smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)c1	ZINC000009950854	195033516	/nfs/dbraw/zinc/03/35/16/195033516.db2.gz	YBTJPYLMIGUPRM-RUZDIDTESA-N	1	0	496.633	2.921	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102508088	130162651	/nfs/dbraw/zinc/16/26/51/130162651.db2.gz	AFPKBMRDGYCEBS-PGVNHDJNSA-N	1	0	478.549	2.952	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000102736114	130280526	/nfs/dbraw/zinc/28/05/26/130280526.db2.gz	KCLDTBLEYDEIMO-MRJHHRETSA-N	1	0	458.486	2.835	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C1CCCCC1	ZINC000036207248	518306592	/nfs/dbraw/zinc/30/65/92/518306592.db2.gz	CHJKPLYMMUQTCR-KRWDZBQOSA-N	1	0	461.584	2.615	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249824	518994610	/nfs/dbraw/zinc/99/46/10/518994610.db2.gz	MJDJVXCBSMMMBU-YADHBBJMSA-N	1	0	457.571	2.723	50	30		JFEARO
CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020547313	521754509	/nfs/dbraw/zinc/75/45/09/521754509.db2.gz	RVPPQVXFCBSTSL-QFIPXVFZSA-N	1	0	451.523	2.664	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009041283	522161917	/nfs/dbraw/zinc/16/19/17/522161917.db2.gz	QILCVWBSVWLCDM-JOCHJYFZSA-N	1	0	476.533	2.959	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009349787	522171681	/nfs/dbraw/zinc/17/16/81/522171681.db2.gz	JIBHJOMOJZPCPA-QRQCRPRQSA-N	1	0	464.518	2.937	50	30		JFEARO
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)C[C@H]1OC	ZINC000035982580	522649232	/nfs/dbraw/zinc/64/92/32/522649232.db2.gz	NGYYJZPVJRGOGG-YCASGBEESA-N	1	0	468.550	2.653	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009043977	525386682	/nfs/dbraw/zinc/38/66/82/525386682.db2.gz	JVQKNRISYORPTJ-QFIPXVFZSA-N	1	0	464.522	2.800	50	30		JFEARO
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c1C#N	ZINC000020479417	526144149	/nfs/dbraw/zinc/14/41/49/526144149.db2.gz	JZMZJELIIXNAIZ-JOCHJYFZSA-N	1	0	455.562	2.613	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(F)c3)ccc21	ZINC000102749677	535832641	/nfs/dbraw/zinc/83/26/41/535832641.db2.gz	NCVQCYXEMACLTF-NHFXJNLRSA-N	1	0	453.470	2.644	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102721531	535833919	/nfs/dbraw/zinc/83/39/19/535833919.db2.gz	IMLXFECZWBZOMV-JBCNATCCSA-N	1	0	467.478	2.739	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000102746600	536565538	/nfs/dbraw/zinc/56/55/38/536565538.db2.gz	PIXMFMSGUDZUIJ-MRJHHRETSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102706354	536565778	/nfs/dbraw/zinc/56/57/78/536565778.db2.gz	KCQVCQUDAVLPPT-MRJHHRETSA-N	1	0	470.522	2.704	50	30		JFEARO
C=CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	ZINC000019835519	555506699	/nfs/dbraw/zinc/50/66/99/555506699.db2.gz	WSMGVHBOOZFZOP-UHFFFAOYSA-N	1	0	463.557	2.942	50	30		JFEARO
COc1ccccc1[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[NH+]1CCCC1	ZINC000009846589	555546071	/nfs/dbraw/zinc/54/60/71/555546071.db2.gz	GFELKNFYQOWMOU-DEOSSOPVSA-N	1	0	496.633	2.921	50	30		JFEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)c(C)n1	ZINC000013690776	555584862	/nfs/dbraw/zinc/58/48/62/555584862.db2.gz	NNFUKCQFQUUJOC-GOSISDBHSA-N	1	0	459.344	2.996	50	30		JFEARO
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020025022	555603112	/nfs/dbraw/zinc/60/31/12/555603112.db2.gz	ZNDZZWOJYRFGKA-QFIPXVFZSA-N	1	0	485.606	2.775	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000020219247	555713497	/nfs/dbraw/zinc/71/34/97/555713497.db2.gz	SNQDYWJCDLCVSY-QFIPXVFZSA-N	1	0	468.506	2.615	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000020229895	555720698	/nfs/dbraw/zinc/72/06/98/555720698.db2.gz	JCDFMNNJDVWPJL-FQEVSTJZSA-N	1	0	455.467	2.752	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000012757837	556108659	/nfs/dbraw/zinc/10/86/59/556108659.db2.gz	HSQKAURRTADZFQ-NRFANRHFSA-N	1	0	469.538	2.957	50	30		JFEARO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1	ZINC000012913214	556132102	/nfs/dbraw/zinc/13/21/02/556132102.db2.gz	KKGPXOKLANOPNI-QGZVFWFLSA-N	1	0	456.568	2.679	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000018180928	556299451	/nfs/dbraw/zinc/29/94/51/556299451.db2.gz	SKRVLZYXMOTLRB-HXUWFJFHSA-N	1	0	454.479	2.572	50	30		JFEARO
