMQXEJSA-N	0	3	496.604	4.342	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000020029589	520783834	/nfs/dbraw/zinc/78/38/34/520783834.db2.gz	YEBLXNTYQOSGTJ-VWLOTQADSA-N	0	3	496.604	4.417	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1	ZINC000009009194	520856804	/nfs/dbraw/zinc/85/68/04/520856804.db2.gz	NRNHNOACIFUTDH-QHCPKHFHSA-N	0	3	452.551	4.101	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1Cl	ZINC000020168561	520876288	/nfs/dbraw/zinc/87/62/88/520876288.db2.gz	HEHHQCDXTFKAEB-OAQYLSRUSA-N	0	3	457.958	4.054	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016734271	521238417	/nfs/dbraw/zinc/23/84/17/521238417.db2.gz	CUDVOPSVGNKLLP-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016731013	521266433	/nfs/dbraw/zinc/26/64/33/521266433.db2.gz	JXHBXQVMXJLULW-QHCPKHFHSA-N	0	3	470.541	4.153	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)c(C)c1	ZINC000009274456	523554030	/nfs/dbraw/zinc/55/40/30/523554030.db2.gz	JCDYPEUWIWZDCZ-NRFANRHFSA-N	0	3	487.394	4.296	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009311948	524054320	/nfs/dbraw/zinc/05/43/20/524054320.db2.gz	CAYRJXZAOLWHDN-NXLSWJSLSA-N	0	3	478.589	4.129	50	30		JIEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009357471	524910986	/nfs/dbraw/zinc/91/09/86/524910986.db2.gz	YABFUKFKFUFNQI-VWLOTQADSA-N	0	3	496.604	4.269	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009068276	525388774	/nfs/dbraw/zinc/38/87/74/525388774.db2.gz	AIZPSDIHIZWTNV-DEOSSOPVSA-N	0	3	482.577	4.021	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)ccc1OCc1ccccc1	ZINC000009176934	526200021	/nfs/dbraw/zinc/20/00/21/526200021.db2.gz	LELFGBUJKLSGQE-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
CCOC(=O)[C@@H]1CCCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)C1	ZINC000006228105	554520324	/nfs/dbraw/zinc/52/03/24/554520324.db2.gz	HLRGOZJMESLHHD-WBVHZDCISA-N	0	3	476.396	4.024	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000008902863	554796846	/nfs/dbraw/zinc/79/68/46/554796846.db2.gz	JDNAMVRZEXJOTC-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Br)c3)oc21	ZINC000008921854	554818903	/nfs/dbraw/zinc/81/89/03/554818903.db2.gz	UTBSHOHXOILPIW-NHFXJNLRSA-N	0	3	499.361	4.187	50	30		JIEAHN
CN(C[C@@H](O)COc1cccc2ccccc21)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21	ZINC000008952323	554835799	/nfs/dbraw/zinc/83/57/99/554835799.db2.gz	NZWFCXYFICLASO-DCDPXAEJSA-N	0	3	479.617	4.038	50	30	biogenic	JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000008986188	554849248	/nfs/dbraw/zinc/84/92/48/554849248.db2.gz	YWKYWJZKKABBGG-NPJIAGGLSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000013427145	555399995	/nfs/dbraw/zinc/39/99/95/555399995.db2.gz	VRFQDPQXFSMLFI-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019884051	555528027	/nfs/dbraw/zinc/52/80/27/555528027.db2.gz	MWVDEMGWPYEUED-HXUWFJFHSA-N	0	3	457.368	4.288	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000019885617	555528857	/nfs/dbraw/zinc/52/88/57/555528857.db2.gz	FTVOCGWGRFASGZ-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1	ZINC000019938374	555556208	/nfs/dbraw/zinc/55/62/08/555556208.db2.gz	VNOKSFJNAYUJFX-AREMUKBSSA-N	0	3	486.568	4.414	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1	ZINC000020029562	555604885	/nfs/dbraw/zinc/60/48/85/555604885.db2.gz	LGGMAADGYYNWDD-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1	ZINC000020029562	555604886	/nfs/dbraw/zinc/60/48/86/555604886.db2.gz	LGGMAADGYYNWDD-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1OC	ZINC000020171516	555680873	/nfs/dbraw/zinc/68/08/73/555680873.db2.gz	HZRMOMNRMWLTOI-XMMPIXPASA-N	0	3	466.578	4.357	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020228906	555719555	/nfs/dbraw/zinc/71/95/55/555719555.db2.gz	XGCZYZZRVAMNJF-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020231420	555721373	/nfs/dbraw/zinc/72/13/73/555721373.db2.gz	FPKUTBVPALYRJH-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020232997	555723696	/nfs/dbraw/zinc/72/36/96/555723696.db2.gz	SXSXXQIAQDYEMQ-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)c(C)c1	ZINC000024080842	556119491	/nfs/dbraw/zinc/11/94/91/556119491.db2.gz	FFONVVSDWICTNQ-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000016805648	556161620	/nfs/dbraw/zinc/16/16/20/556161620.db2.gz	OPDCWMANXOSYFL-VWLOTQADSA-N	0	3	494.588	4.107	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1	ZINC000016805788	556162022	/nfs/dbraw/zinc/16/20/22/556162022.db2.gz	IAWXVFYSLGGLJI-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1	ZINC000016805788	556162025	/nfs/dbraw/zinc/16/20/25/556162025.db2.gz	IAWXVFYSLGGLJI-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)c(C)c1	ZINC000017181097	556235189	/nfs/dbraw/zinc/23/51/89/556235189.db2.gz	NEUCKWYNOLTQEU-XMMPIXPASA-N	0	3	466.578	4.410	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000019805441	556379532	/nfs/dbraw/zinc/37/95/32/556379532.db2.gz	ISQQVXZORYPPCJ-JOCHJYFZSA-N	0	3	455.986	4.326	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)CC1	ZINC000061997581	569609752	/nfs/dbraw/zinc/60/97/52/569609752.db2.gz	GIBRBGJBXZRMRN-VBYMOQCZSA-N	0	3	459.030	4.296	50	30	biogenic	JIEAHN
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000082051314	569707948	/nfs/dbraw/zinc/70/79/48/569707948.db2.gz	ZUVFLFLCXSNTLA-ACSKOSHFSA-N	0	3	460.014	4.150	50	30	biogenic	JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000101287144	569789341	/nfs/dbraw/zinc/78/93/41/569789341.db2.gz	SEOKYKINXWHSQU-IUKMQXEJSA-N	0	3	494.588	4.032	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000101287623	569789537	/nfs/dbraw/zinc/78/95/37/569789537.db2.gz	WUOJUTMXNRPAPO-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000102863446	569825464	/nfs/dbraw/zinc/82/54/64/569825464.db2.gz	LSEZRPDSAYHDNP-NPJIAGGLSA-N	0	3	496.604	4.262	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1C	ZINC000102928251	569827262	/nfs/dbraw/zinc/82/72/62/569827262.db2.gz	JFMUBDYXDAWJAB-SBXHHDGASA-N	0	3	465.594	4.332	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC	ZINC000105003175	569849174	/nfs/dbraw/zinc/84/91/74/569849174.db2.gz	VVAKLWUEPGMVDB-FYYLOGMGSA-N	0	3	477.605	4.499	50	30		JIEAHN
C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1	ZINC000245329289	570066288	/nfs/dbraw/zinc/06/62/88/570066288.db2.gz	SRTBBWJEYAAKDI-NZQKXSOJSA-N	0	3	460.615	4.431	50	30		JIEAHN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3[C@H]3O[C@@]312	ZINC000012882645	195169180	/nfs/dbraw/zinc/16/91/80/195169180.db2.gz	XTMOUXNONBYIGC-GVOACYSPSA-N	0	3	460.014	4.149	50	30	biogenic	JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000102534787	130189376	/nfs/dbraw/zinc/18/93/76/130189376.db2.gz	RPARSKCLAMWJQV-YDJIHCHBSA-N	0	3	455.624	4.431	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1	ZINC000102560984	130209052	/nfs/dbraw/zinc/20/90/52/130209052.db2.gz	CQQSZHLZPMHKMM-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000102865973	130338846	/nfs/dbraw/zinc/33/88/46/130338846.db2.gz	KGJGBQXKSKKGQT-NPJIAGGLSA-N	0	3	496.604	4.343	50	30		JIEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)s1	ZINC000102878676	130352663	/nfs/dbraw/zinc/35/26/63/130352663.db2.gz	IRZVPDZWHCJUOI-GROYHEBESA-N	0	3	468.406	4.440	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000102926067	130397092	/nfs/dbraw/zinc/39/70/92/130397092.db2.gz	UVDYNYQJJOZQLL-IUKMQXEJSA-N	0	3	496.604	4.262	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C	ZINC000036307405	518299576	/nfs/dbraw/zinc/29/95/76/518299576.db2.gz	XCKCANSGXRVSAD-QHCPKHFHSA-N	0	3	465.569	4.487	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C	ZINC000036306792	518310853	/nfs/dbraw/zinc/31/08/53/518310853.db2.gz	OMMRVBONIKXISQ-OAQYLSRUSA-N	0	3	451.542	4.240	50	30		JIEAHN
C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1ccc(OC)cc1F)CC2	ZINC000011881370	518999181	/nfs/dbraw/zinc/99/91/81/518999181.db2.gz	NRVVGIPHCFWNNO-FTJBHMTQSA-N	0	3	484.637	4.473	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009069075	519009149	/nfs/dbraw/zinc/00/91/49/519009149.db2.gz	WYLBRJIPJLHMSF-HOGKFDNTSA-N	0	3	454.954	4.278	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000016247311	519043731	/nfs/dbraw/zinc/04/37/31/519043731.db2.gz	QWBZLWFHGFNLAM-JOCHJYFZSA-N	0	3	470.591	4.242	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000009067733	520325427	/nfs/dbraw/zinc/32/54/27/520325427.db2.gz	ZCVJKBYTXXCGTE-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1	ZINC000009359643	520329323	/nfs/dbraw/zinc/32/93/23/520329323.db2.gz	RRMKLRJOOHZCKF-QHCPKHFHSA-N	0	3	452.551	4.101	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1	ZINC000009359643	520329331	/nfs/dbraw/zinc/32/93/31/520329331.db2.gz	RRMKLRJOOHZCKF-QHCPKHFHSA-N	0	3	452.551	4.101	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000008914664	520651310	/nfs/dbraw/zinc/65/13/10/520651310.db2.gz	UQSDRUDHRRXHCJ-SBXHHDGASA-N	0	3	494.588	4.024	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(Br)c1	ZINC000009045774	520654457	/nfs/dbraw/zinc/65/44/57/520654457.db2.gz	YYCCKVYEOWXJMQ-GHNGSUTGSA-N	0	3	492.439	4.286	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)cc1OC	ZINC000020102122	520654695	/nfs/dbraw/zinc/65/46/95/520654695.db2.gz	RUFVWHPMERHXFX-XVUVRGGJSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000021554908	520782059	/nfs/dbraw/zinc/78/20/59/520782059.db2.gz	QNLFRNJVVZXGLM-QHCPKHFHSA-N	0	3	494.544	4.076	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000020437625	520782590	/nfs/dbraw/zinc/78/25/90/520782590.db2.gz	DZOOTESFOVSBFK-VWLOTQADSA-N	0	3	496.604	4.498	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000009328275	520856829	/nfs/dbraw/zinc/85/68/29/520856829.db2.gz	DQRQPRHCDVXWTD-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1	ZINC000009411530	520860745	/nfs/dbraw/zinc/86/07/45/520860745.db2.gz	OMXYYTUXASIXPY-DEOSSOPVSA-N	0	3	466.578	4.491	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)cc2)cc1	ZINC000009411530	520860756	/nfs/dbraw/zinc/86/07/56/520860756.db2.gz	OMXYYTUXASIXPY-DEOSSOPVSA-N	0	3	466.578	4.491	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Br)cc1	ZINC000009042206	521756095	/nfs/dbraw/zinc/75/60/95/521756095.db2.gz	ULHFHWBAUBHTJR-YDJIHCHBSA-N	0	3	469.335	4.179	50	30		JIEAHN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000009334053	522918796	/nfs/dbraw/zinc/91/87/96/522918796.db2.gz	BOBKWELIDPSVDG-RUZDIDTESA-N	0	3	496.604	4.274	50	30	biogenic	JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(O)cc1	ZINC000009312506	525367337	/nfs/dbraw/zinc/36/73/37/525367337.db2.gz	YBWPNYZDCBHARM-XMMPIXPASA-N	0	3	466.578	4.265	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000009350818	525389272	/nfs/dbraw/zinc/38/92/72/525389272.db2.gz	NDFHAQWSELDPGI-VWLOTQADSA-N	0	3	496.604	4.269	50	30		JIEAHN
C=C(C)COc1ccc2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1	ZINC000008877031	554772247	/nfs/dbraw/zinc/77/22/47/554772247.db2.gz	LOPNDILTMIBPEJ-UHFFFAOYSA-N	0	3	460.574	4.380	50	30	biogenic	JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1OC	ZINC000008899214	554790010	/nfs/dbraw/zinc/79/00/10/554790010.db2.gz	KRFKAYPZWQUTTD-NXLSWJSLSA-N	0	3	466.578	4.201	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000008984153	554848213	/nfs/dbraw/zinc/84/82/13/554848213.db2.gz	OHNRHVBJBMGEPX-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000019885518	555528658	/nfs/dbraw/zinc/52/86/58/555528658.db2.gz	XLZSEKPOTPKRME-RUZDIDTESA-N	0	3	479.621	4.380	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000019928941	555545033	/nfs/dbraw/zinc/54/50/33/555545033.db2.gz	PUKHMCPEUXDAEL-XMMPIXPASA-N	0	3	464.562	4.098	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938442	555556070	/nfs/dbraw/zinc/55/60/70/555556070.db2.gz	YMXHMUCKUKHMIO-BVZFJXPGSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938442	555556074	/nfs/dbraw/zinc/55/60/74/555556074.db2.gz	YMXHMUCKUKHMIO-BVZFJXPGSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019938500	555556615	/nfs/dbraw/zinc/55/66/15/555556615.db2.gz	JFCIWKJBZOPBCN-VWLOTQADSA-N	0	3	494.588	4.167	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020064745	555624746	/nfs/dbraw/zinc/62/47/46/555624746.db2.gz	KKXASHGWEYFAOG-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020064745	555624749	/nfs/dbraw/zinc/62/47/49/555624749.db2.gz	KKXASHGWEYFAOG-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020132115	555656822	/nfs/dbraw/zinc/65/68/22/555656822.db2.gz	WOHJFQHVGSWJNT-JOCHJYFZSA-N	0	3	463.490	4.261	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1	ZINC000020133026	555657363	/nfs/dbraw/zinc/65/73/63/555657363.db2.gz	SAQQPOHVEIJYJD-HXUWFJFHSA-N	0	3	469.335	4.335	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC)c1OC	ZINC000020133461	555657631	/nfs/dbraw/zinc/65/76/31/555657631.db2.gz	MOONCVIZTHKLFH-QHCPKHFHSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Br)cc1	ZINC000020149916	555665783	/nfs/dbraw/zinc/66/57/83/555665783.db2.gz	YNGULZWWJIGHET-SFHVURJKSA-N	0	3	492.439	4.443	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1OC	ZINC000020219850	555716165	/nfs/dbraw/zinc/71/61/65/555716165.db2.gz	ORTAJOREAAMYKF-HSZRJFAPSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020263948	555746085	/nfs/dbraw/zinc/74/60/85/555746085.db2.gz	RMMCQCQOASAKPK-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000016713815	556154841	/nfs/dbraw/zinc/15/48/41/556154841.db2.gz	KSANYPSFQJKAPO-QHCPKHFHSA-N	0	3	481.549	4.078	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000017146294	556226352	/nfs/dbraw/zinc/22/63/52/556226352.db2.gz	LNWMYCJBCBIXFX-FQEVSTJZSA-N	0	3	457.914	4.168	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1	ZINC000019771725	556368872	/nfs/dbraw/zinc/36/88/72/556368872.db2.gz	AJXCNSUVDNPYMS-OAQYLSRUSA-N	0	3	487.394	4.378	50	30		JIEAHN
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000061997537	569609795	/nfs/dbraw/zinc/60/97/95/569609795.db2.gz	FQIIHRRVNVYASB-KAVBHCITSA-N	0	3	478.555	4.354	50	30	biogenic	JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000101313546	569792207	/nfs/dbraw/zinc/79/22/07/569792207.db2.gz	QPJHYCVDRFWHPU-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccs1	ZINC000102169307	569810457	/nfs/dbraw/zinc/81/04/57/569810457.db2.gz	COBAUMVAVDNXTO-HOGKFDNTSA-N	0	3	456.608	4.465	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1	ZINC000102169229	569810445	/nfs/dbraw/zinc/81/04/45/569810445.db2.gz	HDNYSPBGIQWELB-SBXHHDGASA-N	0	3	450.579	4.403	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@H]4CCO)[C@H]3C[C@@H]12	ZINC000252694789	570094910	/nfs/dbraw/zinc/09/49/10/570094910.db2.gz	QAVKKTGTMMWWSF-LAOJUJNJSA-N	0	3	469.622	4.300	50	30		JIEAHN
COCc1nccc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1	ZINC000058174846	195371894	/nfs/dbraw/zinc/37/18/94/195371894.db2.gz	KIABQCCNKUEZKI-QGZVFWFLSA-N	0	3	453.612	4.033	50	30		JIEAHN
C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCN(c6cccc(C(F)(F)F)c6)CC5)[C@H]4C[C@@]13O2	ZINC000059409632	195399071	/nfs/dbraw/zinc/39/90/71/195399071.db2.gz	VAHQZWVSRMRMDP-GNKWMNRNSA-N	0	3	478.555	4.497	50	30	biogenic	JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102511100	130164898	/nfs/dbraw/zinc/16/48/98/130164898.db2.gz	QQSPHTSHFSPCPG-GOBJLOIFSA-N	0	3	457.914	4.012	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102542530	130198669	/nfs/dbraw/zinc/19/86/69/130198669.db2.gz	PIWHUXFQWJXZQN-NXLSWJSLSA-N	0	3	495.576	4.456	50	30		JIEAHN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102549771	130202714	/nfs/dbraw/zinc/20/27/14/130202714.db2.gz	NHEVPMVVLMAKBN-NPJIAGGLSA-N	0	3	494.588	4.010	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1	ZINC000102858413	130328881	/nfs/dbraw/zinc/32/88/81/130328881.db2.gz	YNUISYBVTIBNIU-CZNAVJSXSA-N	0	3	486.568	4.263	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102880471	130356289	/nfs/dbraw/zinc/35/62/89/130356289.db2.gz	JSLLPEJQXDJOAC-UVDRRRQGSA-N	0	3	495.620	4.305	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102880471	130356295	/nfs/dbraw/zinc/35/62/95/130356295.db2.gz	JSLLPEJQXDJOAC-UVDRRRQGSA-N	0	3	495.620	4.305	50	30		JIEAHN
C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036309338	518722529	/nfs/dbraw/zinc/72/25/29/518722529.db2.gz	XLKUXNFBRRZDCC-UNMCSNQZSA-N	0	3	472.651	4.301	50	30		JIEAHN
C=CCC[C@H](O)CN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155298	518723866	/nfs/dbraw/zinc/72/38/66/518723866.db2.gz	PCLATKAGWKNKOD-NRFANRHFSA-N	0	3	467.566	4.134	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009069089	519011500	/nfs/dbraw/zinc/01/15/00/519011500.db2.gz	WYLBRJIPJLHMSF-MOBKVPTQSA-N	0	3	454.954	4.278	50	30		JIEAHN
C=CCOc1ccccc1CN1CCC([C@]2(CC)NC(=O)N(CCc3scnc3C)C2=O)CC1	ZINC000012190487	519071203	/nfs/dbraw/zinc/07/12/03/519071203.db2.gz	PYCOKDWRYGEYTC-SANMLTNESA-N	0	3	482.650	4.172	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009275776	520648300	/nfs/dbraw/zinc/64/83/00/520648300.db2.gz	ICFLVRRRELVPLO-HOGKFDNTSA-N	0	3	463.490	4.105	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009350537	520650728	/nfs/dbraw/zinc/65/07/28/520650728.db2.gz	KRLNIJYPSORGDW-ZHHPLPSFSA-N	0	3	481.549	4.146	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1	ZINC000009437110	520655197	/nfs/dbraw/zinc/65/51/97/520655197.db2.gz	JWRWEFRDXJBYPD-CJJGVWJISA-N	0	3	485.584	4.424	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000009353244	520856985	/nfs/dbraw/zinc/85/69/85/520856985.db2.gz	PQLXOYFLKBLVQD-RUZDIDTESA-N	0	3	496.604	4.418	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009359101	520857953	/nfs/dbraw/zinc/85/79/53/520857953.db2.gz	STZKFFOXTLEQSR-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009358846	520857992	/nfs/dbraw/zinc/85/79/92/520857992.db2.gz	MGVALWJBXOJGQK-DEOSSOPVSA-N	0	3	482.577	4.110	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009184999	521233151	/nfs/dbraw/zinc/23/31/51/521233151.db2.gz	AMHFRWHIWYLKCF-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009184999	521233161	/nfs/dbraw/zinc/23/31/61/521233161.db2.gz	AMHFRWHIWYLKCF-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009413501	524803249	/nfs/dbraw/zinc/80/32/49/524803249.db2.gz	HOUBGAWFWHFRMS-DEOSSOPVSA-N	0	3	466.578	4.260	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000009350819	525221520	/nfs/dbraw/zinc/22/15/20/525221520.db2.gz	NDFHAQWSELDPGI-RUZDIDTESA-N	0	3	496.604	4.269	50	30		JIEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009185060	525786224	/nfs/dbraw/zinc/78/62/24/525786224.db2.gz	ITGRQPRIFMSSLM-YDJIHCHBSA-N	0	3	457.368	4.131	50	30		JIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1	ZINC000009042357	526020812	/nfs/dbraw/zinc/02/08/12/526020812.db2.gz	WJYYCEDAGAWNFB-FQEVSTJZSA-N	0	3	457.368	4.288	50	30		JIEAHN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)ccc1OCc1ccccc1	ZINC000004042845	526198317	/nfs/dbraw/zinc/19/83/17/526198317.db2.gz	KAWZYBYQVFFWKB-VWLOTQADSA-N	0	3	471.557	4.109	50	30		JIEAHN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)ccc1OCc1ccccc1	ZINC000004042849	526198819	/nfs/dbraw/zinc/19/88/19/526198819.db2.gz	KAWZYBYQVFFWKB-RUZDIDTESA-N	0	3	471.557	4.109	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)c(C)c1	ZINC000102483887	536560904	/nfs/dbraw/zinc/56/09/04/536560904.db2.gz	KYAVYLWXUFUMEC-JBCNATCCSA-N	0	3	487.394	4.140	50	30		JIEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1	ZINC000002445732	554212639	/nfs/dbraw/zinc/21/26/39/554212639.db2.gz	KNSMZPRPPITINS-QHCPKHFHSA-N	0	3	463.541	4.307	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1	ZINC000008921204	554817815	/nfs/dbraw/zinc/81/78/15/554817815.db2.gz	LSXDPMDLSNPBSE-NRFANRHFSA-N	0	3	487.394	4.296	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)cc1C	ZINC000019928729	555544327	/nfs/dbraw/zinc/54/43/27/555544327.db2.gz	GHZJAHWMPGWUDJ-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019938503	555556527	/nfs/dbraw/zinc/55/65/27/555556527.db2.gz	CBUCKVOEBHIPQJ-AVRWGWEMSA-N	0	3	476.573	4.105	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)=C(O)C(=O)N1CCN(CC)CC	ZINC000020100552	555633454	/nfs/dbraw/zinc/63/34/54/555633454.db2.gz	CSEUIHJFBIYWNR-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000020100992	555633783	/nfs/dbraw/zinc/63/37/83/555633783.db2.gz	LVZFJBKENBAQAC-RUZDIDTESA-N	0	3	496.604	4.274	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000020219444	555714326	/nfs/dbraw/zinc/71/43/26/555714326.db2.gz	YNMHFDVQSIHFAP-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000020219444	555714329	/nfs/dbraw/zinc/71/43/29/555714329.db2.gz	YNMHFDVQSIHFAP-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C)o1	ZINC000020219846	555716177	/nfs/dbraw/zinc/71/61/77/555716177.db2.gz	OHLVQHGLLKKREM-OAQYLSRUSA-N	0	3	452.507	4.263	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(OC)c2)cc1	ZINC000016734462	556155641	/nfs/dbraw/zinc/15/56/41/556155641.db2.gz	LCMVSQUIYPSNGA-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c(C)c1	ZINC000017137771	556224085	/nfs/dbraw/zinc/22/40/85/556224085.db2.gz	PANANUROZASJPJ-QHCPKHFHSA-N	0	3	451.567	4.099	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000100191089	569755049	/nfs/dbraw/zinc/75/50/49/569755049.db2.gz	MEANUSHOWRHWFF-FHWWYNCCSA-N	0	3	464.562	4.024	50	30		JIEAHN
C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F	ZINC000036316156	569762074	/nfs/dbraw/zinc/76/20/74/569762074.db2.gz	ASDJVEPCHYCASL-NRFANRHFSA-N	0	3	469.532	4.380	50	30		JIEAHN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102856875	569824571	/nfs/dbraw/zinc/82/45/71/569824571.db2.gz	FHXCECOEYSRUIB-CBLITQMPSA-N	0	3	454.954	4.037	50	30		JIEAHN
C[C@@H]1CC[C@@H]2[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13	ZINC000253487555	570099864	/nfs/dbraw/zinc/09/98/64/570099864.db2.gz	LSDFDNALGJDQTF-KCTOCKSFSA-N	0	3	478.555	4.353	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009186806	124044476	/nfs/dbraw/zinc/04/44/76/124044476.db2.gz	MUWSAHYPLPZUIT-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102491422	130145221	/nfs/dbraw/zinc/14/52/21/130145221.db2.gz	CHDRUHNPCJYPGH-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102511106	130164904	/nfs/dbraw/zinc/16/49/04/130164904.db2.gz	QQSPHTSHFSPCPG-LCPUNJGISA-N	0	3	457.914	4.012	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccnc2)cc1C	ZINC000102864474	130336009	/nfs/dbraw/zinc/33/60/09/130336009.db2.gz	PYTWKKLQEQRXKN-SBXHHDGASA-N	0	3	465.594	4.332	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102874191	130346161	/nfs/dbraw/zinc/34/61/61/130346161.db2.gz	ORDAOKPAQSHWKL-PGVNHDJNSA-N	0	3	487.387	4.323	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102896089	130377845	/nfs/dbraw/zinc/37/78/45/130377845.db2.gz	PTXWGCVDUSXEFX-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C	ZINC000036306790	518300506	/nfs/dbraw/zinc/30/05/06/518300506.db2.gz	OMMRVBONIKXISQ-NRFANRHFSA-N	0	3	451.542	4.240	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@H](C)CC	ZINC000036306175	518300558	/nfs/dbraw/zinc/30/05/58/518300558.db2.gz	CNXMCJQHRYEAOT-GGAORHGYSA-N	0	3	477.605	4.499	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C	ZINC000036302409	518304005	/nfs/dbraw/zinc/30/40/05/518304005.db2.gz	PRWDORRASRTROA-DEOSSOPVSA-N	0	3	477.605	4.450	50	30		JIEAHN
C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1	ZINC000036309625	518722775	/nfs/dbraw/zinc/72/27/75/518722775.db2.gz	SRTBBWJEYAAKDI-REWPJTCUSA-N	0	3	460.615	4.431	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000009041749	519011920	/nfs/dbraw/zinc/01/19/20/519011920.db2.gz	NYFUAXRVYNHVED-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(F)c2)cc1	ZINC000016733129	519019779	/nfs/dbraw/zinc/01/97/79/519019779.db2.gz	PMBUYKMWXATDBV-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1	ZINC000016733135	519020625	/nfs/dbraw/zinc/02/06/25/519020625.db2.gz	VTZINQSKBJMNPC-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1	ZINC000016733135	519020635	/nfs/dbraw/zinc/02/06/35/519020635.db2.gz	VTZINQSKBJMNPC-QHCPKHFHSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000016735792	519040847	/nfs/dbraw/zinc/04/08/47/519040847.db2.gz	CCWRYUKGEZCMOS-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009301862	519041994	/nfs/dbraw/zinc/04/19/94/519041994.db2.gz	ATXKLCGCHWRURO-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009301862	519042001	/nfs/dbraw/zinc/04/20/01/519042001.db2.gz	ATXKLCGCHWRURO-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000016734113	519047213	/nfs/dbraw/zinc/04/72/13/519047213.db2.gz	PESFHBZUYCFSPP-QHCPKHFHSA-N	0	3	484.980	4.443	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020193405	519059805	/nfs/dbraw/zinc/05/98/05/519059805.db2.gz	REZVSQGTWUBDLO-JOCHJYFZSA-N	0	3	454.954	4.435	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009329090	520328364	/nfs/dbraw/zinc/32/83/64/520328364.db2.gz	MTUYQPRQDVYUNO-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009271684	520648950	/nfs/dbraw/zinc/64/89/50/520648950.db2.gz	HUDIIXCIGJNKDG-MOBKVPTQSA-N	0	3	493.516	4.113	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000009354455	520858681	/nfs/dbraw/zinc/85/86/81/520858681.db2.gz	XMXDSMAWVYIKBM-DEOSSOPVSA-N	0	3	482.577	4.028	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1	ZINC000020444056	521756250	/nfs/dbraw/zinc/75/62/50/521756250.db2.gz	ZUABYPJUEGZFPQ-RUZDIDTESA-N	0	3	472.541	4.111	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000009173102	524054016	/nfs/dbraw/zinc/05/40/16/524054016.db2.gz	GYXCLMCNUMVUQU-LFVOPCPISA-N	0	3	477.786	4.476	50	30		JIEAHN
N#CCn1c(CN2CCN(Cc3cccc4ccccc43)CC2)nc2sc3c(c2c1=O)CCCC3	ZINC000022804241	526486909	/nfs/dbraw/zinc/48/69/09/526486909.db2.gz	IQGYXLLDXMFWLI-UHFFFAOYSA-N	0	3	483.641	4.331	50	30		JIEAHN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102601424	535093099	/nfs/dbraw/zinc/09/30/99/535093099.db2.gz	HWWQTJPKLFANAU-IUKMQXEJSA-N	0	3	494.588	4.010	50	30		JIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102717323	535373726	/nfs/dbraw/zinc/37/37/26/535373726.db2.gz	ZEUZOVATSPSBNL-NPJIAGGLSA-N	0	3	487.556	4.290	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000102860365	536564471	/nfs/dbraw/zinc/56/44/71/536564471.db2.gz	NILXCGKEVFGDJG-MRJHHRETSA-N	0	3	487.394	4.140	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1	ZINC000008741025	554643222	/nfs/dbraw/zinc/64/32/22/554643222.db2.gz	ZMPFIKAVDGVLRM-WOOAAIBNSA-N	0	3	477.786	4.476	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(O)c3)cc2)c1	ZINC000008743733	554646628	/nfs/dbraw/zinc/64/66/28/554646628.db2.gz	SHVNPDLHNQUHPJ-AREMUKBSSA-N	0	3	486.568	4.420	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccnc1	ZINC000008818399	554702220	/nfs/dbraw/zinc/70/22/20/554702220.db2.gz	HMOJGTARICOGSB-VWLOTQADSA-N	0	3	471.557	4.109	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccnc2)cc1C	ZINC000008818408	554702233	/nfs/dbraw/zinc/70/22/33/554702233.db2.gz	YQMOGWURJRGGGN-DEOSSOPVSA-N	0	3	465.594	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1	ZINC000008905061	554799306	/nfs/dbraw/zinc/79/93/06/554799306.db2.gz	SCCUFAJCEZHUFP-HOGKFDNTSA-N	0	3	499.405	4.387	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccs1	ZINC000008983330	554847506	/nfs/dbraw/zinc/84/75/06/554847506.db2.gz	UFTHBAYLJUTQTJ-NHFXJNLRSA-N	0	3	454.548	4.266	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000013552191	555492504	/nfs/dbraw/zinc/49/25/04/555492504.db2.gz	YBERLEYCGKUKAN-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000013552191	555492505	/nfs/dbraw/zinc/49/25/05/555492505.db2.gz	YBERLEYCGKUKAN-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1	ZINC000020133023	555657379	/nfs/dbraw/zinc/65/73/79/555657379.db2.gz	SAQQPOHVEIJYJD-FQEVSTJZSA-N	0	3	469.335	4.335	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC)c1OC	ZINC000020133464	555657613	/nfs/dbraw/zinc/65/76/13/555657613.db2.gz	MOONCVIZTHKLFH-HSZRJFAPSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Br)c1	ZINC000020135390	555660060	/nfs/dbraw/zinc/66/00/60/555660060.db2.gz	RERHRWUGIABRCD-SFHVURJKSA-N	0	3	463.397	4.431	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020150093	555666047	/nfs/dbraw/zinc/66/60/47/555666047.db2.gz	SSZAGRFWSZTZSV-VWLOTQADSA-N	0	3	488.588	4.109	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Br)cc1	ZINC000020171189	555680715	/nfs/dbraw/zinc/68/07/15/555680715.db2.gz	ASZJASLPKOUCOI-GOSISDBHSA-N	0	3	463.397	4.431	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1	ZINC000020188895	555690559	/nfs/dbraw/zinc/69/05/59/555690559.db2.gz	DRIFINPPLLHONK-OAQYLSRUSA-N	0	3	487.394	4.378	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1	ZINC000020188895	555690561	/nfs/dbraw/zinc/69/05/61/555690561.db2.gz	DRIFINPPLLHONK-OAQYLSRUSA-N	0	3	487.394	4.378	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1OC	ZINC000020188935	555690818	/nfs/dbraw/zinc/69/08/18/555690818.db2.gz	UZKJQDIKRKGHGW-NRFANRHFSA-N	0	3	472.969	4.277	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(F)c3)oc21	ZINC000020219187	555713502	/nfs/dbraw/zinc/71/35/02/555713502.db2.gz	VLXZQMROSFDQEG-OAQYLSRUSA-N	0	3	452.482	4.111	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020230252	555720634	/nfs/dbraw/zinc/72/06/34/555720634.db2.gz	KBJZWZZBEHIMHW-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020230252	555720636	/nfs/dbraw/zinc/72/06/36/555720636.db2.gz	KBJZWZZBEHIMHW-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020232992	555723726	/nfs/dbraw/zinc/72/37/26/555723726.db2.gz	SXSXXQIAQDYEMQ-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000024081390	556120573	/nfs/dbraw/zinc/12/05/73/556120573.db2.gz	HZVIMHWDNPKMQQ-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000016805732	556161606	/nfs/dbraw/zinc/16/16/06/556161606.db2.gz	YVCZTUDPTFBLKJ-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000016805732	556161609	/nfs/dbraw/zinc/16/16/09/556161609.db2.gz	YVCZTUDPTFBLKJ-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)ccc1OCC(C)C	ZINC000017147578	556226666	/nfs/dbraw/zinc/22/66/66/556226666.db2.gz	KTYRDWZFNLXDJE-XMMPIXPASA-N	0	3	466.578	4.265	50	30	biogenic	JIEAHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000097984260	569748460	/nfs/dbraw/zinc/74/84/60/569748460.db2.gz	CDFAQIZRLYQCEQ-RRUGBERISA-N	0	3	476.339	4.324	50	30		JIEAHN
C=CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C	ZINC000036313076	569760581	/nfs/dbraw/zinc/76/05/81/569760581.db2.gz	JIOSROFBRKDSSN-GGAORHGYSA-N	0	3	457.615	4.122	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000101287800	569789706	/nfs/dbraw/zinc/78/97/06/569789706.db2.gz	RWFIHOZNXYTVHO-HOGKFDNTSA-N	0	3	454.954	4.278	50	30		JIEAHN
C=CCn1c(SCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)nc2sc(C)c(C)c2c1=O	ZINC000012608660	195052931	/nfs/dbraw/zinc/05/29/31/195052931.db2.gz	MBJQKWINTNZRJS-UHFFFAOYSA-N	0	3	497.690	4.134	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1	ZINC000102485477	130139467	/nfs/dbraw/zinc/13/94/67/130139467.db2.gz	NUDFITYZWMVMPK-AYWGPLOBSA-N	0	3	478.980	4.208	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1C	ZINC000102518625	130171448	/nfs/dbraw/zinc/17/14/48/130171448.db2.gz	NQMXMNZEAXQZCI-SBXHHDGASA-N	0	3	466.578	4.253	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102525239	130177662	/nfs/dbraw/zinc/17/76/62/130177662.db2.gz	SEXQBEAHGNQDRA-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102717326	130263802	/nfs/dbraw/zinc/26/38/02/130263802.db2.gz	ZEUZOVATSPSBNL-IUKMQXEJSA-N	0	3	487.556	4.290	50	30		JIEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102884675	130366213	/nfs/dbraw/zinc/36/62/13/130366213.db2.gz	AKHYMLJSYXCBKE-NXLSWJSLSA-N	0	3	496.604	4.112	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1	ZINC000036309305	518714350	/nfs/dbraw/zinc/71/43/50/518714350.db2.gz	LRLHTEWKDIRVOX-YKSBVNFPSA-N	0	3	472.651	4.301	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036309337	518714365	/nfs/dbraw/zinc/71/43/65/518714365.db2.gz	XLKUXNFBRRZDCC-IRLDBZIGSA-N	0	3	472.651	4.301	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000009041753	519011031	/nfs/dbraw/zinc/01/10/31/519011031.db2.gz	NYFUAXRVYNHVED-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020443378	519021347	/nfs/dbraw/zinc/02/13/47/519021347.db2.gz	SRXJIVNSURACHE-VWLOTQADSA-N	0	3	494.588	4.189	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009334050	519044282	/nfs/dbraw/zinc/04/42/82/519044282.db2.gz	LIKMZXAYDWRRFZ-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009313064	519061914	/nfs/dbraw/zinc/06/19/14/519061914.db2.gz	QNIKDAMRJMIGQC-BVZFJXPGSA-N	0	3	476.573	4.105	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009177899	520420071	/nfs/dbraw/zinc/42/00/71/520420071.db2.gz	SFWFBFLKSOZNIC-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(F)cc1	ZINC000009066988	520647714	/nfs/dbraw/zinc/64/77/14/520647714.db2.gz	SDFVUNAMOJMXJE-HOGKFDNTSA-N	0	3	466.509	4.344	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc(OC)c1OC	ZINC000009329001	520652215	/nfs/dbraw/zinc/65/22/15/520652215.db2.gz	QQDDQSLMFFXNAR-NXLSWJSLSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1	ZINC000009411182	520653300	/nfs/dbraw/zinc/65/33/00/520653300.db2.gz	JWRWEFRDXJBYPD-CZNAVJSXSA-N	0	3	485.584	4.424	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000020461151	520656520	/nfs/dbraw/zinc/65/65/20/520656520.db2.gz	MPRDDHIQLCIVIY-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000020461151	520656528	/nfs/dbraw/zinc/65/65/28/520656528.db2.gz	MPRDDHIQLCIVIY-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009244296	520858741	/nfs/dbraw/zinc/85/87/41/520858741.db2.gz	VHRPXXGWNHGVQX-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020280656	521239555	/nfs/dbraw/zinc/23/95/55/521239555.db2.gz	ZPJSXQBQOZLPBV-OAQYLSRUSA-N	0	3	458.580	4.076	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009411331	521590196	/nfs/dbraw/zinc/59/01/96/521590196.db2.gz	WVMLQWVYOLMCJC-IUKMQXEJSA-N	0	3	480.605	4.494	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000009360431	525389988	/nfs/dbraw/zinc/38/99/88/525389988.db2.gz	OFCJXBLEQPDCDB-DEOSSOPVSA-N	0	3	482.577	4.021	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1	ZINC000009046382	525552428	/nfs/dbraw/zinc/55/24/28/525552428.db2.gz	UUFVOIONVWYPEX-QHCPKHFHSA-N	0	3	478.980	4.364	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Cl)c1	ZINC000009274984	527092596	/nfs/dbraw/zinc/09/25/96/527092596.db2.gz	XJJYUXVPVANFMV-NRFANRHFSA-N	0	3	466.969	4.135	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Cl)c1	ZINC000009274984	527092601	/nfs/dbraw/zinc/09/26/01/527092601.db2.gz	XJJYUXVPVANFMV-NRFANRHFSA-N	0	3	466.969	4.135	50	30		JIEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000006199015	527117222	/nfs/dbraw/zinc/11/72/22/527117222.db2.gz	PPKOLSBCJFQMSI-QGZVFWFLSA-N	0	3	470.982	4.281	50	30		JIEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000002359138	554165114	/nfs/dbraw/zinc/16/51/14/554165114.db2.gz	JUMHGMDKHXAHKV-QHCPKHFHSA-N	0	3	481.531	4.446	50	30		JIEAHN
Cc1ccc(OS(=O)(=O)c2ccc(C)c(Cl)c2)c(/C=N/N=C2/NC(=O)C(C(C)C)S2)c1	ZINC000008400518	554575735	/nfs/dbraw/zinc/57/57/35/554575735.db2.gz	OOFNSHMSEADANG-XLHYMUBZSA-N	0	3	480.011	4.302	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000008818055	554701435	/nfs/dbraw/zinc/70/14/35/554701435.db2.gz	QZXDAKRSCGINOB-XMMPIXPASA-N	0	3	474.605	4.470	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000008818055	554701438	/nfs/dbraw/zinc/70/14/38/554701438.db2.gz	QZXDAKRSCGINOB-XMMPIXPASA-N	0	3	474.605	4.470	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1	ZINC000008838105	554739395	/nfs/dbraw/zinc/73/93/95/554739395.db2.gz	FXCIWIGDNQURRF-HSZRJFAPSA-N	0	3	478.980	4.364	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1	ZINC000008904935	554799265	/nfs/dbraw/zinc/79/92/65/554799265.db2.gz	GQBYANPPXGKYSB-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1	ZINC000008904935	554799267	/nfs/dbraw/zinc/79/92/67/554799267.db2.gz	GQBYANPPXGKYSB-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000019928758	555544626	/nfs/dbraw/zinc/54/46/26/555544626.db2.gz	YAFRXHCILHPMLV-DEOSSOPVSA-N	0	3	464.562	4.098	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020029427	555604883	/nfs/dbraw/zinc/60/48/83/555604883.db2.gz	AWLFDFLAZHKHCV-NRFANRHFSA-N	0	3	487.394	4.378	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000020064612	555624774	/nfs/dbraw/zinc/62/47/74/555624774.db2.gz	ORHOFHXBYLLTOQ-RUZDIDTESA-N	0	3	496.604	4.274	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1Cl	ZINC000020168565	555679284	/nfs/dbraw/zinc/67/92/84/555679284.db2.gz	HEHHQCDXTFKAEB-NRFANRHFSA-N	0	3	457.958	4.054	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OCC	ZINC000020219474	555714498	/nfs/dbraw/zinc/71/44/98/555714498.db2.gz	WKWPZEFQFHHTRP-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccs1	ZINC000020219853	555716228	/nfs/dbraw/zinc/71/62/28/555716228.db2.gz	SMLGQIHPINVCOH-FQEVSTJZSA-N	0	3	454.548	4.423	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020264181	555746535	/nfs/dbraw/zinc/74/65/35/555746535.db2.gz	OISLKHNMZKXXTR-HSZRJFAPSA-N	0	3	470.541	4.153	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020308024	555763810	/nfs/dbraw/zinc/76/38/10/555763810.db2.gz	YJUNFEUSIBEDEV-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020308024	555763814	/nfs/dbraw/zinc/76/38/14/555763814.db2.gz	YJUNFEUSIBEDEV-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024080736	556119091	/nfs/dbraw/zinc/11/90/91/556119091.db2.gz	LSEQPFDFQOFUSD-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024080736	556119094	/nfs/dbraw/zinc/11/90/94/556119094.db2.gz	LSEQPFDFQOFUSD-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1C	ZINC000024081395	556120633	/nfs/dbraw/zinc/12/06/33/556120633.db2.gz	SYNDDPGPJOVQIR-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1C	ZINC000024081395	556120637	/nfs/dbraw/zinc/12/06/37/556120637.db2.gz	SYNDDPGPJOVQIR-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000016713813	556155032	/nfs/dbraw/zinc/15/50/32/556155032.db2.gz	KSANYPSFQJKAPO-HSZRJFAPSA-N	0	3	481.549	4.078	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000016734822	556155916	/nfs/dbraw/zinc/15/59/16/556155916.db2.gz	ZKZFBLXIVBBARK-QHCPKHFHSA-N	0	3	479.533	4.080	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000016805786	556162119	/nfs/dbraw/zinc/16/21/19/556162119.db2.gz	IAWXVFYSLGGLJI-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000016805786	556162120	/nfs/dbraw/zinc/16/21/20/556162120.db2.gz	IAWXVFYSLGGLJI-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1C	ZINC000017196555	556238329	/nfs/dbraw/zinc/23/83/29/556238329.db2.gz	DEUHXUXYHCLZCM-DEOSSOPVSA-N	0	3	466.578	4.410	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000101313436	569792080	/nfs/dbraw/zinc/79/20/80/569792080.db2.gz	ISSBDNJMBZMQBU-NPJIAGGLSA-N	0	3	478.589	4.412	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000101313824	569792292	/nfs/dbraw/zinc/79/22/92/569792292.db2.gz	IBCHXMDDFFYPEC-ONLXDWTESA-N	0	3	490.600	4.338	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000101313822	569792409	/nfs/dbraw/zinc/79/24/09/569792409.db2.gz	IBCHXMDDFFYPEC-NKHPTUSLSA-N	0	3	490.600	4.338	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(O)cc1	ZINC000102169079	569810431	/nfs/dbraw/zinc/81/04/31/569810431.db2.gz	FFFLMZQJAZLCAZ-NXLSWJSLSA-N	0	3	466.578	4.109	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1	ZINC000102169880	569810524	/nfs/dbraw/zinc/81/05/24/569810524.db2.gz	CYILJCNHZDIBQC-AYWGPLOBSA-N	0	3	454.542	4.234	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1	ZINC000102929511	569827778	/nfs/dbraw/zinc/82/77/78/569827778.db2.gz	URQNTRNHZBYPAK-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000102934986	569829181	/nfs/dbraw/zinc/82/91/81/569829181.db2.gz	QJQQUDXOKFAWGR-MRJHHRETSA-N	0	3	460.933	4.251	50	30		JIEAHN