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4c(C)cccc4C)CC3)co2)CC1	ZINC000034677775	569642112	/nfs/dbraw/zinc/64/21/12/569642112.db2.gz	HXHWXBRAOWLION-QHCPKHFHSA-N	1	0	481.641	2.699	50	30		JFEARO
CCOC(=O)/C(=C\NN1CCCN2CCC[NH+]=C21)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000072434021	569704046	/nfs/dbraw/zinc/70/40/46/569704046.db2.gz	OSPGRBFPENPVHJ-QBFSEMIESA-N	1	0	470.313	2.803	50	30		JFEARO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000100074673	569752560	/nfs/dbraw/zinc/75/25/60/569752560.db2.gz	BUEHPYQPARQBJN-LJQANCHMSA-N	1	0	469.519	2.733	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)c1C	ZINC000102928745	569827386	/nfs/dbraw/zinc/82/73/86/569827386.db2.gz	BVEPTLBPXQSQBY-ASBZNUFUSA-N	1	0	457.502	2.931	50	30		JFEARO
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC[NH+]3CCCCC3)[C@H]2C1	ZINC000230134699	570045667	/nfs/dbraw/zinc/04/56/67/570045667.db2.gz	HDISGDZFEQBCTA-ZEQKJWHPSA-N	1	0	488.592	2.936	50	30		JFEARO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327448	570065325	/nfs/dbraw/zinc/06/53/25/570065325.db2.gz	JJAXHNJWDJVYCW-FCHUYYIVSA-N	1	0	475.561	2.862	50	30		JFEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009354126	124113211	/nfs/dbraw/zinc/11/32/11/124113211.db2.gz	DEIZTHAXQLDCNU-AYWGPLOBSA-N	1	0	482.533	2.848	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102494932	130149207	/nfs/dbraw/zinc/14/92/07/130149207.db2.gz	RNVPLSOQLGPWDT-HFEWCJDKSA-N	1	0	499.564	2.809	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102505810	130160121	/nfs/dbraw/zinc/16/01/21/130160121.db2.gz	JGOLXXNHDBVHEL-QOJBNDRUSA-N	1	0	484.509	2.700	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102538398	130193039	/nfs/dbraw/zinc/19/30/39/130193039.db2.gz	XWPITKAJEKJQOI-OBVHCKHUSA-N	1	0	497.548	2.578	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000102879364	130354176	/nfs/dbraw/zinc/35/41/76/130354176.db2.gz	GRILFZIGGKYGFD-PGVNHDJNSA-N	1	0	499.564	2.809	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309970	518307781	/nfs/dbraw/zinc/30/77/81/518307781.db2.gz	SWTAJAFUZPRWQC-IRLDBZIGSA-N	1	0	456.608	2.894	50	30		JFEARO
C=CCn1c(=O)c(=O)n(CC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c2ccccc21	ZINC000033268771	519152360	/nfs/dbraw/zinc/15/23/60/519152360.db2.gz	DFYSWPHOWQMSKQ-UHFFFAOYSA-N	1	0	464.541	2.517	50	30		JFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1	ZINC000009186613	520596350	/nfs/dbraw/zinc/59/63/50/520596350.db2.gz	GKXZDZSDEMZKCS-PGVNHDJNSA-N	1	0	468.554	2.967	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000009271681	520654629	/nfs/dbraw/zinc/65/46/29/520654629.db2.gz	XYYHVGUKTUYPPV-JBCNATCCSA-N	1	0	469.538	2.871	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000004039836	521359528	/nfs/dbraw/zinc/35/95/28/521359528.db2.gz	OEWDYLWFHUJFFA-NRFANRHFSA-N	1	0	499.564	2.965	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000004040071	524021427	/nfs/dbraw/zinc/02/14/27/524021427.db2.gz	UFQDSNKMNHZQSB-HXUWFJFHSA-N	1	0	485.537	2.575	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009301899	524021435	/nfs/dbraw/zinc/02/14/35/524021435.db2.gz	GLALVWCPLSZQOS-QFIPXVFZSA-N	1	0	499.564	2.965	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000009271326	524021542	/nfs/dbraw/zinc/02/15/42/524021542.db2.gz	NUUHMUZAWNBHQV-OAQYLSRUSA-N	1	0	499.564	2.965	50	30	biogenic	JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000009046809	524021662	/nfs/dbraw/zinc/02/16/62/524021662.db2.gz	LPCMYLUNQOVQPO-OAQYLSRUSA-N	1	0	469.538	2.957	50	30		JFEARO
Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccccc4n4c3c(C#N)c(C)cc4=O)CC2)cc1	ZINC000020478372	524963658	/nfs/dbraw/zinc/96/36/58/524963658.db2.gz	OEISZUVVAYNVBQ-QFIPXVFZSA-N	1	0	455.562	2.926	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009042955	527091294	/nfs/dbraw/zinc/09/12/94/527091294.db2.gz	CDEOBMAMVYIHPR-HXUWFJFHSA-N	1	0	463.494	2.999	50	30		JFEARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NC1CC[NH+](Cc2ccccc2)CC1	ZINC000009579939	527339240	/nfs/dbraw/zinc/33/92/40/527339240.db2.gz	SSVFEKWRNMKPOJ-UHFFFAOYSA-N	1	0	473.555	2.680	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(F)c3)ccc21	ZINC000102749679	535832714	/nfs/dbraw/zinc/83/27/14/535832714.db2.gz	NCVQCYXEMACLTF-YDJIHCHBSA-N	1	0	453.470	2.644	50	30		JFEARO
C=CCn1cc[n+](C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000002268883	554125912	/nfs/dbraw/zinc/12/59/12/554125912.db2.gz	IUTPXPRAWXLFQW-UHFFFAOYSA-O	1	0	499.366	2.950	50	30		JFEARO
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000008744005	554647036	/nfs/dbraw/zinc/64/70/36/554647036.db2.gz	GXXXDWCTGCZZTH-MOBKVPTQSA-N	1	0	485.606	2.619	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837703	554738814	/nfs/dbraw/zinc/73/88/14/554738814.db2.gz	HHAZKUMTEMQZCW-HXUWFJFHSA-N	1	0	463.494	2.999	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1	ZINC000019883200	555527691	/nfs/dbraw/zinc/52/76/91/555527691.db2.gz	AOEWDBOVZMMWBY-NRFANRHFSA-N	1	0	489.569	2.606	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019938419	555556165	/nfs/dbraw/zinc/55/61/65/555556165.db2.gz	GLXSUFMNSNGURS-JOCHJYFZSA-N	1	0	468.506	2.615	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013722763	555598144	/nfs/dbraw/zinc/59/81/44/555598144.db2.gz	JSMJMYOQGMWZNB-OAQYLSRUSA-N	1	0	456.543	2.584	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccccc3F)ccc21	ZINC000013733160	555604790	/nfs/dbraw/zinc/60/47/90/555604790.db2.gz	GRZUBAYSLKUXCX-FQEVSTJZSA-N	1	0	453.470	2.801	50	30		JFEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219522	555714871	/nfs/dbraw/zinc/71/48/71/555714871.db2.gz	KRUOMURMDFXXER-JOCHJYFZSA-N	1	0	452.507	2.996	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1	ZINC000020219714	555715545	/nfs/dbraw/zinc/71/55/45/555715545.db2.gz	WMFNMVCALMXFCR-HXUWFJFHSA-N	1	0	454.527	2.733	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020231222	555721380	/nfs/dbraw/zinc/72/13/80/555721380.db2.gz	MPLLXUGXIVKLAW-NRFANRHFSA-N	1	0	467.478	2.896	50	30		JFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024192886	556125778	/nfs/dbraw/zinc/12/57/78/556125778.db2.gz	PBLNAHDFUJBWRY-RUZDIDTESA-N	1	0	451.498	2.795	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024334796	556129423	/nfs/dbraw/zinc/12/94/23/556129423.db2.gz	KURCVDKUUYQEFF-AREMUKBSSA-N	1	0	463.534	2.664	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000016734927	556156158	/nfs/dbraw/zinc/15/61/58/556156158.db2.gz	QGEFFTIWXHXCNC-RUZDIDTESA-N	1	0	451.498	2.876	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000017167273	556230390	/nfs/dbraw/zinc/23/03/90/556230390.db2.gz	SCJDKZKCFMQTQE-OJZVVMIASA-N	1	0	461.587	2.941	50	30		JFEARO
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4c(C)cccc4C)CC3)co2)CC1	ZINC000034677774	569642091	/nfs/dbraw/zinc/64/20/91/569642091.db2.gz	HXHWXBRAOWLION-HSZRJFAPSA-N	1	0	481.641	2.699	50	30		JFEARO
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000102931977	569828562	/nfs/dbraw/zinc/82/85/62/569828562.db2.gz	CTQHKNLSBBTAQP-MOBKVPTQSA-N	1	0	452.507	2.840	50	30		JFEARO
COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000102931975	569828661	/nfs/dbraw/zinc/82/86/61/569828661.db2.gz	CTQHKNLSBBTAQP-HOGKFDNTSA-N	1	0	452.507	2.840	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000103572501	569836311	/nfs/dbraw/zinc/83/63/11/569836311.db2.gz	CZNRMKQBEZJXCZ-OBVHCKHUSA-N	1	0	499.564	2.809	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1	ZINC000230112016	570045058	/nfs/dbraw/zinc/04/50/58/570045058.db2.gz	URYNQVQNFWNTCV-HYBUGGRVSA-N	1	0	484.618	2.737	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327450	570065336	/nfs/dbraw/zinc/06/53/36/570065336.db2.gz	JJAXHNJWDJVYCW-FGZHOGPDSA-N	1	0	475.561	2.862	50	30		JFEARO