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)O[C@@H]1C2	ZINC000059415086	195399481	/nfs/dbraw/zinc/39/94/81/195399481.db2.gz	FQIIHRRVNVYASB-NMVSFQQOSA-N	0	3	478.555	4.354	50	30	biogenic	JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000102545675	130200782	/nfs/dbraw/zinc/20/07/82/130200782.db2.gz	JACHZLBPHHMBAT-SBXHHDGASA-N	0	3	496.604	4.256	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccnc3)cc2)c1	ZINC000102708246	130254899	/nfs/dbraw/zinc/25/48/99/130254899.db2.gz	DMVCWFMSVYSQQQ-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)ccc1OCc1ccccc1	ZINC000102883853	130364437	/nfs/dbraw/zinc/36/44/37/130364437.db2.gz	MLLLNGZXPFDROS-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1	ZINC000036307347	518301095	/nfs/dbraw/zinc/30/10/95/518301095.db2.gz	DNNXOQHSFWERIJ-QHCPKHFHSA-N	0	3	463.553	4.241	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C	ZINC000036307071	518301304	/nfs/dbraw/zinc/30/13/04/518301304.db2.gz	QLMRWHGDVHEXGX-QFIPXVFZSA-N	0	3	451.542	4.240	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C	ZINC000036305715	518310729	/nfs/dbraw/zinc/31/07/29/518310729.db2.gz	PVBBKWXRICHUSI-HSZRJFAPSA-N	0	3	477.605	4.357	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036309084	518714147	/nfs/dbraw/zinc/71/41/47/518714147.db2.gz	GOELTSKLAFHWFG-QPPBQGQZSA-N	0	3	454.636	4.292	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1	ZINC000016733138	519019892	/nfs/dbraw/zinc/01/98/92/519019892.db2.gz	VTZINQSKBJMNPC-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1	ZINC000016733138	519019899	/nfs/dbraw/zinc/01/98/99/519019899.db2.gz	VTZINQSKBJMNPC-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000016734117	519041574	/nfs/dbraw/zinc/04/15/74/519041574.db2.gz	PESFHBZUYCFSPP-HSZRJFAPSA-N	0	3	484.980	4.443	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000016213009	519046706	/nfs/dbraw/zinc/04/67/06/519046706.db2.gz	ISOGZIFTMLLTJJ-VWLOTQADSA-N	0	3	494.588	4.107	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009301904	519061811	/nfs/dbraw/zinc/06/18/11/519061811.db2.gz	DNDMLPQUPAVION-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3c[nH]c4ccccc34)CC2)C1=O	ZINC000012034735	519339278	/nfs/dbraw/zinc/33/92/78/519339278.db2.gz	HBKAOTDGUNJGJO-LJAQVGFWSA-N	0	3	468.601	4.327	50	30		JIEAHN
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(CC)cc3)CC2)C1=O	ZINC000011787629	519342518	/nfs/dbraw/zinc/34/25/18/519342518.db2.gz	PFOOUDGZGYIJBM-MUUNZHRXSA-N	0	3	461.581	4.157	50	30		JIEAHN
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3c[nH]c4ccccc34)CC2)C1=O	ZINC000012034737	519342632	/nfs/dbraw/zinc/34/26/32/519342632.db2.gz	HBKAOTDGUNJGJO-GDLZYMKVSA-N	0	3	468.601	4.327	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1	ZINC000009244250	519761946	/nfs/dbraw/zinc/76/19/46/519761946.db2.gz	AGBMICWNLTUWJZ-QHCPKHFHSA-N	0	3	454.542	4.391	50	30		JIEAHN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009359644	520329075	/nfs/dbraw/zinc/32/90/75/520329075.db2.gz	RRMKLRJOOHZCKF-HSZRJFAPSA-N	0	3	452.551	4.101	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009359644	520329081	/nfs/dbraw/zinc/32/90/81/520329081.db2.gz	RRMKLRJOOHZCKF-HSZRJFAPSA-N	0	3	452.551	4.101	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009235863	520431044	/nfs/dbraw/zinc/43/10/44/520431044.db2.gz	KQNWHSKEMIEZMO-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009235863	520431051	/nfs/dbraw/zinc/43/10/51/520431051.db2.gz	KQNWHSKEMIEZMO-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009275779	520647549	/nfs/dbraw/zinc/64/75/49/520647549.db2.gz	ICFLVRRRELVPLO-MOBKVPTQSA-N	0	3	463.490	4.105	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Br)cc1	ZINC000009135575	520653637	/nfs/dbraw/zinc/65/36/37/520653637.db2.gz	QPYSQDJIXRMSPB-SELCWUDQSA-N	0	3	463.397	4.274	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000009271537	520842567	/nfs/dbraw/zinc/84/25/67/520842567.db2.gz	QHMJBSFRBORGAD-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000009271537	520842576	/nfs/dbraw/zinc/84/25/76/520842576.db2.gz	QHMJBSFRBORGAD-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1	ZINC000009174356	521755324	/nfs/dbraw/zinc/75/53/24/521755324.db2.gz	IJKOTZBWKWAMCI-NHFXJNLRSA-N	0	3	469.335	4.179	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009374365	524033673	/nfs/dbraw/zinc/03/36/73/524033673.db2.gz	FAWWWCACPHUGRF-SBXHHDGASA-N	0	3	450.579	4.267	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(Cl)cc3)oc21	ZINC000009339544	524257879	/nfs/dbraw/zinc/25/78/79/524257879.db2.gz	NDWXSXIWKIQTBF-JBCNATCCSA-N	0	3	468.937	4.468	50	30		JIEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009411400	524803721	/nfs/dbraw/zinc/80/37/21/524803721.db2.gz	KOYHEHSZJYEURH-QHCPKHFHSA-N	0	3	452.551	4.012	50	30		JIEAHN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000016741624	525519196	/nfs/dbraw/zinc/51/91/96/525519196.db2.gz	FQOVJYUQCSLRQW-MZNJEOGPSA-N	0	3	462.590	4.447	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1	ZINC000009046383	525552739	/nfs/dbraw/zinc/55/27/39/525552739.db2.gz	UUFVOIONVWYPEX-HSZRJFAPSA-N	0	3	478.980	4.364	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)cc2)c1	ZINC000008742456	554645147	/nfs/dbraw/zinc/64/51/47/554645147.db2.gz	SHVNPDLHNQUHPJ-SANMLTNESA-N	0	3	486.568	4.420	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000008817150	554699555	/nfs/dbraw/zinc/69/95/55/554699555.db2.gz	GUSAZNPCXUFJRH-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008817439	554700425	/nfs/dbraw/zinc/70/04/25/554700425.db2.gz	IFPCEAZTKNHYSW-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008817439	554700426	/nfs/dbraw/zinc/70/04/26/554700426.db2.gz	IFPCEAZTKNHYSW-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	ZINC000008837331	554738139	/nfs/dbraw/zinc/73/81/39/554738139.db2.gz	VSZCMGBPKSUXRR-XMMPIXPASA-N	0	3	495.576	4.468	50	30		JIEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1C	ZINC000008837937	554739083	/nfs/dbraw/zinc/73/90/83/554739083.db2.gz	UIVNAAQXCXGZIM-DEOSSOPVSA-N	0	3	495.620	4.462	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008905314	554799720	/nfs/dbraw/zinc/79/97/20/554799720.db2.gz	DBHBCZWKHWORFH-QHCPKHFHSA-N	0	3	450.579	4.441	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000008921295	554818147	/nfs/dbraw/zinc/81/81/47/554818147.db2.gz	CUQDHAHPDSXPDZ-QHCPKHFHSA-N	0	3	452.551	4.012	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccncc1	ZINC000009008144	554862570	/nfs/dbraw/zinc/86/25/70/554862570.db2.gz	ACFOSRQNIMCUER-SBXHHDGASA-N	0	3	465.594	4.188	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000013427144	555399999	/nfs/dbraw/zinc/39/99/99/555399999.db2.gz	VRFQDPQXFSMLFI-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000019928948	555545000	/nfs/dbraw/zinc/54/50/00/555545000.db2.gz	OOFRZLITQGQCQM-VWLOTQADSA-N	0	3	477.605	4.156	50	30		JIEAHN
COc1ccc(-c2csc(C3=C(N)N(C4CCN(Cc5ccccc5)CC4)CC3=O)n2)cc1OC	ZINC000013655390	555555048	/nfs/dbraw/zinc/55/50/48/555555048.db2.gz	ZKQOCOCDLWGICU-UHFFFAOYSA-N	0	3	490.629	4.004	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020103291	555635603	/nfs/dbraw/zinc/63/56/03/555635603.db2.gz	GYWZJOKPQDKCTK-XMMPIXPASA-N	0	3	450.579	4.486	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020103291	555635604	/nfs/dbraw/zinc/63/56/04/555635604.db2.gz	GYWZJOKPQDKCTK-XMMPIXPASA-N	0	3	450.579	4.486	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000020193134	555694279	/nfs/dbraw/zinc/69/42/79/555694279.db2.gz	KYMNHZQNIGWNCO-HSZRJFAPSA-N	0	3	464.562	4.243	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)oc21	ZINC000020219195	555713477	/nfs/dbraw/zinc/71/34/77/555713477.db2.gz	SJZCNUOVHVRGQN-HXUWFJFHSA-N	0	3	454.910	4.235	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020230255	555720703	/nfs/dbraw/zinc/72/07/03/555720703.db2.gz	KBJZWZZBEHIMHW-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020230255	555720705	/nfs/dbraw/zinc/72/07/05/555720705.db2.gz	KBJZWZZBEHIMHW-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020231569	555721757	/nfs/dbraw/zinc/72/17/57/555721757.db2.gz	GSXSBBYDDXTOQP-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020264615	555746904	/nfs/dbraw/zinc/74/69/04/555746904.db2.gz	JHLAYYDKXDRVJI-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020265236	555747614	/nfs/dbraw/zinc/74/76/14/555747614.db2.gz	RMHZGYIVIHBPAL-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020265236	555747616	/nfs/dbraw/zinc/74/76/16/555747616.db2.gz	RMHZGYIVIHBPAL-HSZRJFAPSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020330884	555775911	/nfs/dbraw/zinc/77/59/11/555775911.db2.gz	SNKRJLGNIHWLNT-BVZFJXPGSA-N	0	3	478.589	4.329	50	30		JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@H]13)CC2	ZINC000012659250	556100079	/nfs/dbraw/zinc/10/00/79/556100079.db2.gz	UCSAOIGRLWQSRE-FIUUUHTBSA-N	0	3	455.595	4.150	50	30	biogenic	JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024081078	556119781	/nfs/dbraw/zinc/11/97/81/556119781.db2.gz	YQGDISVNZPXFDC-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024081078	556119783	/nfs/dbraw/zinc/11/97/83/556119783.db2.gz	YQGDISVNZPXFDC-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000024334071	556129530	/nfs/dbraw/zinc/12/95/30/556129530.db2.gz	SMNNGWUGETURJH-RUZDIDTESA-N	0	3	479.621	4.380	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000024334071	556129535	/nfs/dbraw/zinc/12/95/35/556129535.db2.gz	SMNNGWUGETURJH-RUZDIDTESA-N	0	3	479.621	4.380	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1C	ZINC000017137931	556224127	/nfs/dbraw/zinc/22/41/27/556224127.db2.gz	FHAMTBXDPSRHTH-QHCPKHFHSA-N	0	3	451.567	4.099	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCC(C)C	ZINC000017147581	556226637	/nfs/dbraw/zinc/22/66/37/556226637.db2.gz	KTYRDWZFNLXDJE-DEOSSOPVSA-N	0	3	466.578	4.265	50	30	biogenic	JIEAHN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000017196730	556238390	/nfs/dbraw/zinc/23/83/90/556238390.db2.gz	ZHNSOBDBPLMMJG-OYHNWAKOSA-N	0	3	454.954	4.193	50	30		JIEAHN
C=CCn1c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1C1CCCCC1	ZINC000018954843	556325882	/nfs/dbraw/zinc/32/58/82/556325882.db2.gz	NTKVUVIQCSLTLW-UHFFFAOYSA-N	0	3	453.656	4.385	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccnc1	ZINC000102861643	569824979	/nfs/dbraw/zinc/82/49/79/569824979.db2.gz	ALBXSIRPHISGIG-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1Cl	ZINC000102927977	569827039	/nfs/dbraw/zinc/82/70/39/569827039.db2.gz	QOLXRQADTMJSKQ-HOGKFDNTSA-N	0	3	456.970	4.421	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1	ZINC000102929515	569827764	/nfs/dbraw/zinc/82/77/64/569827764.db2.gz	URQNTRNHZBYPAK-CJJGVWJISA-N	0	3	485.584	4.342	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009046307	124013755	/nfs/dbraw/zinc/01/37/55/124013755.db2.gz	BJZRWPGFDZNSBL-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1	ZINC000102485485	130139713	/nfs/dbraw/zinc/13/97/13/130139713.db2.gz	NUDFITYZWMVMPK-ZHHPLPSFSA-N	0	3	478.980	4.208	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102497966	130152094	/nfs/dbraw/zinc/15/20/94/130152094.db2.gz	JLUSYKWFKIYWOP-NPJIAGGLSA-N	0	3	496.604	4.262	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102534494	130188815	/nfs/dbraw/zinc/18/88/15/130188815.db2.gz	IRBWMGWQWVSBBA-UVDRRRQGSA-N	0	3	474.605	4.314	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102534494	130188816	/nfs/dbraw/zinc/18/88/16/130188816.db2.gz	IRBWMGWQWVSBBA-UVDRRRQGSA-N	0	3	474.605	4.314	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102558707	130207699	/nfs/dbraw/zinc/20/76/99/130207699.db2.gz	GAYPUAWWDGPEFZ-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000102860088	130330531	/nfs/dbraw/zinc/33/05/31/130330531.db2.gz	AVNXAABACLXLBM-AYWGPLOBSA-N	0	3	450.579	4.366	50	30		JIEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102884677	130366061	/nfs/dbraw/zinc/36/60/61/130366061.db2.gz	AKHYMLJSYXCBKE-SBXHHDGASA-N	0	3	496.604	4.112	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102886272	130367413	/nfs/dbraw/zinc/36/74/13/130367413.db2.gz	SXVDPBJOOHNGFN-IUKMQXEJSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000102925729	130396769	/nfs/dbraw/zinc/39/67/69/130396769.db2.gz	YRSLDEUXDNQEMT-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C	ZINC000036306134	518311224	/nfs/dbraw/zinc/31/12/24/518311224.db2.gz	XDNJNXCWGNZKJV-JOCHJYFZSA-N	0	3	463.578	4.109	50	30		JIEAHN
C=C(C)COc1ccc2c(C)c(CCC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(=O)oc2c1	ZINC000020759792	518615760	/nfs/dbraw/zinc/61/57/60/518615760.db2.gz	CDMRTMSZTOGMGK-UHFFFAOYSA-N	0	3	495.664	4.055	50	30	biogenic	JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000009339582	519058588	/nfs/dbraw/zinc/05/85/88/519058588.db2.gz	VJNHCVZYZFOULA-NPJIAGGLSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1	ZINC000009339582	519058594	/nfs/dbraw/zinc/05/85/94/519058594.db2.gz	VJNHCVZYZFOULA-NPJIAGGLSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1ccccc1CN1CCC([C@]2(CCc3ccccc3)NC(=O)N(CC#CC)C2=O)CC1	ZINC000011909325	519070372	/nfs/dbraw/zinc/07/03/72/519070372.db2.gz	AKIZKXBYGMWPFS-PMERELPUSA-N	0	3	485.628	4.410	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009235858	520420292	/nfs/dbraw/zinc/42/02/92/520420292.db2.gz	KQNWHSKEMIEZMO-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009235858	520420300	/nfs/dbraw/zinc/42/03/00/520420300.db2.gz	KQNWHSKEMIEZMO-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009065610	520430466	/nfs/dbraw/zinc/43/04/66/520430466.db2.gz	UIVTYJYYLDQTDV-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1	ZINC000009334467	520650403	/nfs/dbraw/zinc/65/04/03/520650403.db2.gz	DGRKTMRDNPEJFD-MRJHHRETSA-N	0	3	487.394	4.221	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1	ZINC000009334467	520650406	/nfs/dbraw/zinc/65/04/06/520650406.db2.gz	DGRKTMRDNPEJFD-MRJHHRETSA-N	0	3	487.394	4.221	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000020461063	520783017	/nfs/dbraw/zinc/78/30/17/520783017.db2.gz	LSLWMDPPBZSLMI-VWLOTQADSA-N	0	3	496.604	4.356	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009359664	520858068	/nfs/dbraw/zinc/85/80/68/520858068.db2.gz	MVPREVUEXXHZGY-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1C	ZINC000009375130	520859270	/nfs/dbraw/zinc/85/92/70/520859270.db2.gz	YKCXRHXOIWXTFY-VWLOTQADSA-N	0	3	496.604	4.418	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000022276005	520875987	/nfs/dbraw/zinc/87/59/87/520875987.db2.gz	MGXRTXIIHLJJKW-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000022276005	520875991	/nfs/dbraw/zinc/87/59/91/520875991.db2.gz	MGXRTXIIHLJJKW-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009360090	521590341	/nfs/dbraw/zinc/59/03/41/521590341.db2.gz	BEXBMMHHMZYMCM-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Br)cc1	ZINC000009042210	521754920	/nfs/dbraw/zinc/75/49/20/521754920.db2.gz	ULHFHWBAUBHTJR-NHFXJNLRSA-N	0	3	469.335	4.179	50	30		JIEAHN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000009339993	522954992	/nfs/dbraw/zinc/95/49/92/522954992.db2.gz	BOBKWELIDPSVDG-VWLOTQADSA-N	0	3	496.604	4.274	50	30	biogenic	JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009311947	524054310	/nfs/dbraw/zinc/05/43/10/524054310.db2.gz	CAYRJXZAOLWHDN-SBXHHDGASA-N	0	3	478.589	4.129	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1	ZINC000009312177	525172732	/nfs/dbraw/zinc/17/27/32/525172732.db2.gz	YMEGUZZVADFHJA-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(O)c2)cc1	ZINC000009311872	525173404	/nfs/dbraw/zinc/17/34/04/525173404.db2.gz	ULTCYYNIRQBUTR-SANMLTNESA-N	0	3	486.568	4.420	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(O)cc1	ZINC000009313140	525368004	/nfs/dbraw/zinc/36/80/04/525368004.db2.gz	YBWPNYZDCBHARM-DEOSSOPVSA-N	0	3	466.578	4.265	50	30		JIEAHN
COc1cccc(-n2c(SCC(=O)C(C#N)c3nc(C)cs3)nc3ccccc3c2=O)c1	ZINC000009465019	525747953	/nfs/dbraw/zinc/74/79/53/525747953.db2.gz	XNOOIJPZFQOKOU-GOSISDBHSA-N	0	3	462.556	4.128	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)c(OC)c4)C[C@@H](C)O)[C@H]3C[C@H]12	ZINC000008790344	554683609	/nfs/dbraw/zinc/68/36/09/554683609.db2.gz	VTQVYQCKURGPRZ-NILXTZBJSA-N	0	3	457.611	4.201	50	30	biogenic	JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C)o1	ZINC000008903870	554798049	/nfs/dbraw/zinc/79/80/49/554798049.db2.gz	IRYACOSIZAYCKH-JBCNATCCSA-N	0	3	452.507	4.106	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccncc3)cc2)c1	ZINC000013569549	555507917	/nfs/dbraw/zinc/50/79/17/555507917.db2.gz	ZFORVIAWPVMFFV-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000013614791	555535634	/nfs/dbraw/zinc/53/56/34/555535634.db2.gz	NEWOSNGZBCRNPE-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000013614791	555535635	/nfs/dbraw/zinc/53/56/35/555535635.db2.gz	NEWOSNGZBCRNPE-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)cc1C	ZINC000019928776	555544748	/nfs/dbraw/zinc/54/47/48/555544748.db2.gz	SGGMSQKLVHXOQB-HSZRJFAPSA-N	0	3	452.526	4.229	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1C	ZINC000019928764	555544801	/nfs/dbraw/zinc/54/48/01/555544801.db2.gz	JBYFCUIZMFHNEE-QHCPKHFHSA-N	0	3	452.526	4.229	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938444	555556488	/nfs/dbraw/zinc/55/64/88/555556488.db2.gz	YMXHMUCKUKHMIO-CJAUYULYSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938444	555556491	/nfs/dbraw/zinc/55/64/91/555556491.db2.gz	YMXHMUCKUKHMIO-CJAUYULYSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938445	555556632	/nfs/dbraw/zinc/55/66/32/555556632.db2.gz	YMXHMUCKUKHMIO-IQGLISFBSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938445	555556633	/nfs/dbraw/zinc/55/66/33/555556633.db2.gz	YMXHMUCKUKHMIO-IQGLISFBSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OCC	ZINC000020219473	555714510	/nfs/dbraw/zinc/71/45/10/555714510.db2.gz	WKWPZEFQFHHTRP-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000024115955	556122277	/nfs/dbraw/zinc/12/22/77/556122277.db2.gz	BPURVBSAJPWCHD-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)cc1C	ZINC000024115955	556122281	/nfs/dbraw/zinc/12/22/81/556122281.db2.gz	BPURVBSAJPWCHD-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1	ZINC000013005041	556196900	/nfs/dbraw/zinc/19/69/00/556196900.db2.gz	YXXDFTNFMWFLSB-UHFFFAOYSA-N	0	3	489.641	4.462	50	30		JIEAHN
C[C@@H]1CC[C@H]2[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000061997615	569609880	/nfs/dbraw/zinc/60/98/80/569609880.db2.gz	LSDFDNALGJDQTF-CMKLKCLWSA-N	0	3	478.555	4.353	50	30	biogenic	JIEAHN
CN(C[C@H](O)COc1cccc2ccccc21)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000035363821	569682547	/nfs/dbraw/zinc/68/25/47/569682547.db2.gz	NZWFCXYFICLASO-CGMMWWGQSA-N	0	3	479.617	4.038	50	30	biogenic	JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102169937	569810621	/nfs/dbraw/zinc/81/06/21/569810621.db2.gz	XLMQEYJQOILFHD-AYWGPLOBSA-N	0	3	481.549	4.003	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1Cl	ZINC000102929976	569828109	/nfs/dbraw/zinc/82/81/09/569828109.db2.gz	MWNFKZAMTLHGLE-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
CN(C[C@@H](O)COc1cccc2ccccc21)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000105376018	569852968	/nfs/dbraw/zinc/85/29/68/569852968.db2.gz	NZWFCXYFICLASO-KBWOMFKXSA-N	0	3	479.617	4.038	50	30	biogenic	JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1	ZINC000245325605	570064242	/nfs/dbraw/zinc/06/42/42/570064242.db2.gz	BHQICWLBKGLYLL-XUZZJYLKSA-N	0	3	472.626	4.431	50	30		JIEAHN
CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(CC#Cc2ccccc2)CCO3)C1	ZINC000299756335	570174255	/nfs/dbraw/zinc/17/42/55/570174255.db2.gz	HCMNABZNRYGVLK-SANMLTNESA-N	0	3	459.634	4.013	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2)cc1Cl	ZINC000102482432	130135946	/nfs/dbraw/zinc/13/59/46/130135946.db2.gz	PHNBFXXCEKQRHX-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1C	ZINC000102510699	130164830	/nfs/dbraw/zinc/16/48/30/130164830.db2.gz	KBTHVVAYYTXUEJ-NPJIAGGLSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)c(C)c2)=C(O)C(=O)N1CCN(CC)CC	ZINC000102523623	130176224	/nfs/dbraw/zinc/17/62/24/130176224.db2.gz	ZVAYRRMZRYGNFD-NXLSWJSLSA-N	0	3	466.578	4.166	50	30		JIEAHN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102892245	130374241	/nfs/dbraw/zinc/37/42/41/130374241.db2.gz	QETOEYWJALGRFZ-YJBPAFNHSA-N	0	3	478.589	4.172	50	30		JIEAHN