CC(=O)Nc1ccc(S(=O)(=O)NC2=C([n+]3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)cc1	ZINC000003216778	194240918	/nfs/dbraw/zinc/24/09/18/194240918.db2.gz	PIDJAGFXZMRQAM-UHFFFAOYSA-O	1	0	476.534	2.776	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000102512090	130166159	/nfs/dbraw/zinc/16/61/59/130166159.db2.gz	AYRWGFJCERKRHN-SELCWUDQSA-N	1	0	475.567	2.769	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102513212	130166662	/nfs/dbraw/zinc/16/66/62/130166662.db2.gz	COMAMCHQAHVKIU-OBVHCKHUSA-N	1	0	469.538	2.800	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102514728	130168025	/nfs/dbraw/zinc/16/80/25/130168025.db2.gz	GCACQVWGRQZMHS-HOGKFDNTSA-N	1	0	482.533	2.848	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1	ZINC000102530486	130184140	/nfs/dbraw/zinc/18/41/40/130184140.db2.gz	HLJPAGOWTOTPRA-AYWGPLOBSA-N	1	0	482.533	2.848	50	30		JFEARO
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102587894	130217646	/nfs/dbraw/zinc/21/76/46/130217646.db2.gz	LCIABYSFVABTPA-HOGKFDNTSA-N	1	0	451.523	2.507	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102652942	130232830	/nfs/dbraw/zinc/23/28/30/130232830.db2.gz	QCDIWFKITDXXJT-IUOUCKIRSA-N	1	0	464.518	2.780	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102706075	130252015	/nfs/dbraw/zinc/25/20/15/130252015.db2.gz	SAPVZRLGBCTWHH-HOGKFDNTSA-N	1	0	452.507	2.840	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102863623	130335275	/nfs/dbraw/zinc/33/52/75/130335275.db2.gz	USBZSJABXZNCOF-HFEWCJDKSA-N	1	0	499.564	2.809	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1	ZINC000036310039	518297947	/nfs/dbraw/zinc/29/79/47/518297947.db2.gz	URYNQVQNFWNTCV-RDPSFJRHSA-N	1	0	484.618	2.737	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1	ZINC000036309310	518307529	/nfs/dbraw/zinc/30/75/29/518307529.db2.gz	VUTGIDXRDBPHMC-YKSBVNFPSA-N	1	0	486.634	2.984	50	30		JFEARO
C=CCOc1ccccc1CN1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[N@H+](C)CC1	ZINC000012245085	519072965	/nfs/dbraw/zinc/07/29/65/519072965.db2.gz	ROTKVCFJOARZRG-YADHBBJMSA-N	1	0	469.655	2.884	50	30		JFEARO
C=CCn1cc(C(=O)NCC[NH+](CC)CC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21	ZINC000009731278	519275288	/nfs/dbraw/zinc/27/52/88/519275288.db2.gz	OSYHMOLUZGEWEH-UHFFFAOYSA-N	1	0	488.654	2.824	50	30		JFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccncc1	ZINC000009185101	520597060	/nfs/dbraw/zinc/59/70/60/520597060.db2.gz	STIJNBMNPFYKCX-PGVNHDJNSA-N	1	0	468.554	2.967	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000015953345	521730949	/nfs/dbraw/zinc/73/09/49/521730949.db2.gz	NNPJEQRLIJYZJH-SANMLTNESA-N	1	0	463.534	2.746	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000013735149	522163677	/nfs/dbraw/zinc/16/36/77/522163677.db2.gz	YQBYEAYHQSKTSR-HXUWFJFHSA-N	1	0	456.470	2.761	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)c1C	ZINC000004039463	524021397	/nfs/dbraw/zinc/02/13/97/524021397.db2.gz	BISPJIANTFGQEH-FQEVSTJZSA-N	1	0	455.511	2.567	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009043981	525217939	/nfs/dbraw/zinc/21/79/39/525217939.db2.gz	JVQKNRISYORPTJ-JOCHJYFZSA-N	1	0	464.522	2.800	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2cccs2)cc1	ZINC000102369225	534968619	/nfs/dbraw/zinc/96/86/19/534968619.db2.gz	HLMYPXOAOSQUMH-MRJHHRETSA-N	1	0	455.580	2.862	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000008904021	554798212	/nfs/dbraw/zinc/79/82/12/554798212.db2.gz	FOHRWMABDPFMRN-HXUWFJFHSA-N	1	0	455.511	2.567	50	30		JFEARO
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1	ZINC000009494813	555279082	/nfs/dbraw/zinc/27/90/82/555279082.db2.gz	SOXNRTXAFXXNTL-VWLOTQADSA-N	1	0	496.633	2.921	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019938418	555556239	/nfs/dbraw/zinc/55/62/39/555556239.db2.gz	GLXSUFMNSNGURS-QFIPXVFZSA-N	1	0	468.506	2.615	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000013730163	555603038	/nfs/dbraw/zinc/60/30/38/555603038.db2.gz	PPKHCGDDNLXMFG-NRFANRHFSA-N	1	0	458.486	2.991	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219328	555713836	/nfs/dbraw/zinc/71/38/36/555713836.db2.gz	UBVCOGJKLKHRBH-QFIPXVFZSA-N	1	0	480.517	2.774	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020231225	555721443	/nfs/dbraw/zinc/72/14/43/555721443.db2.gz	MPLLXUGXIVKLAW-OAQYLSRUSA-N	1	0	467.478	2.896	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1C	ZINC000024147252	556123792	/nfs/dbraw/zinc/12/37/92/556123792.db2.gz	AVHXMRNWTYOEKG-SANMLTNESA-N	1	0	463.534	2.664	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193195	556126310	/nfs/dbraw/zinc/12/63/10/556126310.db2.gz	FWNRLNJWCCOKJC-CHAGWJKLSA-N	1	0	475.545	2.671	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193225	556126683	/nfs/dbraw/zinc/12/66/83/556126683.db2.gz	HAPCKRBBHIJKSW-HPGBDJQBSA-N	1	0	487.556	2.837	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000017167271	556230358	/nfs/dbraw/zinc/23/03/58/556230358.db2.gz	SCJDKZKCFMQTQE-IFXCNKOCSA-N	1	0	461.587	2.941	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1	ZINC000013127574	556343763	/nfs/dbraw/zinc/34/37/63/556343763.db2.gz	ADEZUDIQZPKPMG-FQEVSTJZSA-N	1	0	454.527	2.733	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102865267	569825534	/nfs/dbraw/zinc/82/55/34/569825534.db2.gz	PSARUJBWYHGEEL-QOJBNDRUSA-N	1	0	457.502	2.931	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102933245	569829075	/nfs/dbraw/zinc/82/90/75/569829075.db2.gz	ZBSQKVQJHVZHKM-IAMBOQNYSA-N	1	0	478.549	2.952	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000103689735	569837147	/nfs/dbraw/zinc/83/71/47/569837147.db2.gz	SCJDKZKCFMQTQE-IYCJUYGXSA-N	1	0	461.587	2.941	50	30		JFEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)OCO3)C1	ZINC000252441445	570080606	/nfs/dbraw/zinc/08/06/06/570080606.db2.gz	WDCOVTZGGYQYCJ-KXZPLDGJSA-N	1	0	469.470	2.904	50	30	biogenic	JFEARO
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[NH+]2CCCC2)cc1	ZINC000009950762	195033511	/nfs/dbraw/zinc/03/35/11/195033511.db2.gz	FYUPNXDMUKMXKU-DEOSSOPVSA-N	1	0	496.633	2.921	50	30		JFEARO
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)CC1	ZINC000012906130	195179852	/nfs/dbraw/zinc/17/98/52/195179852.db2.gz	QIARUXOBOVCCER-DEOSSOPVSA-N	1	0	480.615	2.832	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102521403	130173910	/nfs/dbraw/zinc/17/39/10/130173910.db2.gz	HLRPYPDUDDLGMZ-QOJBNDRUSA-N	1	0	484.509	2.700	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102522927	130175255	/nfs/dbraw/zinc/17/52/55/130175255.db2.gz	BAXHHMSTJYIGPG-AYWGPLOBSA-N	1	0	482.533	2.848	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102528976	130182316	/nfs/dbraw/zinc/18/23/16/130182316.db2.gz	BDLNBUINEUNJHU-OBVHCKHUSA-N	1	0	469.538	2.800	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102532511	130186418	/nfs/dbraw/zinc/18/64/18/130186418.db2.gz	KYWNVPCLANSZDX-HOGKFDNTSA-N	1	0	452.507	2.840	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102741243	130285195	/nfs/dbraw/zinc/28/51/95/130285195.db2.gz	JQOVCKXQUMWJBE-NHFXJNLRSA-N	1	0	456.470	2.604	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102740860	130285274	/nfs/dbraw/zinc/28/52/74/130285274.db2.gz	RGRCHGSHZCHSHS-NHFXJNLRSA-N	1	0	456.470	2.604	50	30		JFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(OC)c1OC	ZINC000102751681	130290212	/nfs/dbraw/zinc/29/02/12/130290212.db2.gz	UVUZHOKRCRXUCJ-NHFXJNLRSA-N	1	0	458.486	2.835	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102863624	130335122	/nfs/dbraw/zinc/33/51/22/130335122.db2.gz	USBZSJABXZNCOF-IAMBOQNYSA-N	1	0	499.564	2.809	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102863698	130335257	/nfs/dbraw/zinc/33/52/57/130335257.db2.gz	GAAMFUFXICQFGQ-PGVNHDJNSA-N	1	0	476.533	2.721	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309038	518298059	/nfs/dbraw/zinc/29/80/59/518298059.db2.gz	BXZMNULLCJETOR-URXFXBBRSA-N	1	0	486.634	2.602	50	30		JFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2	ZINC000014748470	519288275	/nfs/dbraw/zinc/28/82/75/519288275.db2.gz	VMJFZFGQOXZGSU-QFIPXVFZSA-N	1	0	464.610	2.737	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009234399	519778563	/nfs/dbraw/zinc/77/85/63/519778563.db2.gz	ZWVZZYFFGZKDGA-HSZRJFAPSA-N	1	0	494.548	2.866	50	30		JFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1	ZINC000009185094	520596643	/nfs/dbraw/zinc/59/66/43/520596643.db2.gz	STIJNBMNPFYKCX-OBVHCKHUSA-N	1	0	468.554	2.967	50	30		JFEARO
CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000009579791	521700687	/nfs/dbraw/zinc/70/06/87/521700687.db2.gz	AKYYOUDPKZNYCA-FQEVSTJZSA-N	1	0	488.592	2.755	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH2+]CCO)ccc1O	ZINC000015080870	522955306	/nfs/dbraw/zinc/95/53/06/522955306.db2.gz	IEWUJBWRUURQCG-FQEVSTJZSA-N	1	0	460.914	2.605	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000016730910	523556791	/nfs/dbraw/zinc/55/67/91/523556791.db2.gz	DAYUULMYUUUQKQ-FQEVSTJZSA-N	1	0	455.467	2.752	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000009046802	524021020	/nfs/dbraw/zinc/02/10/20/524021020.db2.gz	VZBYROZUDKATKY-OAQYLSRUSA-N	1	0	469.538	2.957	50	30	biogenic	JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000004039464	524021637	/nfs/dbraw/zinc/02/16/37/524021637.db2.gz	BISPJIANTFGQEH-HXUWFJFHSA-N	1	0	455.511	2.567	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000009312650	525383654	/nfs/dbraw/zinc/38/36/54/525383654.db2.gz	JGGDEBLOWSSJBJ-AYWGPLOBSA-N	1	0	482.533	2.848	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc1	ZINC000102436490	536103410	/nfs/dbraw/zinc/10/34/10/536103410.db2.gz	KRJFEQANKSQSTH-ZHHPLPSFSA-N	1	0	497.617	2.845	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1F	ZINC000102748103	536565768	/nfs/dbraw/zinc/56/57/68/536565768.db2.gz	ZMIKCIMRRAKMLZ-NHFXJNLRSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008740737	554642906	/nfs/dbraw/zinc/64/29/06/554642906.db2.gz	KCQVCQUDAVLPPT-JBCNATCCSA-N	1	0	470.522	2.704	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008981302	554847075	/nfs/dbraw/zinc/84/70/75/554847075.db2.gz	YYFQTCCHMUHTDM-OAQYLSRUSA-N	1	0	497.548	2.735	50	30		JFEARO
CC[NH+]1CCN(c2c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000009461797	555230266	/nfs/dbraw/zinc/23/02/66/555230266.db2.gz	GUGWDOUQKXZNPV-WQRHYEAKSA-N	1	0	459.641	2.565	50	30		JFEARO
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861534	555520230	/nfs/dbraw/zinc/52/02/30/555520230.db2.gz	DDWDKADYHIYZIP-OQRWROFFSA-N	1	0	475.545	2.671	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(F)c3)ccc21	ZINC000013682937	555576507	/nfs/dbraw/zinc/57/65/07/555576507.db2.gz	LBOSKJFELWQDRL-FQEVSTJZSA-N	1	0	453.470	2.801	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000013722016	555597843	/nfs/dbraw/zinc/59/78/43/555597843.db2.gz	ZRQQRDKGUPCWFS-HXUWFJFHSA-N	1	0	456.543	2.584	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013722760	555598155	/nfs/dbraw/zinc/59/81/55/555598155.db2.gz	JSMJMYOQGMWZNB-NRFANRHFSA-N	1	0	456.543	2.584	50	30		JFEARO
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020025025	555603136	/nfs/dbraw/zinc/60/31/36/555603136.db2.gz	ZNDZZWOJYRFGKA-JOCHJYFZSA-N	1	0	485.606	2.775	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000013732403	555604385	/nfs/dbraw/zinc/60/43/85/555604385.db2.gz	ZQYDFRKTESAUFX-OAQYLSRUSA-N	1	0	458.486	2.991	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020193147	555694355	/nfs/dbraw/zinc/69/43/55/555694355.db2.gz	GNUDKHDVSPYYSX-JOCHJYFZSA-N	1	0	468.506	2.963	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020231467	555721292	/nfs/dbraw/zinc/72/12/92/555721292.db2.gz	UWTLPVYTUJMDOU-JOCHJYFZSA-N	1	0	468.506	2.615	50	30		JFEARO
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1	ZINC000014245171	555747453	/nfs/dbraw/zinc/74/74/53/555747453.db2.gz	FWXUKWNRCBGMIL-DEOSSOPVSA-N	1	0	466.607	2.912	50	30		JFEARO