C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1	ZINC000036305568	518298257	/nfs/dbraw/zinc/29/82/57/518298257.db2.gz	UXOVTGYDWGZNGT-QFIPXVFZSA-N	0	3	463.578	4.111	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)CC1CC1	ZINC000036309349	518712827	/nfs/dbraw/zinc/71/28/27/518712827.db2.gz	SESUEAZCWRMOHQ-FYYLOGMGSA-N	0	3	484.662	4.301	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000009186598	519062111	/nfs/dbraw/zinc/06/21/11/519062111.db2.gz	DMLMMSJHAKTADV-DEOSSOPVSA-N	0	3	464.562	4.179	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009312259	519062276	/nfs/dbraw/zinc/06/22/76/519062276.db2.gz	QNIKDAMRJMIGQC-CJAUYULYSA-N	0	3	476.573	4.105	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3ccc(OC)c(C)c3C)CC2)C1=O	ZINC000012154426	519340846	/nfs/dbraw/zinc/34/08/46/519340846.db2.gz	DNMBJOHUPGZJKY-PMERELPUSA-N	0	3	487.644	4.471	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009358439	520327580	/nfs/dbraw/zinc/32/75/80/520327580.db2.gz	MTUYQPRQDVYUNO-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000009240842	520430739	/nfs/dbraw/zinc/43/07/39/520430739.db2.gz	OKXWQCNYWLPBEU-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000009359683	520651700	/nfs/dbraw/zinc/65/17/00/520651700.db2.gz	MARJZXPWJLESAT-AYWGPLOBSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000009359683	520651705	/nfs/dbraw/zinc/65/17/05/520651705.db2.gz	MARJZXPWJLESAT-AYWGPLOBSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000020461149	520655778	/nfs/dbraw/zinc/65/57/78/520655778.db2.gz	MPRDDHIQLCIVIY-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000020461149	520655785	/nfs/dbraw/zinc/65/57/85/520655785.db2.gz	MPRDDHIQLCIVIY-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000009045529	520873125	/nfs/dbraw/zinc/87/31/25/520873125.db2.gz	FUAQPVRLCITSLF-NRFANRHFSA-N	0	3	487.940	4.177	50	30		JIEAHN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020393425	520909619	/nfs/dbraw/zinc/90/96/19/520909619.db2.gz	FIWFUTNOMGKOPP-AVRWGWEMSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020548893	521236397	/nfs/dbraw/zinc/23/63/97/521236397.db2.gz	KKAMBXGYVNUUIQ-HSZRJFAPSA-N	0	3	470.541	4.152	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1CCN(C)C	ZINC000020358323	521590822	/nfs/dbraw/zinc/59/08/22/521590822.db2.gz	CHWIVVYOELURHL-QHCPKHFHSA-N	0	3	452.551	4.012	50	30		JIEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1C	ZINC000009073659	524020922	/nfs/dbraw/zinc/02/09/22/524020922.db2.gz	AXLIPNOTRZCOGJ-HSZRJFAPSA-N	0	3	481.593	4.072	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000016741275	524055470	/nfs/dbraw/zinc/05/54/70/524055470.db2.gz	FFZKCQFDLOOTGA-XMMPIXPASA-N	0	3	460.530	4.389	50	30		JIEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000009357642	524111692	/nfs/dbraw/zinc/11/16/92/524111692.db2.gz	RCAGSXQBLNNWBW-XMMPIXPASA-N	0	3	496.604	4.269	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccncc3)cc2)c1	ZINC000004041217	524445017	/nfs/dbraw/zinc/44/50/17/524445017.db2.gz	WUMPEPHNNCQCPJ-RUZDIDTESA-N	0	3	471.557	4.109	50	30		JIEAHN
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCN3CCc4ccccc4C3)cc12	ZINC000015961505	525077054	/nfs/dbraw/zinc/07/70/54/525077054.db2.gz	GUZKIHXGJQNCND-UHFFFAOYSA-N	0	3	474.678	4.051	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009313126	525172158	/nfs/dbraw/zinc/17/21/58/525172158.db2.gz	LMWDVAPFJMHALB-AREMUKBSSA-N	0	3	486.568	4.420	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009068281	525220733	/nfs/dbraw/zinc/22/07/33/525220733.db2.gz	AIZPSDIHIZWTNV-XMMPIXPASA-N	0	3	482.577	4.021	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000009312049	526199631	/nfs/dbraw/zinc/19/96/31/526199631.db2.gz	JZZBAGFPKWFNEU-HSZRJFAPSA-N	0	3	481.549	4.220	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000102484371	536561670	/nfs/dbraw/zinc/56/16/70/536561670.db2.gz	VBFVWFVDOMNTLA-SBXHHDGASA-N	0	3	480.605	4.375	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@@H]4CCO)[C@H]3C[C@H]12	ZINC000008790366	554683587	/nfs/dbraw/zinc/68/35/87/554683587.db2.gz	QAVKKTGTMMWWSF-QWANNYQPSA-N	0	3	469.622	4.300	50	30	biogenic	JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000008920523	554817435	/nfs/dbraw/zinc/81/74/35/554817435.db2.gz	GKALXQROQLYOSD-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000008920523	554817437	/nfs/dbraw/zinc/81/74/37/554817437.db2.gz	GKALXQROQLYOSD-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CN(C[C@H](O)COc1cccc2ccccc21)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21	ZINC000008952322	554835765	/nfs/dbraw/zinc/83/57/65/554835765.db2.gz	NZWFCXYFICLASO-DFVBPPAESA-N	0	3	479.617	4.038	50	30	biogenic	JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000013535208	555488431	/nfs/dbraw/zinc/48/84/31/555488431.db2.gz	MLZKSFRUUTVLBD-VWLOTQADSA-N	0	3	496.604	4.417	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000013535208	555488434	/nfs/dbraw/zinc/48/84/34/555488434.db2.gz	MLZKSFRUUTVLBD-VWLOTQADSA-N	0	3	496.604	4.417	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000020029591	555605305	/nfs/dbraw/zinc/60/53/05/555605305.db2.gz	YEBLXNTYQOSGTJ-RUZDIDTESA-N	0	3	496.604	4.417	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cc(OC)ccc1OC	ZINC000020149943	555665708	/nfs/dbraw/zinc/66/57/08/555665708.db2.gz	CXSLFZMMEPZCOF-DEOSSOPVSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020192094	555693377	/nfs/dbraw/zinc/69/33/77/555693377.db2.gz	MRYIYSPMSHXYCN-HSZRJFAPSA-N	0	3	470.541	4.153	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000020219321	555713702	/nfs/dbraw/zinc/71/37/02/555713702.db2.gz	PLGDQGXYPXCDPI-XMMPIXPASA-N	0	3	478.589	4.285	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000020228732	555719461	/nfs/dbraw/zinc/71/94/61/555719461.db2.gz	SJURGTFKUAQVRQ-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000020228732	555719465	/nfs/dbraw/zinc/71/94/65/555719465.db2.gz	SJURGTFKUAQVRQ-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020266884	555748352	/nfs/dbraw/zinc/74/83/52/555748352.db2.gz	NURIUPFTKVYABU-RUZDIDTESA-N	0	3	496.604	4.411	50	30		JIEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020267358	555748621	/nfs/dbraw/zinc/74/86/21/555748621.db2.gz	HTRNWUXWJXURCG-CJAUYULYSA-N	0	3	478.589	4.329	50	30		JIEAHN
C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000012762394	556109673	/nfs/dbraw/zinc/10/96/73/556109673.db2.gz	XTIVBIITHYLKEQ-UHFFFAOYSA-N	0	3	483.037	4.109	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)c(C)c1	ZINC000024080839	556119423	/nfs/dbraw/zinc/11/94/23/556119423.db2.gz	FFONVVSDWICTNQ-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCCO)Cc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12	ZINC000012864154	556120012	/nfs/dbraw/zinc/12/00/12/556120012.db2.gz	JLMUUZKBHLQEIY-OIBNQHEGSA-N	0	3	457.611	4.202	50	30	biogenic	JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000016734825	556155757	/nfs/dbraw/zinc/15/57/57/556155757.db2.gz	ZKZFBLXIVBBARK-HSZRJFAPSA-N	0	3	479.533	4.080	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1C	ZINC000017137812	556224137	/nfs/dbraw/zinc/22/41/37/556224137.db2.gz	HERVWYZKFOAVBB-HSZRJFAPSA-N	0	3	451.567	4.099	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c(C)c1	ZINC000017179702	556234441	/nfs/dbraw/zinc/23/44/41/556234441.db2.gz	GCQYZMDJWGPUBE-HSZRJFAPSA-N	0	3	451.567	4.099	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000019805439	556379456	/nfs/dbraw/zinc/37/94/56/556379456.db2.gz	ISQQVXZORYPPCJ-QFIPXVFZSA-N	0	3	455.986	4.326	50	30		JIEAHN
C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000032622740	556452375	/nfs/dbraw/zinc/45/23/75/556452375.db2.gz	DNUOVLAHBILSQY-DEOSSOPVSA-N	0	3	462.546	4.253	50	30		JIEAHN
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000032622742	556452738	/nfs/dbraw/zinc/45/27/38/556452738.db2.gz	DNUOVLAHBILSQY-XMMPIXPASA-N	0	3	462.546	4.253	50	30		JIEAHN
COc1ccc(NC(=O)CSc2nc3c(c(-c4ccsc4)c2C#N)CN(C)CC3)cc1	ZINC000033528912	569627456	/nfs/dbraw/zinc/62/74/56/569627456.db2.gz	GKYUUJHMXHYLML-UHFFFAOYSA-N	0	3	450.589	4.409	50	30		JIEAHN
O=C(CNC1(c2ccc(Cl)cc2)CCCCC1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000078724190	569706606	/nfs/dbraw/zinc/70/66/06/569706606.db2.gz	KPQLETBAHQHMFG-UHFFFAOYSA-N	0	3	489.041	4.198	50	30		JIEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102169758	569810522	/nfs/dbraw/zinc/81/05/22/569810522.db2.gz	ZYDVCATYKIQJEA-SBXHHDGASA-N	0	3	450.579	4.403	50	30		JIEAHN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C	ZINC000102175333	569810646	/nfs/dbraw/zinc/81/06/46/569810646.db2.gz	MVPSTNDPPXDKRO-ZHHPLPSFSA-N	0	3	454.542	4.152	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1	ZINC000105004884	569850023	/nfs/dbraw/zinc/85/00/23/569850023.db2.gz	LRLHTEWKDIRVOX-HYBUGGRVSA-N	0	3	472.651	4.301	50	30		JIEAHN
C=CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1	ZINC000169680081	569870029	/nfs/dbraw/zinc/87/00/29/569870029.db2.gz	IJURBRCWDOPREM-AREMUKBSSA-N	0	3	491.632	4.306	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245326631	570064918	/nfs/dbraw/zinc/06/49/18/570064918.db2.gz	GOELTSKLAFHWFG-ZJSXRUAMSA-N	0	3	454.636	4.292	50	30		JIEAHN
Cc1ccc(OS(=O)(=O)c2ccc(C)c(Cl)c2)c(C=NN=C2NC(=O)C(C(C)C)S2)c1	ZINC000252623297	570087832	/nfs/dbraw/zinc/08/78/32/570087832.db2.gz	OOFNSHMSEADANG-IBGZPJMESA-N	0	3	480.011	4.302	50	30		JIEAHN
C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC	ZINC000003655678	194352608	/nfs/dbraw/zinc/35/26/08/194352608.db2.gz	KDXZBHUGDGMADJ-VWLOTQADSA-N	0	3	476.573	4.480	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)CC1	ZINC000059415068	195399401	/nfs/dbraw/zinc/39/94/01/195399401.db2.gz	XVZKHNJQQWAJGA-SVRUMEOESA-N	0	3	459.030	4.297	50	30	biogenic	JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1	ZINC000102560974	130209006	/nfs/dbraw/zinc/20/90/06/130209006.db2.gz	CQQSZHLZPMHKMM-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000102867724	130340690	/nfs/dbraw/zinc/34/06/90/130340690.db2.gz	NSSMLVATKBLRAH-NPJIAGGLSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccnc1	ZINC000102881292	130358172	/nfs/dbraw/zinc/35/81/72/130358172.db2.gz	PAWGHLCTHHOFNB-NXLSWJSLSA-N	0	3	465.594	4.188	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)cc1Cl	ZINC000102882444	130360893	/nfs/dbraw/zinc/36/08/93/130360893.db2.gz	DBYWOSPIJOKPFZ-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102892242	130374227	/nfs/dbraw/zinc/37/42/27/130374227.db2.gz	QETOEYWJALGRFZ-CRJQIMHWSA-N	0	3	478.589	4.172	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1	ZINC000036305666	518301328	/nfs/dbraw/zinc/30/13/28/518301328.db2.gz	OFLKBUAGRRACTP-QHCPKHFHSA-N	0	3	475.589	4.111	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036307820	518309757	/nfs/dbraw/zinc/30/97/57/518309757.db2.gz	HFWKSULFYIDTNH-HSZRJFAPSA-N	0	3	463.553	4.241	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C	ZINC000036307605	518310359	/nfs/dbraw/zinc/31/03/59/518310359.db2.gz	JPERHNGOOPZNAY-JOCHJYFZSA-N	0	3	451.542	4.240	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C	ZINC000036305980	518310953	/nfs/dbraw/zinc/31/09/53/518310953.db2.gz	JBXFGUVFQFCCRF-HSZRJFAPSA-N	0	3	477.605	4.357	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000009339617	519011828	/nfs/dbraw/zinc/01/18/28/519011828.db2.gz	OUAGWBJICIZZDA-IUKMQXEJSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000016213006	519043213	/nfs/dbraw/zinc/04/32/13/519043213.db2.gz	ISOGZIFTMLLTJJ-RUZDIDTESA-N	0	3	494.588	4.107	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000016247309	519048318	/nfs/dbraw/zinc/04/83/18/519048318.db2.gz	QWBZLWFHGFNLAM-QFIPXVFZSA-N	0	3	470.591	4.242	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000009339573	519060478	/nfs/dbraw/zinc/06/04/78/519060478.db2.gz	WARXGLMITFTTNE-AYWGPLOBSA-N	0	3	452.526	4.154	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000009339583	519060707	/nfs/dbraw/zinc/06/07/07/519060707.db2.gz	VJNHCVZYZFOULA-IUKMQXEJSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)c1	ZINC000009339583	519060715	/nfs/dbraw/zinc/06/07/15/519060715.db2.gz	VJNHCVZYZFOULA-IUKMQXEJSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1ccccc1CN1CCC([C@H](Cc2ccc(F)cc2)N(C)C(=O)COC)CC1	ZINC000011870172	519071461	/nfs/dbraw/zinc/07/14/61/519071461.db2.gz	FBMOBEMNWFAPGB-VWLOTQADSA-N	0	3	454.586	4.319	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009312673	520467932	/nfs/dbraw/zinc/46/79/32/520467932.db2.gz	DSAPKKICXXJGFW-CRJQIMHWSA-N	0	3	478.589	4.172	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000009088261	520648513	/nfs/dbraw/zinc/64/85/13/520648513.db2.gz	KKPCUVYJXBEKRU-MOBKVPTQSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1	ZINC000009313127	520650674	/nfs/dbraw/zinc/65/06/74/520650674.db2.gz	RBRBTWICXYSCKU-NPJIAGGLSA-N	0	3	480.605	4.499	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1	ZINC000009313127	520650682	/nfs/dbraw/zinc/65/06/82/520650682.db2.gz	RBRBTWICXYSCKU-NPJIAGGLSA-N	0	3	480.605	4.499	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009350245	520650703	/nfs/dbraw/zinc/65/07/03/520650703.db2.gz	MTWAPDUKJQTBSZ-AYWGPLOBSA-N	0	3	481.549	4.146	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1OC	ZINC000009244262	520650834	/nfs/dbraw/zinc/65/08/34/520650834.db2.gz	DJJBRAFYJXGBCQ-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020394623	520655969	/nfs/dbraw/zinc/65/59/69/520655969.db2.gz	ZGNNDZZKLIHRRN-QHCPKHFHSA-N	0	3	481.549	4.302	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)cc1	ZINC000020358209	520657788	/nfs/dbraw/zinc/65/77/88/520657788.db2.gz	LJPZMMARTFZUPP-DEOSSOPVSA-N	0	3	466.578	4.347	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)cc1	ZINC000020358209	520657796	/nfs/dbraw/zinc/65/77/96/520657796.db2.gz	LJPZMMARTFZUPP-DEOSSOPVSA-N	0	3	466.578	4.347	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009359104	520856520	/nfs/dbraw/zinc/85/65/20/520856520.db2.gz	STZKFFOXTLEQSR-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)cc1Cl	ZINC000009042923	520874329	/nfs/dbraw/zinc/87/43/29/520874329.db2.gz	BXNCWQKADVZTRQ-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C	ZINC000009236695	521359946	/nfs/dbraw/zinc/35/99/46/521359946.db2.gz	QDYIAAHFKCYNOP-HSZRJFAPSA-N	0	3	495.620	4.246	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000009008255	527175648	/nfs/dbraw/zinc/17/56/48/527175648.db2.gz	BSSZHVWZDHNAEV-XMMPIXPASA-N	0	3	460.578	4.296	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000009008255	527175652	/nfs/dbraw/zinc/17/56/52/527175652.db2.gz	BSSZHVWZDHNAEV-XMMPIXPASA-N	0	3	460.578	4.296	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCCO)Cc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12	ZINC000008918150	554814214	/nfs/dbraw/zinc/81/42/14/554814214.db2.gz	JLMUUZKBHLQEIY-UNLCZIQNSA-N	0	3	457.611	4.202	50	30	biogenic	JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccs1	ZINC000008983328	554847482	/nfs/dbraw/zinc/84/74/82/554847482.db2.gz	UFTHBAYLJUTQTJ-YDJIHCHBSA-N	0	3	454.548	4.266	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000009007872	554861606	/nfs/dbraw/zinc/86/16/06/554861606.db2.gz	HOOKGYWHFDSYGE-SBXHHDGASA-N	0	3	484.568	4.387	50	30		JIEAHN
CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C(C)(C)N1	ZINC000009391514	555154767	/nfs/dbraw/zinc/15/47/67/555154767.db2.gz	XOOFKZJAUMNNMP-UHFFFAOYSA-N	0	3	486.663	4.206	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000019925730	555541221	/nfs/dbraw/zinc/54/12/21/555541221.db2.gz	LGHRGQVRDQYRRU-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000019928938	555544985	/nfs/dbraw/zinc/54/49/85/555544985.db2.gz	PUKHMCPEUXDAEL-DEOSSOPVSA-N	0	3	464.562	4.098	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020133395	555657585	/nfs/dbraw/zinc/65/75/85/555657585.db2.gz	DTONMURUYXZEQQ-HXUWFJFHSA-N	0	3	457.596	4.079	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(OC)c2)cc1	ZINC000020192291	555693335	/nfs/dbraw/zinc/69/33/35/555693335.db2.gz	QAUASNNXAMOBCF-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(OC)c2)cc1	ZINC000020192291	555693339	/nfs/dbraw/zinc/69/33/39/555693339.db2.gz	QAUASNNXAMOBCF-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OC)cc1	ZINC000020219859	555716235	/nfs/dbraw/zinc/71/62/35/555716235.db2.gz	HJPLFIAXIYDKIY-QHCPKHFHSA-N	0	3	478.545	4.370	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Br)c3)oc21	ZINC000020219888	555716554	/nfs/dbraw/zinc/71/65/54/555716554.db2.gz	QDASANCLHYCWRN-FQEVSTJZSA-N	0	3	499.361	4.344	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020232219	555722367	/nfs/dbraw/zinc/72/23/67/555722367.db2.gz	PHVSHQPJWVQDFN-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020232219	555722370	/nfs/dbraw/zinc/72/23/70/555722370.db2.gz	PHVSHQPJWVQDFN-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020262815	555745118	/nfs/dbraw/zinc/74/51/18/555745118.db2.gz	KLAXPNPVIBRFDX-HSZRJFAPSA-N	0	3	470.541	4.153	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020267414	555748698	/nfs/dbraw/zinc/74/86/98/555748698.db2.gz	HKZBVQNTBSJFHF-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1F	ZINC000020288918	555758982	/nfs/dbraw/zinc/75/89/82/555758982.db2.gz	CWCNVKIGFZRSCM-QMHKHESXSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2F)c(C)c1	ZINC000024080763	556119069	/nfs/dbraw/zinc/11/90/69/556119069.db2.gz	OTLXMWSJBWFVEM-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1F	ZINC000016729493	556155207	/nfs/dbraw/zinc/15/52/07/556155207.db2.gz	RZZCFJABHSPYQR-FQEVSTJZSA-N	0	3	491.357	4.127	50	30		JIEAHN
CN(C)[C@@H](CNC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1)c1ccccc1	ZINC000013095678	556288364	/nfs/dbraw/zinc/28/83/64/556288364.db2.gz	OZTKNRBOZVGEMH-QFIPXVFZSA-N	0	3	497.624	4.046	50	30		JIEAHN
C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F	ZINC000036316157	569762025	/nfs/dbraw/zinc/76/20/25/569762025.db2.gz	ASDJVEPCHYCASL-OAQYLSRUSA-N	0	3	469.532	4.380	50	30		JIEAHN
CCCCCCCCCCCCCCCCn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000100674882	569766584	/nfs/dbraw/zinc/76/65/84/569766584.db2.gz	YCLZJAZKOUFGDS-UHFFFAOYSA-N	0	3	474.694	4.314	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCC(C)C	ZINC000102175375	569810670	/nfs/dbraw/zinc/81/06/70/569810670.db2.gz	FZAWKHRYLWBSRT-NXLSWJSLSA-N	0	3	466.578	4.109	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1OC	ZINC000102873973	569826246	/nfs/dbraw/zinc/82/62/46/569826246.db2.gz	MGEBDISFIRYDGY-ZHHPLPSFSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1C	ZINC000102876249	569826597	/nfs/dbraw/zinc/82/65/97/569826597.db2.gz	RQLPGORKYRXWQR-ZZIWUOEGSA-N	0	3	495.620	4.305	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000102928379	569827185	/nfs/dbraw/zinc/82/71/85/569827185.db2.gz	SPYUMDKXUJHDJI-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
C=CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C	ZINC000169679763	569869929	/nfs/dbraw/zinc/86/99/29/569869929.db2.gz	JIOSROFBRKDSSN-JTHBVZDNSA-N	0	3	457.615	4.122	50	30		JIEAHN
CC(C)C1SC(=NN=Cc2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)NC1=O	ZINC000252600751	570085045	/nfs/dbraw/zinc/08/50/45/570085045.db2.gz	DUGHVTNBHLKMIJ-NRFANRHFSA-N	0	3	467.572	4.185	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102858118	130328112	/nfs/dbraw/zinc/32/81/12/130328112.db2.gz	UPAYTXWACFEIIB-NXLSWJSLSA-N	0	3	495.576	4.456	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000102881638	130358661	/nfs/dbraw/zinc/35/86/61/130358661.db2.gz	ORCYHYMEBBEAAM-MRJHHRETSA-N	0	3	487.940	4.020	50	30		JIEAHN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102892243	130374511	/nfs/dbraw/zinc/37/45/11/130374511.db2.gz	QETOEYWJALGRFZ-ONDFOOFZSA-N	0	3	478.589	4.172	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C	ZINC000036305462	518299192	/nfs/dbraw/zinc/29/91/92/518299192.db2.gz	IQCDALDILDGNAC-QFIPXVFZSA-N	0	3	463.578	4.109	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036307817	518300308	/nfs/dbraw/zinc/30/03/08/518300308.db2.gz	HFWKSULFYIDTNH-QHCPKHFHSA-N	0	3	463.553	4.241	50	30		JIEAHN
C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1	ZINC000036305571	518308381	/nfs/dbraw/zinc/30/83/81/518308381.db2.gz	UXOVTGYDWGZNGT-JOCHJYFZSA-N	0	3	463.578	4.111	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1	ZINC000036310197	518712295	/nfs/dbraw/zinc/71/22/95/518712295.db2.gz	BUVWKEDQTSNVEB-QPPBQGQZSA-N	0	3	472.626	4.431	50	30		JIEAHN
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(C)c(C)c3)CC2)C1=O	ZINC000012200326	519342713	/nfs/dbraw/zinc/34/27/13/519342713.db2.gz	CMUCLLYSKBGCCT-MUUNZHRXSA-N	0	3	461.581	4.211	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009272730	520654583	/nfs/dbraw/zinc/65/45/83/520654583.db2.gz	GJRMADGOGSFSLB-DKOVKCOZSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)cc1	ZINC000020440158	520658036	/nfs/dbraw/zinc/65/80/36/520658036.db2.gz	YOVNFQVITCAFOE-QHCPKHFHSA-N	0	3	452.551	4.100	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)cc1	ZINC000020440158	520658049	/nfs/dbraw/zinc/65/80/49/520658049.db2.gz	YOVNFQVITCAFOE-QHCPKHFHSA-N	0	3	452.551	4.100	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1C	ZINC000009271254	520859095	/nfs/dbraw/zinc/85/90/95/520859095.db2.gz	BGIXCHWUDRYJOC-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000009123691	520873863	/nfs/dbraw/zinc/87/38/63/520873863.db2.gz	MRAXKQQMSFMHHZ-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000009184900	522954164	/nfs/dbraw/zinc/95/41/64/522954164.db2.gz	CMCIUMJACJMTHL-VWLOTQADSA-N	0	3	496.604	4.274	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009045066	524051800	/nfs/dbraw/zinc/05/18/00/524051800.db2.gz	AKMNZTXWKAHMGY-NXLSWJSLSA-N	0	3	450.579	4.330	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009045066	524051802	/nfs/dbraw/zinc/05/18/02/524051802.db2.gz	AKMNZTXWKAHMGY-NXLSWJSLSA-N	0	3	450.579	4.330	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Br)c3)oc21	ZINC000008921853	524257713	/nfs/dbraw/zinc/25/77/13/524257713.db2.gz	UTBSHOHXOILPIW-YDJIHCHBSA-N	0	3	499.361	4.187	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102882409	536565364	/nfs/dbraw/zinc/56/53/64/536565364.db2.gz	FHGDEPNLXDUOMM-ZHHPLPSFSA-N	0	3	450.579	4.284	50	30		JIEAHN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000102728006	536884296	/nfs/dbraw/zinc/88/42/96/536884296.db2.gz	IATJVRWGECGLHI-IUKMQXEJSA-N	0	3	496.604	4.117	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000008817151	554699528	/nfs/dbraw/zinc/69/95/28/554699528.db2.gz	GUSAZNPCXUFJRH-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1	ZINC000008838104	554739307	/nfs/dbraw/zinc/73/93/07/554739307.db2.gz	FXCIWIGDNQURRF-QHCPKHFHSA-N	0	3	478.980	4.364	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000008984146	554848192	/nfs/dbraw/zinc/84/81/92/554848192.db2.gz	OHNRHVBJBMGEPX-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1	ZINC000009391513	555154814	/nfs/dbraw/zinc/15/48/14/555154814.db2.gz	UQQAWPNBWHEBPV-UHFFFAOYSA-N	0	3	488.679	4.452	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019928855	555544794	/nfs/dbraw/zinc/54/47/94/555544794.db2.gz	SYSYGMWSHCJXLX-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000019938344	555556183	/nfs/dbraw/zinc/55/61/83/555556183.db2.gz	NAJDSORORAMNHI-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000020057722	555620653	/nfs/dbraw/zinc/62/06/53/555620653.db2.gz	PVBVSXDYNNVVCB-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000020057722	555620654	/nfs/dbraw/zinc/62/06/54/555620654.db2.gz	PVBVSXDYNNVVCB-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020057710	555620678	/nfs/dbraw/zinc/62/06/78/555620678.db2.gz	LPTYGWSHKIOPLA-DEOSSOPVSA-N	0	3	494.588	4.181	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020192573	555693727	/nfs/dbraw/zinc/69/37/27/555693727.db2.gz	ADGPRYVLSLQWSZ-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@H]1c1cccc(F)c1	ZINC000020192992	555693887	/nfs/dbraw/zinc/69/38/87/555693887.db2.gz	CZCAVNMSZJPJDA-XMMPIXPASA-N	0	3	476.552	4.240	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)oc21	ZINC000020219196	555713412	/nfs/dbraw/zinc/71/34/12/555713412.db2.gz	SJZCNUOVHVRGQN-FQEVSTJZSA-N	0	3	454.910	4.235	50	30		JIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219322	555713814	/nfs/dbraw/zinc/71/38/14/555713814.db2.gz	NETVDYFOBYVRNJ-DEOSSOPVSA-N	0	3	464.562	4.111	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219428	555714411	/nfs/dbraw/zinc/71/44/11/555714411.db2.gz	WXBQNYLOBFXMRG-QHCPKHFHSA-N	0	3	478.545	4.370	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)cc3)oc21	ZINC000020219884	555716470	/nfs/dbraw/zinc/71/64/70/555716470.db2.gz	KMTRIWRIUHROAS-FQEVSTJZSA-N	0	3	454.910	4.235	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020233274	555724286	/nfs/dbraw/zinc/72/42/86/555724286.db2.gz	HDAOZRHUHXRODZ-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1	ZINC000020263602	555745867	/nfs/dbraw/zinc/74/58/67/555745867.db2.gz	WGMNEMJMOBNOCR-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020263951	555746164	/nfs/dbraw/zinc/74/61/64/555746164.db2.gz	RMMCQCQOASAKPK-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020267361	555748595	/nfs/dbraw/zinc/74/85/95/555748595.db2.gz	HTRNWUXWJXURCG-IQGLISFBSA-N	0	3	478.589	4.329	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(F)cc1	ZINC000020295187	555763630	/nfs/dbraw/zinc/76/36/30/555763630.db2.gz	IKHLKWMNJFWEDF-WAIKUNEKSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(F)cc1	ZINC000020295187	555763632	/nfs/dbraw/zinc/76/36/32/555763632.db2.gz	IKHLKWMNJFWEDF-WAIKUNEKSA-N	0	3	452.526	4.069	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016805781	556162103	/nfs/dbraw/zinc/16/21/03/556162103.db2.gz	GIPLJTCKBSKYID-XMMPIXPASA-N	0	3	466.578	4.186	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccncc1	ZINC000016944268	556181959	/nfs/dbraw/zinc/18/19/59/556181959.db2.gz	CGAILPUZLGKBLU-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000017196733	556238451	/nfs/dbraw/zinc/23/84/51/556238451.db2.gz	ZHNSOBDBPLMMJG-QRQCRPRQSA-N	0	3	454.954	4.193	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000017196111	556238487	/nfs/dbraw/zinc/23/84/87/556238487.db2.gz	VJWDATICICYQMB-VWLOTQADSA-N	0	3	496.604	4.418	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000078549855	569706297	/nfs/dbraw/zinc/70/62/97/569706297.db2.gz	KVYXPGREQIUCJZ-JOCHJYFZSA-N	0	3	468.506	4.387	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000101313516	569792152	/nfs/dbraw/zinc/79/21/52/569792152.db2.gz	FOIPSURFENQKGQ-SBXHHDGASA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000101313520	569792216	/nfs/dbraw/zinc/79/22/16/569792216.db2.gz	FOIPSURFENQKGQ-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)ccc1OCC(C)C	ZINC000102175508	569810768	/nfs/dbraw/zinc/81/07/68/569810768.db2.gz	SUZPVNMPPWKSSN-NXLSWJSLSA-N	0	3	450.579	4.403	50	30		JIEAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@H]3C2=O)cc1	ZINC000102761482	569822270	/nfs/dbraw/zinc/82/22/70/569822270.db2.gz	NTZYRNMWDDLBAP-DSNGMDLFSA-N	0	3	453.498	4.398	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1	ZINC000105003964	569849391	/nfs/dbraw/zinc/84/93/91/569849391.db2.gz	SRTBBWJEYAAKDI-NFBKMPQASA-N	0	3	460.615	4.431	50	30		JIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@H]4CCO)[C@H]3C[C@H]12	ZINC000217493031	569880164	/nfs/dbraw/zinc/88/01/64/569880164.db2.gz	QAVKKTGTMMWWSF-UYGUMBCJSA-N	0	3	469.622	4.300	50	30	biogenic	JIEAHN
COc1cc2c(cc1OC)[C@H](C)N(C[C@H]1C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]14)CC2	ZINC000012866856	195161731	/nfs/dbraw/zinc/16/17/31/195161731.db2.gz	CQJFZXWCWINNNN-CCRUQSASSA-N	0	3	455.595	4.148	50	30	biogenic	JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(O)c2)cc1	ZINC000102526542	130178710	/nfs/dbraw/zinc/17/87/10/130178710.db2.gz	LKOJTLPCNBPVCG-CJJGVWJISA-N	0	3	486.568	4.263	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000102540957	130196932	/nfs/dbraw/zinc/19/69/32/130196932.db2.gz	QOYGBSQZMOBFRX-MRJHHRETSA-N	0	3	487.940	4.020	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000102545965	130200689	/nfs/dbraw/zinc/20/06/89/130200689.db2.gz	JXKSVOQRHQGGTO-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1	ZINC000102550737	130203591	/nfs/dbraw/zinc/20/35/91/130203591.db2.gz	DXIQJOSTDUNABA-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Cl)c1	ZINC000102858018	130327726	/nfs/dbraw/zinc/32/77/26/130327726.db2.gz	LYNTXHIZRDKROV-XTNNDJGYSA-N	0	3	468.981	4.427	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Cl)c1	ZINC000102858018	130327729	/nfs/dbraw/zinc/32/77/29/130327729.db2.gz	LYNTXHIZRDKROV-XTNNDJGYSA-N	0	3	468.981	4.427	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)c(C)c1	ZINC000102858145	130328132	/nfs/dbraw/zinc/32/81/32/130328132.db2.gz	FRWKQJBTBDWEPH-SBXHHDGASA-N	0	3	466.578	4.253	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102874193	130346119	/nfs/dbraw/zinc/34/61/19/130346119.db2.gz	ORDAOKPAQSHWKL-OBVHCKHUSA-N	0	3	487.387	4.323	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1	ZINC000102876484	130348885	/nfs/dbraw/zinc/34/88/85/130348885.db2.gz	YOMQLMACKXOTOW-AYWGPLOBSA-N	0	3	478.980	4.208	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccnc2)cc1	ZINC000102889203	130370225	/nfs/dbraw/zinc/37/02/25/130370225.db2.gz	PRVFZHWYSJCNMJ-ZHHPLPSFSA-N	0	3	451.567	4.024	50	30		JIEAHN
C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC	ZINC000036305923	518307657	/nfs/dbraw/zinc/30/76/57/518307657.db2.gz	HDUJQGHLDKFUOL-JOCHJYFZSA-N	0	3	463.578	4.111	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C	ZINC000036307408	518310991	/nfs/dbraw/zinc/31/09/91/518310991.db2.gz	XCKCANSGXRVSAD-HSZRJFAPSA-N	0	3	465.569	4.487	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1	ZINC000036310195	518721974	/nfs/dbraw/zinc/72/19/74/518721974.db2.gz	BUVWKEDQTSNVEB-URXFXBBRSA-N	0	3	472.626	4.431	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000011963677	519340329	/nfs/dbraw/zinc/34/03/29/519340329.db2.gz	WOKFSWZIPDZKBD-PMERELPUSA-N	0	3	485.628	4.170	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000009236460	520429719	/nfs/dbraw/zinc/42/97/19/520429719.db2.gz	HOEXWACPUDOSNI-MOBKVPTQSA-N	0	3	472.607	4.309	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000009350126	520652528	/nfs/dbraw/zinc/65/25/28/520652528.db2.gz	BCCQEEFMGDMHMV-IUKMQXEJSA-N	0	3	496.604	4.199	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000009359436	520781933	/nfs/dbraw/zinc/78/19/33/520781933.db2.gz	PFGQYTXXMYQACU-IUKMQXEJSA-N	0	3	496.604	4.199	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009361073	520860689	/nfs/dbraw/zinc/86/06/89/520860689.db2.gz	JKBNAZDJNMRAPJ-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1C	ZINC000009046817	523553641	/nfs/dbraw/zinc/55/36/41/523553641.db2.gz	VPOBTMVTQHDLAD-NRFANRHFSA-N	0	3	487.394	4.296	50	30		JIEAHN
CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000012158139	524022726	/nfs/dbraw/zinc/02/27/26/524022726.db2.gz	PFJIDXRCUNAXKT-IZLXSDGUSA-N	0	3	498.623	4.436	50	30		JIEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009436269	524890741	/nfs/dbraw/zinc/89/07/41/524890741.db2.gz	YABFUKFKFUFNQI-RUZDIDTESA-N	0	3	496.604	4.269	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1	ZINC000009312178	525172222	/nfs/dbraw/zinc/17/22/22/525172222.db2.gz	YMEGUZZVADFHJA-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(O)c2)cc1	ZINC000009311873	525173676	/nfs/dbraw/zinc/17/36/76/525173676.db2.gz	ULTCYYNIRQBUTR-AREMUKBSSA-N	0	3	486.568	4.420	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)C)cc1	ZINC000009068788	527176156	/nfs/dbraw/zinc/17/61/56/527176156.db2.gz	BSSZHVWZDHNAEV-DEOSSOPVSA-N	0	3	460.578	4.296	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C(C)C)cc1	ZINC000009068788	527176163	/nfs/dbraw/zinc/17/61/63/527176163.db2.gz	BSSZHVWZDHNAEV-DEOSSOPVSA-N	0	3	460.578	4.296	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)=C(O)C(=O)N1CCN(CC)CC	ZINC000102523612	535544786	/nfs/dbraw/zinc/54/47/86/535544786.db2.gz	ZVAYRRMZRYGNFD-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000003182590	554428634	/nfs/dbraw/zinc/42/86/34/554428634.db2.gz	CDFAQIZRLYQCEQ-FNFWKMNBSA-N	0	3	476.339	4.324	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1	ZINC000008741024	554643186	/nfs/dbraw/zinc/64/31/86/554643186.db2.gz	ZMPFIKAVDGVLRM-LFVOPCPISA-N	0	3	477.786	4.476	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1C	ZINC000008836636	554736805	/nfs/dbraw/zinc/73/68/05/554736805.db2.gz	AFDXLVOGOMSOHQ-XMMPIXPASA-N	0	3	465.594	4.489	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cc(OC)ccc1OC	ZINC000008836911	554737418	/nfs/dbraw/zinc/73/74/18/554737418.db2.gz	NGHHEXAUKXHUHQ-SBXHHDGASA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000008837528	554738556	/nfs/dbraw/zinc/73/85/56/554738556.db2.gz	JWMVSASNALNLMP-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000008837528	554738559	/nfs/dbraw/zinc/73/85/59/554738559.db2.gz	JWMVSASNALNLMP-NXLSWJSLSA-N	0	3	466.578	4.246	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008838284	554739897	/nfs/dbraw/zinc/73/98/97/554739897.db2.gz	SGNFNWIMVAXGCF-YDJIHCHBSA-N	0	3	457.914	4.012	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000008898324	554788666	/nfs/dbraw/zinc/78/86/66/554788666.db2.gz	SWENVGRTTSFRNL-NRFANRHFSA-N	0	3	487.387	4.480	50	30		JIEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000008996737	554857927	/nfs/dbraw/zinc/85/79/27/554857927.db2.gz	ZSGFGHQYVARSIF-DEOSSOPVSA-N	0	3	482.577	4.021	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C	ZINC000013564602	555499489	/nfs/dbraw/zinc/49/94/89/555499489.db2.gz	ULFYMARQAPKXBG-OAQYLSRUSA-N	0	3	487.394	4.296	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000019928951	555545208	/nfs/dbraw/zinc/54/52/08/555545208.db2.gz	OOFRZLITQGQCQM-RUZDIDTESA-N	0	3	477.605	4.156	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)c(C)c2)=C(O)C(=O)N1CCN(CC)CC	ZINC000020100549	555633509	/nfs/dbraw/zinc/63/35/09/555633509.db2.gz	CSEUIHJFBIYWNR-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000020189733	555690804	/nfs/dbraw/zinc/69/08/04/555690804.db2.gz	OJDIXEZGLYCRMG-QHCPKHFHSA-N	0	3	482.577	4.023	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020189833	555690830	/nfs/dbraw/zinc/69/08/30/555690830.db2.gz	RAQQYZIBDNVDPS-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020189833	555690831	/nfs/dbraw/zinc/69/08/31/555690831.db2.gz	RAQQYZIBDNVDPS-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020192568	555693697	/nfs/dbraw/zinc/69/36/97/555693697.db2.gz	ADGPRYVLSLQWSZ-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020228790	555719490	/nfs/dbraw/zinc/71/94/90/555719490.db2.gz	BBADMMTVKATMTQ-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020232225	555722407	/nfs/dbraw/zinc/72/24/07/555722407.db2.gz	PHVSHQPJWVQDFN-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020232225	555722410	/nfs/dbraw/zinc/72/24/10/555722410.db2.gz	PHVSHQPJWVQDFN-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020233477	555724222	/nfs/dbraw/zinc/72/42/22/555724222.db2.gz	BFFPHBDTPLKJJD-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)C)cc1	ZINC000020265814	555747948	/nfs/dbraw/zinc/74/79/48/555747948.db2.gz	RQULDUQAOFYCDS-XMMPIXPASA-N	0	3	495.620	4.462	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)C)cc1	ZINC000020265814	555747951	/nfs/dbraw/zinc/74/79/51/555747951.db2.gz	RQULDUQAOFYCDS-XMMPIXPASA-N	0	3	495.620	4.462	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020266883	555748393	/nfs/dbraw/zinc/74/83/93/555748393.db2.gz	NURIUPFTKVYABU-VWLOTQADSA-N	0	3	496.604	4.411	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020326013	555772955	/nfs/dbraw/zinc/77/29/55/555772955.db2.gz	CLBKENZEWUDLKC-RUZDIDTESA-N	0	3	494.588	4.167	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000024334077	556129616	/nfs/dbraw/zinc/12/96/16/556129616.db2.gz	SMNNGWUGETURJH-VWLOTQADSA-N	0	3	479.621	4.380	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000024334077	556129620	/nfs/dbraw/zinc/12/96/20/556129620.db2.gz	SMNNGWUGETURJH-VWLOTQADSA-N	0	3	479.621	4.380	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000016734864	556156151	/nfs/dbraw/zinc/15/61/51/556156151.db2.gz	GQNXZSMYEUHGRD-VWLOTQADSA-N	0	3	494.588	4.276	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccncc1	ZINC000013127430	556343483	/nfs/dbraw/zinc/34/34/83/556343483.db2.gz	UCQOUEUTXQZIDM-HSZRJFAPSA-N	0	3	451.567	4.037	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019830627	556397699	/nfs/dbraw/zinc/39/76/99/556397699.db2.gz	FULBZXSKKOXAHF-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccs1	ZINC000102169298	569810419	/nfs/dbraw/zinc/81/04/19/569810419.db2.gz	COBAUMVAVDNXTO-MOBKVPTQSA-N	0	3	456.608	4.465	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000102861323	569825004	/nfs/dbraw/zinc/82/50/04/569825004.db2.gz	HPLRAYNXTDHVPI-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000104232780	569843696	/nfs/dbraw/zinc/84/36/96/569843696.db2.gz	MWJPRLQPPHSTEO-IUKMQXEJSA-N	0	3	496.604	4.173	50	30		JIEAHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000245237027	570057038	/nfs/dbraw/zinc/05/70/38/570057038.db2.gz	CDFAQIZRLYQCEQ-SRBZOADZSA-N	0	3	476.339	4.324	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000009065512	124018636	/nfs/dbraw/zinc/01/86/36/124018636.db2.gz	HOOKGYWHFDSYGE-NXLSWJSLSA-N	0	3	484.568	4.387	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000009353800	124112192	/nfs/dbraw/zinc/11/21/92/124112192.db2.gz	QWNOYNSVTBBQFJ-IUKMQXEJSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1C	ZINC000102518614	130171444	/nfs/dbraw/zinc/17/14/44/130171444.db2.gz	NQMXMNZEAXQZCI-NXLSWJSLSA-N	0	3	466.578	4.253	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000102728859	130272961	/nfs/dbraw/zinc/27/29/61/130272961.db2.gz	YVLIIUIRMJQLGM-IUKMQXEJSA-N	0	3	496.604	4.174	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102879581	130354754	/nfs/dbraw/zinc/35/47/54/130354754.db2.gz	OCWUCPIGVLWPBF-ZZIWUOEGSA-N	0	3	474.605	4.448	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccncc1	ZINC000102883924	130364424	/nfs/dbraw/zinc/36/44/24/130364424.db2.gz	HOQCPQYXLVLBDF-CZNAVJSXSA-N	0	3	485.584	4.342	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1	ZINC000036306612	518310628	/nfs/dbraw/zinc/31/06/28/518310628.db2.gz	HFUVXWNRKRCKQN-XMMPIXPASA-N	0	3	459.590	4.411	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1	ZINC000036309624	518712425	/nfs/dbraw/zinc/71/24/25/518712425.db2.gz	SRTBBWJEYAAKDI-OFNKIYASSA-N	0	3	460.615	4.431	50	30		JIEAHN
C=CCC[C@@H](O)CN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155295	518715932	/nfs/dbraw/zinc/71/59/32/518715932.db2.gz	PCLATKAGWKNKOD-OAQYLSRUSA-N	0	3	467.566	4.134	50	30		JIEAHN
C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cccc(OC)c1OC)CC2	ZINC000012099966	519000503	/nfs/dbraw/zinc/00/05/03/519000503.db2.gz	JQQJAZLANNLAKY-VPUSJEBWSA-N	0	3	496.673	4.343	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC=C)cc2)cc1	ZINC000009239987	519010906	/nfs/dbraw/zinc/01/09/06/519010906.db2.gz	WLHIZXOKDYJUGQ-IUKMQXEJSA-N	0	3	476.573	4.190	50	30		JIEAHN