C=CCN1C(=O)NC(=O)[C@](C[NH2+]CCc2ccc(OC)c(OC)c2)(Cc2ccc3c(c2)OCO3)C1=O	ZINC000020289680	555760832	/nfs/dbraw/zinc/76/08/32/555760832.db2.gz	WOFSVRXIOQBNGX-AREMUKBSSA-N	1	0	495.532	2.898	50	30		JFEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147434	556123689	/nfs/dbraw/zinc/12/36/89/556123689.db2.gz	RRKXRJMSJWDKKT-SANMLTNESA-N	1	0	463.534	2.746	50	30		JFEARO
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1	ZINC000012913217	556132076	/nfs/dbraw/zinc/13/20/76/556132076.db2.gz	KKGPXOKLANOPNI-KRWDZBQOSA-N	1	0	456.568	2.679	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000016734930	556156165	/nfs/dbraw/zinc/15/61/65/556156165.db2.gz	QGEFFTIWXHXCNC-VWLOTQADSA-N	1	0	451.498	2.876	50	30		JFEARO
COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[NH+]1CCCC1	ZINC000013127450	556343547	/nfs/dbraw/zinc/34/35/47/556343547.db2.gz	GFELKNFYQOWMOU-XMMPIXPASA-N	1	0	496.633	2.921	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036313408	569760764	/nfs/dbraw/zinc/76/07/64/569760764.db2.gz	XJHKJEXWAYXENS-UXHICEINSA-N	1	0	475.561	2.862	50	30		JFEARO
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000100607205	569765562	/nfs/dbraw/zinc/76/55/62/569765562.db2.gz	CXABBZNOMGYCPW-HFEWCJDKSA-N	1	0	481.549	2.966	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102865265	569825552	/nfs/dbraw/zinc/82/55/52/569825552.db2.gz	PSARUJBWYHGEEL-ASBZNUFUSA-N	1	0	457.502	2.931	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)c1C	ZINC000102928749	569827415	/nfs/dbraw/zinc/82/74/15/569827415.db2.gz	BVEPTLBPXQSQBY-QOJBNDRUSA-N	1	0	457.502	2.931	50	30		JFEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102934704	569829192	/nfs/dbraw/zinc/82/91/92/569829192.db2.gz	GPPQKFPVAGYOAJ-PGVNHDJNSA-N	1	0	463.494	2.924	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102483164	130136429	/nfs/dbraw/zinc/13/64/29/130136429.db2.gz	JWIAIMNOLBKQRX-QOJBNDRUSA-N	1	0	463.494	2.843	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000102512082	130165949	/nfs/dbraw/zinc/16/59/49/130165949.db2.gz	AYRWGFJCERKRHN-GHNGSUTGSA-N	1	0	475.567	2.769	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000102528967	130182148	/nfs/dbraw/zinc/18/21/48/130182148.db2.gz	BDLNBUINEUNJHU-PGVNHDJNSA-N	1	0	469.538	2.800	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102541140	130196963	/nfs/dbraw/zinc/19/69/63/130196963.db2.gz	AWWBPJQEQFUSOF-PGVNHDJNSA-N	1	0	464.522	2.643	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102700330	130246500	/nfs/dbraw/zinc/24/65/00/130246500.db2.gz	OVFBBZKQTCQSDH-YDJIHCHBSA-N	1	0	458.511	2.987	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102860596	130331513	/nfs/dbraw/zinc/33/15/13/130331513.db2.gz	ZLKQTTMEYPEILV-OBVHCKHUSA-N	1	0	497.548	2.578	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1	ZINC000036309309	518296384	/nfs/dbraw/zinc/29/63/84/518296384.db2.gz	VUTGIDXRDBPHMC-RDPSFJRHSA-N	1	0	486.634	2.984	50	30		JFEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009243165	519010529	/nfs/dbraw/zinc/01/05/29/519010529.db2.gz	MLNBCGJCLBYMRD-MOBKVPTQSA-N	1	0	452.507	2.949	50	30		JFEARO
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000022809855	519046298	/nfs/dbraw/zinc/04/62/98/519046298.db2.gz	CEEMCFAATZFGNA-DEOSSOPVSA-N	1	0	477.561	2.744	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1	ZINC000009123739	520649097	/nfs/dbraw/zinc/64/90/97/520649097.db2.gz	ZYIXAQDJTCIYDT-QOJBNDRUSA-N	1	0	454.527	2.577	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009271469	521360271	/nfs/dbraw/zinc/36/02/71/521360271.db2.gz	XPIMJSXZQPAZBZ-HXUWFJFHSA-N	1	0	484.509	2.856	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000009270997	521360851	/nfs/dbraw/zinc/36/08/51/521360851.db2.gz	AMVFWWPJKKJWGJ-OAQYLSRUSA-N	1	0	469.538	2.957	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020357741	521730960	/nfs/dbraw/zinc/73/09/60/521730960.db2.gz	SBEWGDSVXYKFCN-MHZLTWQESA-N	1	0	491.544	2.509	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000009333792	524107365	/nfs/dbraw/zinc/10/73/65/524107365.db2.gz	YQDZTHKIURPTGP-OAQYLSRUSA-N	1	0	464.522	2.800	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000008744130	524169015	/nfs/dbraw/zinc/16/90/15/524169015.db2.gz	SAPVZRLGBCTWHH-MOBKVPTQSA-N	1	0	452.507	2.840	50	30		JFEARO