C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000016751554	519047201	/nfs/dbraw/zinc/04/72/01/519047201.db2.gz	LJYWHUCKKMXJHX-XMMPIXPASA-N	0	3	480.536	4.393	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009350079	519762001	/nfs/dbraw/zinc/76/20/01/519762001.db2.gz	OPHZTNCRQDEMQP-HSZRJFAPSA-N	0	3	481.549	4.160	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009312674	520469338	/nfs/dbraw/zinc/46/93/38/520469338.db2.gz	DSAPKKICXXJGFW-FYPOKDMHSA-N	0	3	478.589	4.172	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008838285	520648678	/nfs/dbraw/zinc/64/86/78/520648678.db2.gz	SGNFNWIMVAXGCF-NHFXJNLRSA-N	0	3	457.914	4.012	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1F	ZINC000009186738	520651216	/nfs/dbraw/zinc/65/12/16/520651216.db2.gz	VXWWKYKCMBIQGA-AYWGPLOBSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1	ZINC000013535213	520657203	/nfs/dbraw/zinc/65/72/03/520657203.db2.gz	MLZKSFRUUTVLBD-RUZDIDTESA-N	0	3	496.604	4.417	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1	ZINC000013535213	520657214	/nfs/dbraw/zinc/65/72/14/520657214.db2.gz	MLZKSFRUUTVLBD-RUZDIDTESA-N	0	3	496.604	4.417	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000021554911	520774999	/nfs/dbraw/zinc/77/49/99/520774999.db2.gz	QNLFRNJVVZXGLM-HSZRJFAPSA-N	0	3	494.544	4.076	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000009302035	520875103	/nfs/dbraw/zinc/87/51/03/520875103.db2.gz	BQNOIUMXDAASPF-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000021486994	520875944	/nfs/dbraw/zinc/87/59/44/520875944.db2.gz	OFIHRDWYQVMJSV-RUZDIDTESA-N	0	3	479.621	4.380	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1	ZINC000021486994	520875947	/nfs/dbraw/zinc/87/59/47/520875947.db2.gz	OFIHRDWYQVMJSV-RUZDIDTESA-N	0	3	479.621	4.380	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009046262	521232863	/nfs/dbraw/zinc/23/28/63/521232863.db2.gz	DYLYWEGLIVPILV-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009046262	521232871	/nfs/dbraw/zinc/23/28/71/521232871.db2.gz	DYLYWEGLIVPILV-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016731016	521239831	/nfs/dbraw/zinc/23/98/31/521239831.db2.gz	JXHBXQVMXJLULW-HSZRJFAPSA-N	0	3	470.541	4.153	50	30		JIEAHN
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000009360087	521578712	/nfs/dbraw/zinc/57/87/12/521578712.db2.gz	BEXBMMHHMZYMCM-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccncc1	ZINC000020392184	524054874	/nfs/dbraw/zinc/05/48/74/524054874.db2.gz	RLKAKARNPVOUES-VWLOTQADSA-N	0	3	471.557	4.191	50	30		JIEAHN
CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102601419	535093393	/nfs/dbraw/zinc/09/33/93/535093393.db2.gz	HWWQTJPKLFANAU-NPJIAGGLSA-N	0	3	494.588	4.010	50	30		JIEAHN
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000008740763	554642853	/nfs/dbraw/zinc/64/28/53/554642853.db2.gz	JGJKETOYFGQWDG-XMMPIXPASA-N	0	3	482.577	4.026	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1	ZINC000008905064	554799300	/nfs/dbraw/zinc/79/93/00/554799300.db2.gz	SCCUFAJCEZHUFP-MOBKVPTQSA-N	0	3	499.405	4.387	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000008914665	554807618	/nfs/dbraw/zinc/80/76/18/554807618.db2.gz	UQSDRUDHRRXHCJ-NXLSWJSLSA-N	0	3	494.588	4.024	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1	ZINC000008921205	554817916	/nfs/dbraw/zinc/81/79/16/554817916.db2.gz	LSXDPMDLSNPBSE-OAQYLSRUSA-N	0	3	487.394	4.296	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000008921949	554818881	/nfs/dbraw/zinc/81/88/81/554818881.db2.gz	MYIBRSBUXHXUBU-OAQYLSRUSA-N	0	3	487.940	4.177	50	30		JIEAHN
C=CCc1ccccc1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1	ZINC000009781790	555502099	/nfs/dbraw/zinc/50/20/99/555502099.db2.gz	XNVACWCCVJPZOD-XMMPIXPASA-N	0	3	484.596	4.316	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000019938544	555556926	/nfs/dbraw/zinc/55/69/26/555556926.db2.gz	QTAYFKLBUVWBFI-QHCPKHFHSA-N	0	3	466.578	4.141	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000020057721	555620665	/nfs/dbraw/zinc/62/06/65/555620665.db2.gz	PVBVSXDYNNVVCB-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000020057721	555620666	/nfs/dbraw/zinc/62/06/66/555620666.db2.gz	PVBVSXDYNNVVCB-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000020057931	555621606	/nfs/dbraw/zinc/62/16/06/555621606.db2.gz	OQAJTDYWBJBODN-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Br)cc1	ZINC000020149917	555665703	/nfs/dbraw/zinc/66/57/03/555665703.db2.gz	YNGULZWWJIGHET-GOSISDBHSA-N	0	3	492.439	4.443	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020193063	555693955	/nfs/dbraw/zinc/69/39/55/555693955.db2.gz	LEIUNCQYMWDTAG-HXUWFJFHSA-N	0	3	457.596	4.079	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Br)cc3)oc21	ZINC000020219886	555716402	/nfs/dbraw/zinc/71/64/02/555716402.db2.gz	VFVWGWYGGVDJNA-FQEVSTJZSA-N	0	3	499.361	4.344	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000020233222	555724279	/nfs/dbraw/zinc/72/42/79/555724279.db2.gz	WIMCCOZJMCNCDA-JOCHJYFZSA-N	0	3	454.954	4.435	50	30		JIEAHN
C=CCSc1nc2ccccc2n1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000023853884	556092798	/nfs/dbraw/zinc/09/27/98/556092798.db2.gz	AEJPGPBLCQYCCW-UHFFFAOYSA-N	0	3	450.564	4.351	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000019771872	556368850	/nfs/dbraw/zinc/36/88/50/556368850.db2.gz	UZGYYJFKHPDGPA-HXUWFJFHSA-N	0	3	457.368	4.369	50	30		JIEAHN
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000019830422	556397677	/nfs/dbraw/zinc/39/76/77/556397677.db2.gz	FNESQMSZAIBTGV-VWLOTQADSA-N	0	3	494.588	4.167	50	30		JIEAHN
C[C@@H]1CC[C@H]2[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000061997614	569609768	/nfs/dbraw/zinc/60/97/68/569609768.db2.gz	LSDFDNALGJDQTF-MVYMRUIUSA-N	0	3	478.555	4.353	50	30	biogenic	JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000078549859	569706315	/nfs/dbraw/zinc/70/63/15/569706315.db2.gz	KVYXPGREQIUCJZ-QFIPXVFZSA-N	0	3	468.506	4.387	50	30		JIEAHN
CCOC(=O)[C@@H]1CCCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)C1	ZINC000036408645	569775466	/nfs/dbraw/zinc/77/54/66/569775466.db2.gz	HLRGOZJMESLHHD-NVXWUHKLSA-N	0	3	476.396	4.024	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C	ZINC000036341976	569765021	/nfs/dbraw/zinc/76/50/21/569765021.db2.gz	KRJOEMCBXIWSDP-DEOSSOPVSA-N	0	3	477.605	4.450	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000101287628	569789535	/nfs/dbraw/zinc/78/95/35/569789535.db2.gz	WUOJUTMXNRPAPO-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000101313433	569792113	/nfs/dbraw/zinc/79/21/13/569792113.db2.gz	ISSBDNJMBZMQBU-IUKMQXEJSA-N	0	3	478.589	4.412	50	30		JIEAHN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102076676	569809424	/nfs/dbraw/zinc/80/94/24/569809424.db2.gz	OQMIVSKGJCAITR-ONLXDWTESA-N	0	3	492.616	4.418	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1C	ZINC000102928249	569827243	/nfs/dbraw/zinc/82/72/43/569827243.db2.gz	JFMUBDYXDAWJAB-NXLSWJSLSA-N	0	3	465.594	4.332	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009357632	124115267	/nfs/dbraw/zinc/11/52/67/124115267.db2.gz	BGRDULFUQAJLCI-IUKMQXEJSA-N	0	3	480.605	4.494	50	30		JIEAHN
Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(Br)cc1	ZINC000058967121	195386764	/nfs/dbraw/zinc/38/67/64/195386764.db2.gz	GKFYRKDERAZCBH-UHFFFAOYSA-N	0	3	466.383	4.019	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102511110	130164819	/nfs/dbraw/zinc/16/48/19/130164819.db2.gz	QQSPHTSHFSPCPG-NHFXJNLRSA-N	0	3	457.914	4.012	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102534501	130188838	/nfs/dbraw/zinc/18/88/38/130188838.db2.gz	IRBWMGWQWVSBBA-ZZIWUOEGSA-N	0	3	474.605	4.314	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102534501	130188840	/nfs/dbraw/zinc/18/88/40/130188840.db2.gz	IRBWMGWQWVSBBA-ZZIWUOEGSA-N	0	3	474.605	4.314	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1	ZINC000102550731	130203695	/nfs/dbraw/zinc/20/36/95/130203695.db2.gz	DXIQJOSTDUNABA-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102880496	130356222	/nfs/dbraw/zinc/35/62/22/130356222.db2.gz	YAGBYYOWOYSTDE-YDJIHCHBSA-N	0	3	457.914	4.012	50	30		JIEAHN
C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1	ZINC000036306289	518307377	/nfs/dbraw/zinc/30/73/77/518307377.db2.gz	BILDBYIZCWFQPQ-JOCHJYFZSA-N	0	3	463.578	4.111	50	30		JIEAHN
C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1	ZINC000036307737	518308009	/nfs/dbraw/zinc/30/80/09/518308009.db2.gz	XHZVTNOFUHQWQT-JOCHJYFZSA-N	0	3	451.542	4.241	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009271187	519060301	/nfs/dbraw/zinc/06/03/01/519060301.db2.gz	MPKGJQPFYUGKMB-MOBKVPTQSA-N	0	3	454.954	4.278	50	30		JIEAHN
C=CCOc1ccccc1CN1CCC([C@@H](Cc2ccc(F)cc2)N(C)C(=O)COC)CC1	ZINC000011870174	519071079	/nfs/dbraw/zinc/07/10/79/519071079.db2.gz	FBMOBEMNWFAPGB-RUZDIDTESA-N	0	3	454.586	4.319	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C1=O	ZINC000012132825	519339824	/nfs/dbraw/zinc/33/98/24/519339824.db2.gz	QDIUGJUTZKZFEV-MEQIQYKBSA-N	0	3	455.602	4.359	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(OC)c(C)c3C)CC2)C1=O	ZINC000014878678	519340944	/nfs/dbraw/zinc/34/09/44/519340944.db2.gz	QJQHREKOEHFXCK-LJAQVGFWSA-N	0	3	491.607	4.220	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCN(Cc3cccc(OC)c3)CC2)C1=O	ZINC000012208304	519340981	/nfs/dbraw/zinc/34/09/81/519340981.db2.gz	ZEBSUFUIHWKUQH-LJAQVGFWSA-N	0	3	473.617	4.244	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009135595	520464846	/nfs/dbraw/zinc/46/48/46/520464846.db2.gz	KXMJVMCZRPMKFF-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009357650	520652268	/nfs/dbraw/zinc/65/22/68/520652268.db2.gz	VIIBHAJOMLZOAR-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009357650	520652277	/nfs/dbraw/zinc/65/22/77/520652277.db2.gz	VIIBHAJOMLZOAR-IUKMQXEJSA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccncc1	ZINC000009359750	520654100	/nfs/dbraw/zinc/65/41/00/520654100.db2.gz	ZOYMLWRWTYTGLO-CZNAVJSXSA-N	0	3	485.584	4.424	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1OC	ZINC000020461164	520656243	/nfs/dbraw/zinc/65/62/43/520656243.db2.gz	UPIVDVIGMUYSFY-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1	ZINC000009243657	520856639	/nfs/dbraw/zinc/85/66/39/520856639.db2.gz	IZECVWKPTYLJTB-XMMPIXPASA-N	0	3	466.578	4.404	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009244295	520859546	/nfs/dbraw/zinc/85/95/46/520859546.db2.gz	VHRPXXGWNHGVQX-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000009353796	521234873	/nfs/dbraw/zinc/23/48/73/521234873.db2.gz	QWNOYNSVTBBQFJ-NPJIAGGLSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016732133	521265308	/nfs/dbraw/zinc/26/53/08/521265308.db2.gz	BRLBIYBIBNIBBE-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000016732133	521265313	/nfs/dbraw/zinc/26/53/13/521265313.db2.gz	BRLBIYBIBNIBBE-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020461488	524033775	/nfs/dbraw/zinc/03/37/75/524033775.db2.gz	RSSDXCRPFRKGAB-XMMPIXPASA-N	0	3	450.579	4.424	50	30		JIEAHN
Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1	ZINC000009313125	525173274	/nfs/dbraw/zinc/17/32/74/525173274.db2.gz	LMWDVAPFJMHALB-SANMLTNESA-N	0	3	486.568	4.420	50	30		JIEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000008900686	554793381	/nfs/dbraw/zinc/79/33/81/554793381.db2.gz	AVNXAABACLXLBM-ZHHPLPSFSA-N	0	3	450.579	4.366	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(O)cc3)cc2)c1	ZINC000013569227	555507585	/nfs/dbraw/zinc/50/75/85/555507585.db2.gz	RQRLGQTWOFEPAW-AREMUKBSSA-N	0	3	486.568	4.420	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000013614788	555535651	/nfs/dbraw/zinc/53/56/51/555535651.db2.gz	NEWOSNGZBCRNPE-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000013614788	555535653	/nfs/dbraw/zinc/53/56/53/555535653.db2.gz	NEWOSNGZBCRNPE-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000019928788	555544640	/nfs/dbraw/zinc/54/46/40/555544640.db2.gz	WSJNCELKNHSFLP-VWLOTQADSA-N	0	3	494.588	4.107	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000019938343	555556048	/nfs/dbraw/zinc/55/60/48/555556048.db2.gz	NAJDSORORAMNHI-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019938504	555556574	/nfs/dbraw/zinc/55/65/74/555556574.db2.gz	CBUCKVOEBHIPQJ-CJAUYULYSA-N	0	3	476.573	4.105	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000019972612	555574344	/nfs/dbraw/zinc/57/43/44/555574344.db2.gz	OVSMYQYEYJNACU-DEOSSOPVSA-N	0	3	482.577	4.028	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020057662	555620663	/nfs/dbraw/zinc/62/06/63/555620663.db2.gz	OKWPUKXXAQESMP-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000020134686	555659428	/nfs/dbraw/zinc/65/94/28/555659428.db2.gz	YGPTVZWEBNZFSG-XMMPIXPASA-N	0	3	478.545	4.370	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Br)c1	ZINC000020135394	555660081	/nfs/dbraw/zinc/66/00/81/555660081.db2.gz	RERHRWUGIABRCD-GOSISDBHSA-N	0	3	463.397	4.431	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Br)cc1	ZINC000020171188	555680526	/nfs/dbraw/zinc/68/05/26/555680526.db2.gz	ASZJASLPKOUCOI-SFHVURJKSA-N	0	3	463.397	4.431	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020193400	555694567	/nfs/dbraw/zinc/69/45/67/555694567.db2.gz	REZVSQGTWUBDLO-QFIPXVFZSA-N	0	3	454.954	4.435	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(F)cc3)oc21	ZINC000020219191	555713350	/nfs/dbraw/zinc/71/33/50/555713350.db2.gz	OYDPWFDRSUQYOM-OAQYLSRUSA-N	0	3	452.482	4.111	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000020219441	555714527	/nfs/dbraw/zinc/71/45/27/555714527.db2.gz	SFRHDZTXJXBFPL-HSZRJFAPSA-N	0	3	452.551	4.012	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020219876	555716479	/nfs/dbraw/zinc/71/64/79/555716479.db2.gz	TXGHQFYNUBNMQZ-JOCHJYFZSA-N	0	3	493.516	4.270	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000020230002	555720695	/nfs/dbraw/zinc/72/06/95/555720695.db2.gz	MPSQZLAFFJOSJD-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000020230002	555720697	/nfs/dbraw/zinc/72/06/97/555720697.db2.gz	MPSQZLAFFJOSJD-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020233473	555724217	/nfs/dbraw/zinc/72/42/17/555724217.db2.gz	BFFPHBDTPLKJJD-DEOSSOPVSA-N	0	3	466.578	4.404	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020233278	555724257	/nfs/dbraw/zinc/72/42/57/555724257.db2.gz	HDAOZRHUHXRODZ-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020263538	555745880	/nfs/dbraw/zinc/74/58/80/555745880.db2.gz	ADJOHTDXYLXTAA-NRFANRHFSA-N	0	3	458.580	4.076	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020265162	555747253	/nfs/dbraw/zinc/74/72/53/555747253.db2.gz	DOWOCTHOQHINDO-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020265162	555747256	/nfs/dbraw/zinc/74/72/56/555747256.db2.gz	DOWOCTHOQHINDO-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020265165	555747379	/nfs/dbraw/zinc/74/73/79/555747379.db2.gz	DOWOCTHOQHINDO-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020265165	555747380	/nfs/dbraw/zinc/74/73/80/555747380.db2.gz	DOWOCTHOQHINDO-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1	ZINC000012573850	556074602	/nfs/dbraw/zinc/07/46/02/556074602.db2.gz	KMUSSIPBWVHKNK-IBGZPJMESA-N	0	3	461.331	4.118	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000024081392	556120587	/nfs/dbraw/zinc/12/05/87/556120587.db2.gz	SYNDDPGPJOVQIR-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000024081392	556120592	/nfs/dbraw/zinc/12/05/92/556120592.db2.gz	SYNDDPGPJOVQIR-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccncc1	ZINC000016944265	556181895	/nfs/dbraw/zinc/18/18/95/556181895.db2.gz	CGAILPUZLGKBLU-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
COc1ccccc1Nc1nn(CN(CCN(C)C)Cc2ccc(C#N)cc2)c(=S)s1	ZINC000062580001	569611665	/nfs/dbraw/zinc/61/16/65/569611665.db2.gz	MMIHWVOFSBMXRG-UHFFFAOYSA-N	0	3	454.625	4.319	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C(C)C	ZINC000036315988	569761903	/nfs/dbraw/zinc/76/19/03/569761903.db2.gz	CNGRIPUCXAYWNN-NRFANRHFSA-N	0	3	469.532	4.379	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000101313453	569791964	/nfs/dbraw/zinc/79/19/64/569791964.db2.gz	RYAHZGUPTUJLBS-SBXHHDGASA-N	0	3	464.562	4.022	50	30		JIEAHN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000102856873	569824521	/nfs/dbraw/zinc/82/45/21/569824521.db2.gz	FHXCECOEYSRUIB-NYSCORLISA-N	0	3	454.954	4.037	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1	ZINC000245325657	570064465	/nfs/dbraw/zinc/06/44/65/570064465.db2.gz	BUVWKEDQTSNVEB-XUZZJYLKSA-N	0	3	472.626	4.431	50	30		JIEAHN
C=CCC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1	ZINC000248133280	570075159	/nfs/dbraw/zinc/07/51/59/570075159.db2.gz	LRLHTEWKDIRVOX-GBXCKJPGSA-N	0	3	472.651	4.301	50	30		JIEAHN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102549777	130202809	/nfs/dbraw/zinc/20/28/09/130202809.db2.gz	NHEVPMVVLMAKBN-IUKMQXEJSA-N	0	3	494.588	4.010	50	30		JIEAHN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000102728008	130272545	/nfs/dbraw/zinc/27/25/45/130272545.db2.gz	IATJVRWGECGLHI-NPJIAGGLSA-N	0	3	496.604	4.117	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)c(C)c1	ZINC000102858143	130328319	/nfs/dbraw/zinc/32/83/19/130328319.db2.gz	FRWKQJBTBDWEPH-NXLSWJSLSA-N	0	3	466.578	4.253	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000102863607	130335172	/nfs/dbraw/zinc/33/51/72/130335172.db2.gz	AJQZDSTUUPIOJD-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000102863607	130335174	/nfs/dbraw/zinc/33/51/74/130335174.db2.gz	AJQZDSTUUPIOJD-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1	ZINC000102867603	130340837	/nfs/dbraw/zinc/34/08/37/130340837.db2.gz	HHJFNABUEYLBKK-AYWGPLOBSA-N	0	3	451.567	4.024	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102876901	130349405	/nfs/dbraw/zinc/34/94/05/130349405.db2.gz	QRDRPRZWILLYFB-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102876901	130349406	/nfs/dbraw/zinc/34/94/06/130349406.db2.gz	QRDRPRZWILLYFB-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102892248	130374376	/nfs/dbraw/zinc/37/43/76/130374376.db2.gz	QETOEYWJALGRFZ-FYPOKDMHSA-N	0	3	478.589	4.172	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020327293	517335450	/nfs/dbraw/zinc/33/54/50/517335450.db2.gz	RQAVDMOYMXSNOP-BCHFMIIMSA-N	0	3	490.600	4.495	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C	ZINC000036306131	518300139	/nfs/dbraw/zinc/30/01/39/518300139.db2.gz	XDNJNXCWGNZKJV-QFIPXVFZSA-N	0	3	463.578	4.109	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1	ZINC000036307350	518310377	/nfs/dbraw/zinc/31/03/77/518310377.db2.gz	DNNXOQHSFWERIJ-HSZRJFAPSA-N	0	3	463.553	4.241	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000016735789	519046219	/nfs/dbraw/zinc/04/62/19/519046219.db2.gz	CCWRYUKGEZCMOS-VWLOTQADSA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009313066	519059850	/nfs/dbraw/zinc/05/98/50/519059850.db2.gz	QNIKDAMRJMIGQC-AVRWGWEMSA-N	0	3	476.573	4.105	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1OC	ZINC000009244261	520651324	/nfs/dbraw/zinc/65/13/24/520651324.db2.gz	DJJBRAFYJXGBCQ-SBXHHDGASA-N	0	3	466.578	4.246	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000009328277	520857466	/nfs/dbraw/zinc/85/74/66/520857466.db2.gz	DQRQPRHCDVXWTD-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1Cl	ZINC000009122113	520874088	/nfs/dbraw/zinc/87/40/88/520874088.db2.gz	XEFAJPYWBSJKOR-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000016732136	521236079	/nfs/dbraw/zinc/23/60/79/521236079.db2.gz	BRLBIYBIBNIBBE-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000016732136	521236085	/nfs/dbraw/zinc/23/60/85/521236085.db2.gz	BRLBIYBIBNIBBE-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000009184901	522919472	/nfs/dbraw/zinc/91/94/72/522919472.db2.gz	CMCIUMJACJMTHL-RUZDIDTESA-N	0	3	496.604	4.274	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C	ZINC000009046136	523552505	/nfs/dbraw/zinc/55/25/05/523552505.db2.gz	ULFYMARQAPKXBG-NRFANRHFSA-N	0	3	487.394	4.296	50	30		JIEAHN
CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1	ZINC000014985679	523953493	/nfs/dbraw/zinc/95/34/93/523953493.db2.gz	PREVSEQKHSABLO-LJAQVGFWSA-N	0	3	498.671	4.138	50	30		JIEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000006199014	527117671	/nfs/dbraw/zinc/11/76/71/527117671.db2.gz	PPKOLSBCJFQMSI-KRWDZBQOSA-N	0	3	470.982	4.281	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccncc1	ZINC000102892186	535833474	/nfs/dbraw/zinc/83/34/74/535833474.db2.gz	NWGPVAFCDDECDN-NPJIAGGLSA-N	0	3	471.557	4.034	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cc(OC)ccc1OC	ZINC000008816831	554698964	/nfs/dbraw/zinc/69/89/64/554698964.db2.gz	IOZKCKUQQJVVSF-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccnc1	ZINC000008818400	554702208	/nfs/dbraw/zinc/70/22/08/554702208.db2.gz	HMOJGTARICOGSB-RUZDIDTESA-N	0	3	471.557	4.109	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000008836069	554735601	/nfs/dbraw/zinc/73/56/01/554735601.db2.gz	YTVAFKLOWUWBNM-OAQYLSRUSA-N	0	3	466.969	4.135	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000008836069	554735605	/nfs/dbraw/zinc/73/56/05/554735605.db2.gz	YTVAFKLOWUWBNM-OAQYLSRUSA-N	0	3	466.969	4.135	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	ZINC000008837330	554738065	/nfs/dbraw/zinc/73/80/65/554738065.db2.gz	VSZCMGBPKSUXRR-DEOSSOPVSA-N	0	3	495.576	4.468	50	30		JIEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000008921297	554818168	/nfs/dbraw/zinc/81/81/68/554818168.db2.gz	CUQDHAHPDSXPDZ-HSZRJFAPSA-N	0	3	452.551	4.012	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000009007513	554860558	/nfs/dbraw/zinc/86/05/58/554860558.db2.gz	RCHRTQUTASDVFS-HSZRJFAPSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000013552188	555492523	/nfs/dbraw/zinc/49/25/23/555492523.db2.gz	YBERLEYCGKUKAN-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000013552188	555492525	/nfs/dbraw/zinc/49/25/25/555492525.db2.gz	YBERLEYCGKUKAN-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)cc1C	ZINC000019928772	555544708	/nfs/dbraw/zinc/54/47/08/555544708.db2.gz	SGGMSQKLVHXOQB-QHCPKHFHSA-N	0	3	452.526	4.229	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000020057967	555621629	/nfs/dbraw/zinc/62/16/29/555621629.db2.gz	IHZMSQUOCCMQFL-DEOSSOPVSA-N	0	3	450.579	4.486	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000020057967	555621632	/nfs/dbraw/zinc/62/16/32/555621632.db2.gz	IHZMSQUOCCMQFL-DEOSSOPVSA-N	0	3	450.579	4.486	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OC)c1	ZINC000020219862	555716184	/nfs/dbraw/zinc/71/61/84/555716184.db2.gz	SHJFBXLTHHELOZ-HSZRJFAPSA-N	0	3	478.545	4.370	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1	ZINC000020263605	555745839	/nfs/dbraw/zinc/74/58/39/555745839.db2.gz	WGMNEMJMOBNOCR-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020263907	555746259	/nfs/dbraw/zinc/74/62/59/555746259.db2.gz	UHTCMABPHIAULW-HSZRJFAPSA-N	0	3	452.526	4.311	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024080739	556119043	/nfs/dbraw/zinc/11/90/43/556119043.db2.gz	LSEQPFDFQOFUSD-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)cc2)c(C)c1	ZINC000024080739	556119045	/nfs/dbraw/zinc/11/90/45/556119045.db2.gz	LSEQPFDFQOFUSD-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000024081332	556120188	/nfs/dbraw/zinc/12/01/88/556120188.db2.gz	XMGYDBGXGBGGLQ-XMMPIXPASA-N	0	3	464.562	4.098	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1	ZINC000017138338	556224420	/nfs/dbraw/zinc/22/44/20/556224420.db2.gz	LYVKLQHOKAEWGG-VWLOTQADSA-N	0	3	471.557	4.109	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1	ZINC000013127402	556343517	/nfs/dbraw/zinc/34/35/17/556343517.db2.gz	VEZUZRATIHZVNW-RUZDIDTESA-N	0	3	471.557	4.191	50	30		JIEAHN
C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCN(c6cccc(C(F)(F)F)c6)CC5)[C@H]4C[C@@]13O2	ZINC000061992811	569609567	/nfs/dbraw/zinc/60/95/67/569609567.db2.gz	VAHQZWVSRMRMDP-YHGKRWFNSA-N	0	3	478.555	4.497	50	30	biogenic	JIEAHN
N#Cc1ccc2c(c1)ncc(S(=O)(=O)c1ccc(F)cc1)c2N1CCC(CN2CCCC2)CC1	ZINC000071775260	569698135	/nfs/dbraw/zinc/69/81/35/569698135.db2.gz	BERFJEFPQKOSDR-UHFFFAOYSA-N	0	3	478.593	4.391	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C(C)C	ZINC000036315989	569761889	/nfs/dbraw/zinc/76/18/89/569761889.db2.gz	CNGRIPUCXAYWNN-OAQYLSRUSA-N	0	3	469.532	4.379	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1	ZINC000036316173	569762347	/nfs/dbraw/zinc/76/23/47/569762347.db2.gz	HHAFIUYEAZFMDZ-JOCHJYFZSA-N	0	3	481.543	4.380	50	30		JIEAHN
CCOC(=O)[C@H]1CCCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)C1	ZINC000036408646	569775445	/nfs/dbraw/zinc/77/54/45/569775445.db2.gz	HLRGOZJMESLHHD-DOTOQJQBSA-N	0	3	476.396	4.024	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000101313447	569791996	/nfs/dbraw/zinc/79/19/96/569791996.db2.gz	RYAHZGUPTUJLBS-NXLSWJSLSA-N	0	3	464.562	4.022	50	30		JIEAHN
CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102076671	569809409	/nfs/dbraw/zinc/80/94/09/569809409.db2.gz	OQMIVSKGJCAITR-KXCNXCNDSA-N	0	3	492.616	4.418	50	30		JIEAHN
CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102076683	569809413	/nfs/dbraw/zinc/80/94/13/569809413.db2.gz	OQMIVSKGJCAITR-NKHPTUSLSA-N	0	3	492.616	4.418	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000102865298	569825542	/nfs/dbraw/zinc/82/55/42/569825542.db2.gz	GAWAAZITCKRBNI-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102865339	569825620	/nfs/dbraw/zinc/82/56/20/569825620.db2.gz	ARUYIKKIYHHZKI-CRJQIMHWSA-N	0	3	478.589	4.172	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Br)cc1	ZINC000102538776	130193456	/nfs/dbraw/zinc/19/34/56/130193456.db2.gz	DHSLXWMKHGBOSV-SELCWUDQSA-N	0	3	492.439	4.286	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Br)cc1	ZINC000102538781	130193672	/nfs/dbraw/zinc/19/36/72/130193672.db2.gz	DHSLXWMKHGBOSV-GHNGSUTGSA-N	0	3	492.439	4.286	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Cl)c1	ZINC000102858023	130328120	/nfs/dbraw/zinc/32/81/20/130328120.db2.gz	LYNTXHIZRDKROV-KZVIGXRYSA-N	0	3	468.981	4.427	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Cl)c1	ZINC000102858023	130328124	/nfs/dbraw/zinc/32/81/24/130328124.db2.gz	LYNTXHIZRDKROV-KZVIGXRYSA-N	0	3	468.981	4.427	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000102880167	130355648	/nfs/dbraw/zinc/35/56/48/130355648.db2.gz	OSUWXFKYCRFYSE-SBXHHDGASA-N	0	3	484.568	4.387	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102880499	130356436	/nfs/dbraw/zinc/35/64/36/130356436.db2.gz	YAGBYYOWOYSTDE-NHFXJNLRSA-N	0	3	457.914	4.012	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1	ZINC000102897006	130379418	/nfs/dbraw/zinc/37/94/18/130379418.db2.gz	HRQCPWKFKGVHHW-IUKMQXEJSA-N	0	3	471.557	4.034	50	30		JIEAHN
C=CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1	ZINC000036246125	518982761	/nfs/dbraw/zinc/98/27/61/518982761.db2.gz	IJURBRCWDOPREM-SANMLTNESA-N	0	3	491.632	4.306	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC=C)cc2)cc1	ZINC000020234003	519018999	/nfs/dbraw/zinc/01/89/99/519018999.db2.gz	DWANYOQDEHZIMU-RUZDIDTESA-N	0	3	476.573	4.346	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009177916	520430486	/nfs/dbraw/zinc/43/04/86/520430486.db2.gz	SFWFBFLKSOZNIC-IUKMQXEJSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Br)cc1	ZINC000009041713	520653138	/nfs/dbraw/zinc/65/31/38/520653138.db2.gz	QPYSQDJIXRMSPB-GHNGSUTGSA-N	0	3	463.397	4.274	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Br)c1	ZINC000009071595	520654184	/nfs/dbraw/zinc/65/41/84/520654184.db2.gz	PIFBTSGPISXQTD-GHNGSUTGSA-N	0	3	463.397	4.274	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Br)c1	ZINC000009174341	521756358	/nfs/dbraw/zinc/75/63/58/521756358.db2.gz	IJKOTZBWKWAMCI-YDJIHCHBSA-N	0	3	469.335	4.179	50	30		JIEAHN
Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccnc1	ZINC000009271540	525373544	/nfs/dbraw/zinc/37/35/44/525373544.db2.gz	TYAFDFSPBCZZMA-SANMLTNESA-N	0	3	485.584	4.499	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2OC)cc1C	ZINC000008817304	554700112	/nfs/dbraw/zinc/70/01/12/554700112.db2.gz	GNFJDCLXJXBXLS-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000008817438	554700396	/nfs/dbraw/zinc/70/03/96/554700396.db2.gz	IFPCEAZTKNHYSW-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000008817438	554700398	/nfs/dbraw/zinc/70/03/98/554700398.db2.gz	IFPCEAZTKNHYSW-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000008818087	554701493	/nfs/dbraw/zinc/70/14/93/554701493.db2.gz	PAMHDJJTTUNFOY-IUKMQXEJSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000008818087	554701496	/nfs/dbraw/zinc/70/14/96/554701496.db2.gz	PAMHDJJTTUNFOY-IUKMQXEJSA-N	0	3	496.604	4.174	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1C	ZINC000008818071	554701535	/nfs/dbraw/zinc/70/15/35/554701535.db2.gz	GNFJDCLXJXBXLS-RUZDIDTESA-N	0	3	496.604	4.331	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1	ZINC000008895088	554784701	/nfs/dbraw/zinc/78/47/01/554784701.db2.gz	KZIWVLZHGLCXMV-YDJIHCHBSA-N	0	3	475.358	4.352	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1	ZINC000008895088	554784702	/nfs/dbraw/zinc/78/47/02/554784702.db2.gz	KZIWVLZHGLCXMV-YDJIHCHBSA-N	0	3	475.358	4.352	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccnc3)cc2)c1	ZINC000008914132	554807066	/nfs/dbraw/zinc/80/70/66/554807066.db2.gz	YSBGUCAKVSWCGN-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000009007592	554861037	/nfs/dbraw/zinc/86/10/37/554861037.db2.gz	OVWYEIVLZLLZPP-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1	ZINC000013513813	555484854	/nfs/dbraw/zinc/48/48/54/555484854.db2.gz	SAZMHBDEKVVGIQ-JOCHJYFZSA-N	0	3	470.953	4.031	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccncc1	ZINC000013582492	555520161	/nfs/dbraw/zinc/52/01/61/555520161.db2.gz	GRFNDSMMXFEBPJ-XMMPIXPASA-N	0	3	465.594	4.345	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000019867890	555522300	/nfs/dbraw/zinc/52/23/00/555522300.db2.gz	QPDSVPYWWGSDAN-QZOYNPEPSA-N	0	3	464.562	4.024	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)c(C)c1	ZINC000019885615	555528735	/nfs/dbraw/zinc/52/87/35/555528735.db2.gz	FTVOCGWGRFASGZ-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000019928721	555544300	/nfs/dbraw/zinc/54/43/00/555544300.db2.gz	KVEOYIUSCDJSFF-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000019928785	555544763	/nfs/dbraw/zinc/54/47/63/555544763.db2.gz	LZUBTCJJOQXXIP-RUZDIDTESA-N	0	3	477.605	4.156	50	30		JIEAHN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019938501	555556639	/nfs/dbraw/zinc/55/66/39/555556639.db2.gz	JFCIWKJBZOPBCN-RUZDIDTESA-N	0	3	494.588	4.167	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1	ZINC000020188892	555690541	/nfs/dbraw/zinc/69/05/41/555690541.db2.gz	DRIFINPPLLHONK-NRFANRHFSA-N	0	3	487.394	4.378	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1	ZINC000020188892	555690542	/nfs/dbraw/zinc/69/05/42/555690542.db2.gz	DRIFINPPLLHONK-NRFANRHFSA-N	0	3	487.394	4.378	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccccc3F)oc21	ZINC000020219183	555713495	/nfs/dbraw/zinc/71/34/95/555713495.db2.gz	WXBNGQXQBDSVFI-OAQYLSRUSA-N	0	3	452.482	4.111	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020219472	555714456	/nfs/dbraw/zinc/71/44/56/555714456.db2.gz	JWAKNVUFIGGJNV-XMMPIXPASA-N	0	3	482.577	4.021	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020233843	555724997	/nfs/dbraw/zinc/72/49/97/555724997.db2.gz	FGJLZFWEUWIMMY-DEOSSOPVSA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020264612	555746803	/nfs/dbraw/zinc/74/68/03/555746803.db2.gz	JHLAYYDKXDRVJI-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1OCC	ZINC000020280653	555751542	/nfs/dbraw/zinc/75/15/42/555751542.db2.gz	ZPJSXQBQOZLPBV-NRFANRHFSA-N	0	3	458.580	4.076	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020327299	555773664	/nfs/dbraw/zinc/77/36/64/555773664.db2.gz	RQAVDMOYMXSNOP-NIYFSFCBSA-N	0	3	490.600	4.495	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1F	ZINC000016729490	556155318	/nfs/dbraw/zinc/15/53/18/556155318.db2.gz	RZZCFJABHSPYQR-HXUWFJFHSA-N	0	3	491.357	4.127	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000017196108	556238471	/nfs/dbraw/zinc/23/84/71/556238471.db2.gz	VJWDATICICYQMB-RUZDIDTESA-N	0	3	496.604	4.418	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)CC1	ZINC000061997032	569609820	/nfs/dbraw/zinc/60/98/20/569609820.db2.gz	XVZKHNJQQWAJGA-STAAVOPWSA-N	0	3	459.030	4.297	50	30	biogenic	JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102169149	569810395	/nfs/dbraw/zinc/81/03/95/569810395.db2.gz	FWZQSGGCGWSCJF-NXLSWJSLSA-N	0	3	495.576	4.311	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000102865300	569825683	/nfs/dbraw/zinc/82/56/83/569825683.db2.gz	GAWAAZITCKRBNI-SBXHHDGASA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1OC	ZINC000102873974	569826237	/nfs/dbraw/zinc/82/62/37/569826237.db2.gz	MGEBDISFIRYDGY-AYWGPLOBSA-N	0	3	478.545	4.214	50	30		JIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1	ZINC000102932084	569828686	/nfs/dbraw/zinc/82/86/86/569828686.db2.gz	OYGYNHIBPDZDHU-YDJIHCHBSA-N	0	3	457.368	4.131	50	30		JIEAHN
CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(CC#Cc2ccccc2)CCO3)C1	ZINC000299756334	570174119	/nfs/dbraw/zinc/17/41/19/570174119.db2.gz	HCMNABZNRYGVLK-AREMUKBSSA-N	0	3	459.634	4.013	50	30		JIEAHN
C=CCOc1ccccc1CN1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)OC)C1	ZINC000012726608	195097570	/nfs/dbraw/zinc/09/75/70/195097570.db2.gz	TVHAMNMBIUTDHF-JYFHCDHNSA-N	0	3	495.639	4.356	50	30		JIEAHN
Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1	ZINC000059410383	195399179	/nfs/dbraw/zinc/39/91/79/195399179.db2.gz	QCVIXAABXULAPJ-ZLJCIFFXSA-N	0	3	459.030	4.296	50	30	biogenic	JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2)cc1Cl	ZINC000102482440	130135917	/nfs/dbraw/zinc/13/59/17/130135917.db2.gz	PHNBFXXCEKQRHX-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C	ZINC000102719327	130264899	/nfs/dbraw/zinc/26/48/99/130264899.db2.gz	ZLMXUPGMTJDDLB-NPJIAGGLSA-N	0	3	480.605	4.412	50	30		JIEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)c(C)c2)=C(O)C(=O)N1CCCN(C)C	ZINC000102719322	130264949	/nfs/dbraw/zinc/26/49/49/130264949.db2.gz	ZLMXUPGMTJDDLB-IUKMQXEJSA-N	0	3	480.605	4.412	50	30		JIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000102872536	130344335	/nfs/dbraw/zinc/34/43/35/130344335.db2.gz	CTBSUBRAQRJWGK-ZHHPLPSFSA-N	0	3	454.542	4.378	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C	ZINC000036307603	518299651	/nfs/dbraw/zinc/29/96/51/518299651.db2.gz	JPERHNGOOPZNAY-QFIPXVFZSA-N	0	3	451.542	4.240	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1	ZINC000036305669	518310432	/nfs/dbraw/zinc/31/04/32/518310432.db2.gz	OFLKBUAGRRACTP-HSZRJFAPSA-N	0	3	475.589	4.111	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C	ZINC000036305307	518310660	/nfs/dbraw/zinc/31/06/60/518310660.db2.gz	DCMFASWGWQOPOV-HSZRJFAPSA-N	0	3	477.605	4.357	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020443383	519021254	/nfs/dbraw/zinc/02/12/54/519021254.db2.gz	SRXJIVNSURACHE-RUZDIDTESA-N	0	3	494.588	4.189	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009301863	519046588	/nfs/dbraw/zinc/04/65/88/519046588.db2.gz	ATXKLCGCHWRURO-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009301863	519046596	/nfs/dbraw/zinc/04/65/96/519046596.db2.gz	ATXKLCGCHWRURO-NXLSWJSLSA-N	0	3	464.562	4.024	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009070526	519047458	/nfs/dbraw/zinc/04/74/58/519047458.db2.gz	POEPHFRNFFLLKT-IUKMQXEJSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009070526	519047461	/nfs/dbraw/zinc/04/74/61/519047461.db2.gz	POEPHFRNFFLLKT-IUKMQXEJSA-N	0	3	478.589	4.414	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009271186	519058674	/nfs/dbraw/zinc/05/86/74/519058674.db2.gz	MPKGJQPFYUGKMB-HOGKFDNTSA-N	0	3	454.954	4.278	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3ccc(OCC)cc3)CC2)C1=O	ZINC000014885693	519340348	/nfs/dbraw/zinc/34/03/48/519340348.db2.gz	SEJSQCVKLCGAID-LJAQVGFWSA-N	0	3	473.617	4.244	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1C	ZINC000019928725	520326172	/nfs/dbraw/zinc/32/61/72/520326172.db2.gz	KVEOYIUSCDJSFF-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009135747	520419645	/nfs/dbraw/zinc/41/96/45/520419645.db2.gz	WBJRKXRKMOHZDH-ZHHPLPSFSA-N	0	3	454.542	4.378	50	30		JIEAHN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009135747	520419652	/nfs/dbraw/zinc/41/96/52/520419652.db2.gz	WBJRKXRKMOHZDH-ZHHPLPSFSA-N	0	3	454.542	4.378	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000009041790	520469962	/nfs/dbraw/zinc/46/99/62/520469962.db2.gz	KXMJVMCZRPMKFF-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020394626	520657818	/nfs/dbraw/zinc/65/78/18/520657818.db2.gz	ZGNNDZZKLIHRRN-HSZRJFAPSA-N	0	3	481.549	4.302	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000009312038	520773276	/nfs/dbraw/zinc/77/32/76/520773276.db2.gz	IFKMQDFUZKYWOQ-NPJIAGGLSA-N	0	3	496.604	4.117	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1Cl	ZINC000009122112	520873083	/nfs/dbraw/zinc/87/30/83/520873083.db2.gz	XEFAJPYWBSJKOR-QFIPXVFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000009045297	520873938	/nfs/dbraw/zinc/87/39/38/520873938.db2.gz	MRAXKQQMSFMHHZ-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000022276010	520876210	/nfs/dbraw/zinc/87/62/10/520876210.db2.gz	MGXRTXIIHLJJKW-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000022276010	520876214	/nfs/dbraw/zinc/87/62/14/520876214.db2.gz	MGXRTXIIHLJJKW-VWLOTQADSA-N	0	3	496.604	4.331	50	30		JIEAHN
CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1	ZINC000014985681	523952881	/nfs/dbraw/zinc/95/28/81/523952881.db2.gz	PREVSEQKHSABLO-GDLZYMKVSA-N	0	3	498.671	4.138	50	30		JIEAHN
CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009359215	524051842	/nfs/dbraw/zinc/05/18/42/524051842.db2.gz	FAWWWCACPHUGRF-NXLSWJSLSA-N	0	3	450.579	4.267	50	30		JIEAHN
COc1cccc(-n2c(SCC(=O)C(C#N)c3nc(C)cs3)nc3ccccc3c2=O)c1	ZINC000009465017	525749416	/nfs/dbraw/zinc/74/94/16/525749416.db2.gz	XNOOIJPZFQOKOU-SFHVURJKSA-N	0	3	462.556	4.128	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)ccc1OCc1ccccc1	ZINC000009008454	526198955	/nfs/dbraw/zinc/19/89/55/526198955.db2.gz	OBGHRYFOAKDJHH-AREMUKBSSA-N	0	3	485.584	4.499	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1Cl	ZINC000102512171	536564166	/nfs/dbraw/zinc/56/41/66/536564166.db2.gz	OGVHJNCVUQUGDC-NHFXJNLRSA-N	0	3	463.361	4.375	50	30		JIEAHN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000008790298	554683613	/nfs/dbraw/zinc/68/36/13/554683613.db2.gz	XTMOUXNONBYIGC-ZYTJBEDBSA-N	0	3	460.014	4.149	50	30	biogenic	JIEAHN
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000008791041	554684219	/nfs/dbraw/zinc/68/42/19/554684219.db2.gz	ZUVFLFLCXSNTLA-HMLFGDRSSA-N	0	3	460.014	4.150	50	30	biogenic	JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccnc2)cc1C	ZINC000008818409	554702215	/nfs/dbraw/zinc/70/22/15/554702215.db2.gz	YQMOGWURJRGGGN-XMMPIXPASA-N	0	3	465.594	4.489	50	30		JIEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1C	ZINC000008837938	554739095	/nfs/dbraw/zinc/73/90/95/554739095.db2.gz	UIVNAAQXCXGZIM-XMMPIXPASA-N	0	3	495.620	4.462	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1	ZINC000008892772	554781219	/nfs/dbraw/zinc/78/12/19/554781219.db2.gz	YTVAFKLOWUWBNM-NRFANRHFSA-N	0	3	466.969	4.135	50	30		JIEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1	ZINC000008892772	554781221	/nfs/dbraw/zinc/78/12/21/554781221.db2.gz	YTVAFKLOWUWBNM-NRFANRHFSA-N	0	3	466.969	4.135	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Br)cc3)oc21	ZINC000008921524	554818317	/nfs/dbraw/zinc/81/83/17/554818317.db2.gz	FGIPUYZXPOAUGV-NHFXJNLRSA-N	0	3	499.361	4.187	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1	ZINC000013513810	555484811	/nfs/dbraw/zinc/48/48/11/555484811.db2.gz	SAZMHBDEKVVGIQ-QFIPXVFZSA-N	0	3	470.953	4.031	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000019885261	555528437	/nfs/dbraw/zinc/52/84/37/555528437.db2.gz	GUWBIRFVMMTVQW-DEOSSOPVSA-N	0	3	493.560	4.388	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1	ZINC000019885648	555528795	/nfs/dbraw/zinc/52/87/95/555528795.db2.gz	NZKHVZDZDGYJJO-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1	ZINC000019889292	555528876	/nfs/dbraw/zinc/52/88/76/555528876.db2.gz	XIVLJPZOOXFYFE-UHFFFAOYSA-N	0	3	450.589	4.409	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938346	555556160	/nfs/dbraw/zinc/55/61/60/555556160.db2.gz	VUTWVJSLSXDUPD-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000019938346	555556163	/nfs/dbraw/zinc/55/61/63/555556163.db2.gz	VUTWVJSLSXDUPD-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020029429	555604932	/nfs/dbraw/zinc/60/49/32/555604932.db2.gz	AWLFDFLAZHKHCV-OAQYLSRUSA-N	0	3	487.394	4.378	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020082351	555630898	/nfs/dbraw/zinc/63/08/98/555630898.db2.gz	MZWYYWZKXPQFLL-FQEVSTJZSA-N	0	3	457.914	4.168	50	30		JIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Br)cc1	ZINC000020150187	555666308	/nfs/dbraw/zinc/66/63/08/555666308.db2.gz	UVPLNGFZTMLTFR-HXUWFJFHSA-N	0	3	469.335	4.335	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020191147	555692369	/nfs/dbraw/zinc/69/23/69/555692369.db2.gz	SFOJXBREMMZCGM-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020191150	555692392	/nfs/dbraw/zinc/69/23/92/555692392.db2.gz	SFOJXBREMMZCGM-DEOSSOPVSA-N	0	3	482.577	4.023	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020192089	555693233	/nfs/dbraw/zinc/69/32/33/555693233.db2.gz	MRYIYSPMSHXYCN-QHCPKHFHSA-N	0	3	470.541	4.153	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)cc2)cc1	ZINC000020227786	555718300	/nfs/dbraw/zinc/71/83/00/555718300.db2.gz	JVAKUFYDVJQIAC-DEOSSOPVSA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1	ZINC000020227789	555718334	/nfs/dbraw/zinc/71/83/34/555718334.db2.gz	JVAKUFYDVJQIAC-XMMPIXPASA-N	0	3	464.562	4.180	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000020228651	555719020	/nfs/dbraw/zinc/71/90/20/555719020.db2.gz	LFDFICLQILBUPR-QFIPXVFZSA-N	0	3	454.954	4.435	50	30		JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000020327280	555773598	/nfs/dbraw/zinc/77/35/98/555773598.db2.gz	RQAVDMOYMXSNOP-SIBVEZHUSA-N	0	3	490.600	4.495	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000024115960	556122407	/nfs/dbraw/zinc/12/24/07/556122407.db2.gz	BPURVBSAJPWCHD-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000024115960	556122409	/nfs/dbraw/zinc/12/24/09/556122409.db2.gz	BPURVBSAJPWCHD-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c(C)c1	ZINC000017179704	556234470	/nfs/dbraw/zinc/23/44/70/556234470.db2.gz	GCQYZMDJWGPUBE-QHCPKHFHSA-N	0	3	451.567	4.099	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000019771723	556368744	/nfs/dbraw/zinc/36/87/44/556368744.db2.gz	AJXCNSUVDNPYMS-NRFANRHFSA-N	0	3	487.394	4.378	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000019771870	556368787	/nfs/dbraw/zinc/36/87/87/556368787.db2.gz	UZGYYJFKHPDGPA-FQEVSTJZSA-N	0	3	457.368	4.369	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000101287560	569789429	/nfs/dbraw/zinc/78/94/29/569789429.db2.gz	ZRGABBRFIPGBPY-NPJIAGGLSA-N	0	3	478.589	4.412	50	30		JIEAHN
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)ccc1OCC(C)C	ZINC000102175587	569810869	/nfs/dbraw/zinc/81/08/69/569810869.db2.gz	WZTSXZKSMULPOH-HOGKFDNTSA-N	0	3	456.608	4.465	50	30		JIEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102864960	569825533	/nfs/dbraw/zinc/82/55/33/569825533.db2.gz	BHVWUBRAQPZFFA-ZZIWUOEGSA-N	0	3	460.578	4.140	50	30		JIEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000104232788	569843608	/nfs/dbraw/zinc/84/36/08/569843608.db2.gz	MWJPRLQPPHSTEO-NPJIAGGLSA-N	0	3	496.604	4.173	50	30		JIEAHN
Cc1ccc(OS(=O)(=O)c2ccc(C)c(Cl)c2)c(C=NN=C2NC(=O)C(C(C)C)S2)c1	ZINC000252623298	570087839	/nfs/dbraw/zinc/08/78/39/570087839.db2.gz	OOFNSHMSEADANG-LJQANCHMSA-N	0	3	480.011	4.302	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102497959	130152097	/nfs/dbraw/zinc/15/20/97/130152097.db2.gz	JLUSYKWFKIYWOP-IUKMQXEJSA-N	0	3	496.604	4.262	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)cc2)c1	ZINC000102711371	130257709	/nfs/dbraw/zinc/25/77/09/130257709.db2.gz	OPYYWZDICROHHR-CZNAVJSXSA-N	0	3	486.568	4.263	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O	ZINC000102715353	130261667	/nfs/dbraw/zinc/26/16/67/130261667.db2.gz	GPCGVMSUBFIDGE-IUKMQXEJSA-N	0	3	496.604	4.260	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Cl)c1	ZINC000102858020	130328141	/nfs/dbraw/zinc/32/81/41/130328141.db2.gz	LYNTXHIZRDKROV-LEQIOXTRSA-N	0	3	468.981	4.427	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Cl)c1	ZINC000102858020	130328143	/nfs/dbraw/zinc/32/81/43/130328143.db2.gz	LYNTXHIZRDKROV-LEQIOXTRSA-N	0	3	468.981	4.427	50	30		JIEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000102867722	130340878	/nfs/dbraw/zinc/34/08/78/130340878.db2.gz	NSSMLVATKBLRAH-IUKMQXEJSA-N	0	3	496.604	4.112	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102876899	130349433	/nfs/dbraw/zinc/34/94/33/130349433.db2.gz	QRDRPRZWILLYFB-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102876899	130349434	/nfs/dbraw/zinc/34/94/34/130349434.db2.gz	QRDRPRZWILLYFB-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C	ZINC000036305713	518302582	/nfs/dbraw/zinc/30/25/82/518302582.db2.gz	PVBBKWXRICHUSI-QHCPKHFHSA-N	0	3	477.605	4.357	50	30		JIEAHN
C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1	ZINC000036309652	518721740	/nfs/dbraw/zinc/72/17/40/518721740.db2.gz	BHQICWLBKGLYLL-URXFXBBRSA-N	0	3	472.626	4.431	50	30		JIEAHN
C=CCO[C@H]1[C@H](NC(=O)COC)c2ccccc2C12CCN(Cc1c(C)nn(C(C)C)c1C)CC2	ZINC000012100333	519000436	/nfs/dbraw/zinc/00/04/36/519000436.db2.gz	GXUKLFDIWFBPDL-SXOMAYOGSA-N	0	3	480.653	4.003	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009239813	520648995	/nfs/dbraw/zinc/64/89/95/520648995.db2.gz	YCPLQOFYAWRKGV-NXLSWJSLSA-N	0	3	478.545	4.214	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1F	ZINC000009186737	520652394	/nfs/dbraw/zinc/65/23/94/520652394.db2.gz	VXWWKYKCMBIQGA-ZHHPLPSFSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1OC	ZINC000020461166	520657302	/nfs/dbraw/zinc/65/73/02/520657302.db2.gz	UPIVDVIGMUYSFY-XMMPIXPASA-N	0	3	466.578	4.403	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009358855	520856953	/nfs/dbraw/zinc/85/69/53/520856953.db2.gz	MGVALWJBXOJGQK-XMMPIXPASA-N	0	3	482.577	4.110	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009009195	520857073	/nfs/dbraw/zinc/85/70/73/520857073.db2.gz	NRNHNOACIFUTDH-HSZRJFAPSA-N	0	3	452.551	4.101	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000009042626	521232559	/nfs/dbraw/zinc/23/25/59/521232559.db2.gz	SUTQBAHWJUJGRC-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000009042626	521232564	/nfs/dbraw/zinc/23/25/64/521232564.db2.gz	SUTQBAHWJUJGRC-SBXHHDGASA-N	0	3	466.578	4.166	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009357630	521234197	/nfs/dbraw/zinc/23/41/97/521234197.db2.gz	BGRDULFUQAJLCI-NPJIAGGLSA-N	0	3	480.605	4.494	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020267746	521238758	/nfs/dbraw/zinc/23/87/58/521238758.db2.gz	FXMSGAFKQIJVKV-RUZDIDTESA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000020461396	521589963	/nfs/dbraw/zinc/58/99/63/521589963.db2.gz	XVFXAFOTXYSLDF-DEOSSOPVSA-N	0	3	466.578	4.403	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)oc21	ZINC000009046662	524258005	/nfs/dbraw/zinc/25/80/05/524258005.db2.gz	RKYLPRALROYLGG-YDJIHCHBSA-N	0	3	454.910	4.078	50	30		JIEAHN
O=C(N=C(NCc1ccncc1)Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCCCC2)cc1	ZINC000035481021	527660633	/nfs/dbraw/zinc/66/06/33/527660633.db2.gz	CORDIPYUJJUQMR-UHFFFAOYSA-N	0	3	485.588	4.237	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1OC	ZINC000102498390	536562259	/nfs/dbraw/zinc/56/22/59/536562259.db2.gz	KRFKAYPZWQUTTD-SBXHHDGASA-N	0	3	466.578	4.201	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1C	ZINC000102490343	536564418	/nfs/dbraw/zinc/56/44/18/536564418.db2.gz	APLKXRAPUUXSKX-MRJHHRETSA-N	0	3	487.394	4.140	50	30		JIEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000002359140	554165151	/nfs/dbraw/zinc/16/51/51/554165151.db2.gz	JUMHGMDKHXAHKV-HSZRJFAPSA-N	0	3	481.531	4.446	50	30		JIEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000008743796	554646698	/nfs/dbraw/zinc/64/66/98/554646698.db2.gz	LDNXAZDXULEOME-NHFXJNLRSA-N	0	3	463.361	4.375	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008901311	554794388	/nfs/dbraw/zinc/79/43/88/554794388.db2.gz	KVDCIPBIFGQCQB-HOGKFDNTSA-N	0	3	463.490	4.105	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000013427532	555400551	/nfs/dbraw/zinc/40/05/51/555400551.db2.gz	AWEHYQAQGNDBBJ-DEOSSOPVSA-N	0	3	482.577	4.028	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000013427532	555400552	/nfs/dbraw/zinc/40/05/52/555400552.db2.gz	AWEHYQAQGNDBBJ-DEOSSOPVSA-N	0	3	482.577	4.028	50	30		JIEAHN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C	ZINC000013595796	555528875	/nfs/dbraw/zinc/52/88/75/555528875.db2.gz	LNHSETNDKPFZIU-HSZRJFAPSA-N	0	3	454.542	4.309	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000019928768	555544601	/nfs/dbraw/zinc/54/46/01/555544601.db2.gz	JBYFCUIZMFHNEE-HSZRJFAPSA-N	0	3	452.526	4.229	50	30		JIEAHN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019938505	555556537	/nfs/dbraw/zinc/55/65/37/555556537.db2.gz	CBUCKVOEBHIPQJ-BVZFJXPGSA-N	0	3	476.573	4.105	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020057711	555620717	/nfs/dbraw/zinc/62/07/17/555620717.db2.gz	LPTYGWSHKIOPLA-XMMPIXPASA-N	0	3	494.588	4.181	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(Br)c1	ZINC000020150035	555666083	/nfs/dbraw/zinc/66/60/83/555666083.db2.gz	JSRZSLXARGOZEX-GOSISDBHSA-N	0	3	492.439	4.443	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1OC	ZINC000020188938	555690866	/nfs/dbraw/zinc/69/08/66/555690866.db2.gz	UZKJQDIKRKGHGW-OAQYLSRUSA-N	0	3	472.969	4.277	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000020191936	555692949	/nfs/dbraw/zinc/69/29/49/555692949.db2.gz	IFFLKKZGIAIFAG-NRFANRHFSA-N	0	3	491.371	4.295	50	30		JIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000020219320	555713745	/nfs/dbraw/zinc/71/37/45/555713745.db2.gz	PLGDQGXYPXCDPI-DEOSSOPVSA-N	0	3	478.589	4.285	50	30		JIEAHN
COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Br)c3)oc21	ZINC000020219887	555716425	/nfs/dbraw/zinc/71/64/25/555716425.db2.gz	QDASANCLHYCWRN-HXUWFJFHSA-N	0	3	499.361	4.344	50	30		JIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020230982	555721358	/nfs/dbraw/zinc/72/13/58/555721358.db2.gz	PFSICEWEXIEBQA-QHCPKHFHSA-N	0	3	452.551	4.014	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC	ZINC000020267743	555748917	/nfs/dbraw/zinc/74/89/17/555748917.db2.gz	FXMSGAFKQIJVKV-VWLOTQADSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1C	ZINC000013080556	556278490	/nfs/dbraw/zinc/27/84/90/556278490.db2.gz	SBLFZSKPQIBACC-RUZDIDTESA-N	0	3	479.621	4.380	50	30		JIEAHN
CN(C)[C@H](CNC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1)c1ccccc1	ZINC000013095679	556288296	/nfs/dbraw/zinc/28/82/96/556288296.db2.gz	OZTKNRBOZVGEMH-JOCHJYFZSA-N	0	3	497.624	4.046	50	30		JIEAHN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1	ZINC000036249905	569758178	/nfs/dbraw/zinc/75/81/78/569758178.db2.gz	OHKDJIIUFCLVDS-VWLOTQADSA-N	0	3	459.590	4.201	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1	ZINC000101287564	569789564	/nfs/dbraw/zinc/78/95/64/569789564.db2.gz	ZRGABBRFIPGBPY-IUKMQXEJSA-N	0	3	478.589	4.412	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1	ZINC000101287805	569789625	/nfs/dbraw/zinc/78/96/25/569789625.db2.gz	RWFIHOZNXYTVHO-MOBKVPTQSA-N	0	3	454.954	4.278	50	30		JIEAHN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000101313826	569792421	/nfs/dbraw/zinc/79/24/21/569792421.db2.gz	IBCHXMDDFFYPEC-HUPAGYGUSA-N	0	3	490.600	4.338	50	30		JIEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1C	ZINC000102876247	569826541	/nfs/dbraw/zinc/82/65/41/569826541.db2.gz	RQLPGORKYRXWQR-UVDRRRQGSA-N	0	3	495.620	4.305	50	30		JIEAHN
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC	ZINC000169680062	569870067	/nfs/dbraw/zinc/87/00/67/569870067.db2.gz	CNXMCJQHRYEAOT-JTHBVZDNSA-N	0	3	477.605	4.499	50	30		JIEAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@@H]3C2=O)cc1	ZINC000230038411	570043913	/nfs/dbraw/zinc/04/39/13/570043913.db2.gz	NTZYRNMWDDLBAP-ISJGIBHGSA-N	0	3	453.498	4.398	50	30		JIEAHN
C=CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C	ZINC000245327441	570065272	/nfs/dbraw/zinc/06/52/72/570065272.db2.gz	JIOSROFBRKDSSN-FYYLOGMGSA-N	0	3	457.615	4.122	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2OC)cc1C	ZINC000102510691	130164845	/nfs/dbraw/zinc/16/48/45/130164845.db2.gz	KBTHVVAYYTXUEJ-IUKMQXEJSA-N	0	3	496.604	4.174	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(O)cc3)cc2)c1	ZINC000102717933	130264254	/nfs/dbraw/zinc/26/42/54/130264254.db2.gz	ODYSZAWBLJJJOP-CZNAVJSXSA-N	0	3	486.568	4.263	50	30		JIEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN(C)C	ZINC000102867477	130340674	/nfs/dbraw/zinc/34/06/74/130340674.db2.gz	UIEVBOLIDGOYJT-NXLSWJSLSA-N	0	3	466.578	4.103	50	30		JIEAHN
CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000102873654	130345592	/nfs/dbraw/zinc/34/55/92/130345592.db2.gz	KODBFBSCZIMPLQ-IUKMQXEJSA-N	0	3	496.604	4.117	50	30		JIEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1	ZINC000102876488	130348561	/nfs/dbraw/zinc/34/85/61/130348561.db2.gz	YOMQLMACKXOTOW-ZHHPLPSFSA-N	0	3	478.980	4.208	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000102925732	130396687	/nfs/dbraw/zinc/39/66/87/130396687.db2.gz	YRSLDEUXDNQEMT-NPJIAGGLSA-N	0	3	496.604	4.256	50	30		JIEAHN
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1=O	ZINC000011789645	518602135	/nfs/dbraw/zinc/60/21/35/518602135.db2.gz	UVQCYFWBNLFWAQ-DEOSSOPVSA-N	0	3	455.990	4.219	50	30		JIEAHN
C=CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)CC1CC1	ZINC000036309350	518713707	/nfs/dbraw/zinc/71/37/07/518713707.db2.gz	SESUEAZCWRMOHQ-GGAORHGYSA-N	0	3	484.662	4.301	50	30		JIEAHN
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3cn(C)c4ccccc34)CC2)C1=O	ZINC000012098710	519340717	/nfs/dbraw/zinc/34/07/17/519340717.db2.gz	AHPRGAGZDWTJBE-LJAQVGFWSA-N	0	3	486.591	4.086	50	30		JIEAHN
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3ccc(OC)c(C)c3C)CC2)C1=O	ZINC000014878677	519343259	/nfs/dbraw/zinc/34/32/59/519343259.db2.gz	QJQHREKOEHFXCK-GDLZYMKVSA-N	0	3	491.607	4.220	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(OC)c1OC	ZINC000009329000	520652123	/nfs/dbraw/zinc/65/21/23/520652123.db2.gz	QQDDQSLMFFXNAR-SBXHHDGASA-N	0	3	496.604	4.255	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)cc1	ZINC000020440160	520658113	/nfs/dbraw/zinc/65/81/13/520658113.db2.gz	YOVNFQVITCAFOE-HSZRJFAPSA-N	0	3	452.551	4.100	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)cc1	ZINC000020440160	520658122	/nfs/dbraw/zinc/65/81/22/520658122.db2.gz	YOVNFQVITCAFOE-HSZRJFAPSA-N	0	3	452.551	4.100	50	30		JIEAHN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(CC)CC)ccc1O	ZINC000009413123	520772486	/nfs/dbraw/zinc/77/24/86/520772486.db2.gz	TYHLPZFMKHTQQI-NPJIAGGLSA-N	0	3	496.604	4.342	50	30		JIEAHN
CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000009357449	520856659	/nfs/dbraw/zinc/85/66/59/520856659.db2.gz	CGLODCSYPOKELY-DEOSSOPVSA-N	0	3	496.604	4.413	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2)cc1Cl	ZINC000009044110	520874022	/nfs/dbraw/zinc/87/40/22/520874022.db2.gz	AWXBWZZVYHFCOE-JOCHJYFZSA-N	0	3	472.969	4.277	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000009233374	520874052	/nfs/dbraw/zinc/87/40/52/520874052.db2.gz	KNSKMCJLPLNQBS-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1	ZINC000009302036	520875683	/nfs/dbraw/zinc/87/56/83/520875683.db2.gz	BQNOIUMXDAASPF-XMMPIXPASA-N	0	3	482.577	4.023	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000022275840	520876016	/nfs/dbraw/zinc/87/60/16/520876016.db2.gz	AQBCFWHCVXSKMH-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(F)cc2)c(C)c1	ZINC000022275840	520876020	/nfs/dbraw/zinc/87/60/20/520876020.db2.gz	AQBCFWHCVXSKMH-HSZRJFAPSA-N	0	3	454.542	4.453	50	30		JIEAHN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(Cl)cc3)oc21	ZINC000009302062	524257589	/nfs/dbraw/zinc/25/75/89/524257589.db2.gz	NDWXSXIWKIQTBF-MRJHHRETSA-N	0	3	468.937	4.468	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009339642	525367114	/nfs/dbraw/zinc/36/71/14/525367114.db2.gz	YPYXUTXTUCUIAI-XMMPIXPASA-N	0	3	495.576	4.468	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1	ZINC000102490848	535283668	/nfs/dbraw/zinc/28/36/68/535283668.db2.gz	KSUGQLZYPNRVKR-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1	ZINC000102490848	535283676	/nfs/dbraw/zinc/28/36/76/535283676.db2.gz	KSUGQLZYPNRVKR-NXLSWJSLSA-N	0	3	466.578	4.248	50	30		JIEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000008921610	554818590	/nfs/dbraw/zinc/81/85/90/554818590.db2.gz	BAXHHZLVMXAEMZ-HOGKFDNTSA-N	0	3	456.970	4.455	50	30		JIEAHN
N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1	ZINC000008980302	554846563	/nfs/dbraw/zinc/84/65/63/554846563.db2.gz	GXZCXSHMSQLTBB-JOCHJYFZSA-N	0	3	455.562	4.439	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000008981430	554847032	/nfs/dbraw/zinc/84/70/32/554847032.db2.gz	VFKRXVORPXKBNE-AYWGPLOBSA-N	0	3	454.542	4.376	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000008981430	554847033	/nfs/dbraw/zinc/84/70/33/554847033.db2.gz	VFKRXVORPXKBNE-AYWGPLOBSA-N	0	3	454.542	4.376	50	30		JIEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000008987836	554850488	/nfs/dbraw/zinc/85/04/88/554850488.db2.gz	XGYJTCIVNOPQES-QHCPKHFHSA-N	0	3	452.551	4.012	50	30		JIEAHN
Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3ccc(O)cc3)cc2)c1	ZINC000013569225	555507568	/nfs/dbraw/zinc/50/75/68/555507568.db2.gz	RQRLGQTWOFEPAW-SANMLTNESA-N	0	3	486.568	4.420	50	30		JIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)cc1C	ZINC000019928735	555544266	/nfs/dbraw/zinc/54/42/66/555544266.db2.gz	GHZJAHWMPGWUDJ-QHCPKHFHSA-N	0	3	454.542	4.453	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000020029296	555604468	/nfs/dbraw/zinc/60/44/68/555604468.db2.gz	QPVJKINZFFKWAX-DEOSSOPVSA-N	0	3	480.561	4.123	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000020029296	555604470	/nfs/dbraw/zinc/60/44/70/555604470.db2.gz	QPVJKINZFFKWAX-DEOSSOPVSA-N	0	3	480.561	4.123	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OC)cc1	ZINC000020219860	555716135	/nfs/dbraw/zinc/71/61/35/555716135.db2.gz	HJPLFIAXIYDKIY-HSZRJFAPSA-N	0	3	478.545	4.370	50	30		JIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020219874	555716536	/nfs/dbraw/zinc/71/65/36/555716536.db2.gz	SDCHACJVDPEELV-JOCHJYFZSA-N	0	3	493.516	4.270	50	30		JIEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC	ZINC000020264178	555746457	/nfs/dbraw/zinc/74/64/57/555746457.db2.gz	OISLKHNMZKXXTR-QHCPKHFHSA-N	0	3	470.541	4.153	50	30		JIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CCOC)CC1	ZINC000014539695	555829773	/nfs/dbraw/zinc/82/97/73/555829773.db2.gz	GXNLRWVNNJJVQX-HSZRJFAPSA-N	0	3	477.649	4.202	50	30		JIEAHN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)c(C)c1	ZINC000024081067	556119883	/nfs/dbraw/zinc/11/98/83/556119883.db2.gz	ILLUAIRYKYHPDS-HSZRJFAPSA-N	0	3	452.526	4.229	50	30		JIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000024081327	556120380	/nfs/dbraw/zinc/12/03/80/556120380.db2.gz	UGHBXQJESUAXCJ-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)cc2)cc1C	ZINC000024081327	556120381	/nfs/dbraw/zinc/12/03/81/556120381.db2.gz	UGHBXQJESUAXCJ-XMMPIXPASA-N	0	3	466.578	4.322	50	30		JIEAHN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000024117179	556122256	/nfs/dbraw/zinc/12/22/56/556122256.db2.gz	SSOBUASPABQQNW-RUZDIDTESA-N	0	3	478.589	4.489	50	30		JIEAHN
N#Cc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(CN3CCCC3)CC2)c1	ZINC000071775292	569698099	/nfs/dbraw/zinc/69/80/99/569698099.db2.gz	ALTGOFQTXYVJJI-UHFFFAOYSA-N	0	3	478.593	4.391	50	30		JIEAHN
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCC(O)(c4ccc(Cl)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000082051313	569707966	/nfs/dbraw/zinc/70/79/66/569707966.db2.gz	ZUVFLFLCXSNTLA-LPNMMASGSA-N	0	3	460.014	4.150	50	30	biogenic	JIEAHN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1	ZINC000101313828	569792443	/nfs/dbraw/zinc/79/24/43/569792443.db2.gz	IBCHXMDDFFYPEC-KXCNXCNDSA-N	0	3	490.600	4.338	50	30		JIEAHN
CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101864269	569806543	/nfs/dbraw/zinc/80/65/43/569806543.db2.gz	OKIXUCDJNVUARE-ZHHPLPSFSA-N	0	3	481.549	4.003	50	30		JIEAHN
Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102169155	569810438	/nfs/dbraw/zinc/81/04/38/569810438.db2.gz	FWZQSGGCGWSCJF-SBXHHDGASA-N	0	3	495.576	4.311	50	30		JIEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102931795	569828602	/nfs/dbraw/zinc/82/86/02/569828602.db2.gz	DWHSGPVGQLQFBW-HOGKFDNTSA-N	0	3	472.969	4.121	50	30		JIEAHN