Cc1ccccc1N1CC[NH+](C[C@H](O)Cn2c3ccccc3n3c2c(C#N)c(C)cc3=O)CC1	ZINC000020472817	525224744	/nfs/dbraw/zinc/22/47/44/525224744.db2.gz	JVBZYEJFUGOLQV-NRFANRHFSA-N	1	0	455.562	2.926	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2cccs2)cc1	ZINC000102369230	534968213	/nfs/dbraw/zinc/96/82/13/534968213.db2.gz	HLMYPXOAOSQUMH-JBCNATCCSA-N	1	0	455.580	2.862	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102437280	536564953	/nfs/dbraw/zinc/56/49/53/536564953.db2.gz	UWAAQNDFUDLDBV-MRJHHRETSA-N	1	0	455.942	2.676	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1F	ZINC000102748101	536565477	/nfs/dbraw/zinc/56/54/77/536565477.db2.gz	ZMIKCIMRRAKMLZ-YDJIHCHBSA-N	1	0	458.486	2.835	50	30		JFEARO
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000008744004	554646893	/nfs/dbraw/zinc/64/68/93/554646893.db2.gz	GXXXDWCTGCZZTH-HOGKFDNTSA-N	1	0	485.606	2.619	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000008835985	554735483	/nfs/dbraw/zinc/73/54/83/554735483.db2.gz	LDAJJLBPGZNJND-NRFANRHFSA-N	1	0	485.537	2.575	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000008985232	554848786	/nfs/dbraw/zinc/84/87/86/554848786.db2.gz	LSPAAODKSYWWBT-OAQYLSRUSA-N	1	0	476.533	2.878	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008987959	554850494	/nfs/dbraw/zinc/85/04/94/554850494.db2.gz	APEMUQOQONXZRT-HXUWFJFHSA-N	1	0	484.509	2.856	50	30		JFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013550332	555491266	/nfs/dbraw/zinc/49/12/66/555491266.db2.gz	IWMRNEKEUBONNS-FQEVSTJZSA-N	1	0	453.451	2.506	50	30		JFEARO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861532	555520247	/nfs/dbraw/zinc/52/02/47/555520247.db2.gz	DDWDKADYHIYZIP-JWIGPWBQSA-N	1	0	475.545	2.671	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000019928274	555543619	/nfs/dbraw/zinc/54/36/19/555543619.db2.gz	ZJHIEBBPHYOHBG-HXUWFJFHSA-N	1	0	491.997	2.730	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1F	ZINC000013690660	555584858	/nfs/dbraw/zinc/58/48/58/555584858.db2.gz	YMOOZISXBDWCJD-FQEVSTJZSA-N	1	0	458.486	2.991	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020193136	555694336	/nfs/dbraw/zinc/69/43/36/555694336.db2.gz	YMJNERGPFAQSLG-FQEVSTJZSA-N	1	0	453.451	2.854	50	30		JFEARO
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1	ZINC000014245170	555747511	/nfs/dbraw/zinc/74/75/11/555747511.db2.gz	FWXUKWNRCBGMIL-XMMPIXPASA-N	1	0	466.607	2.912	50	30		JFEARO
C=CC[NH+](CC=C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(C)C	ZINC000023074874	556004524	/nfs/dbraw/zinc/00/45/24/556004524.db2.gz	DDXBISAKAPOUJA-FQEVSTJZSA-N	1	0	452.577	2.726	50	30		JFEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193223	556126674	/nfs/dbraw/zinc/12/66/74/556126674.db2.gz	HAPCKRBBHIJKSW-YMGMXPECSA-N	1	0	487.556	2.837	50	30		JFEARO
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCC[NH+]3CCCCC3)[C@@H]2C1	ZINC000035894760	569723173	/nfs/dbraw/zinc/72/31/73/569723173.db2.gz	HDISGDZFEQBCTA-OZXSUGGESA-N	1	0	488.592	2.936	50	30		JFEARO
C=CCC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036249782	569758139	/nfs/dbraw/zinc/75/81/39/569758139.db2.gz	NUGILHWJYANDSU-QHCPKHFHSA-N	1	0	470.614	2.640	50	30		JFEARO
CC[NH+](CC)CCOc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1OC	ZINC000040151666	569819829	/nfs/dbraw/zinc/81/98/29/569819829.db2.gz	QQPKORHYFZZVIN-UHFFFAOYSA-N	1	0	454.571	2.842	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000102872117	569826032	/nfs/dbraw/zinc/82/60/32/569826032.db2.gz	NXCYKTPWJDNZPU-NXLSWJSLSA-N	1	0	496.560	2.862	50	30		JFEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1	ZINC000245327408	570065328	/nfs/dbraw/zinc/06/53/28/570065328.db2.gz	IYXQFIPECBRFKV-NZQKXSOJSA-N	1	0	472.582	2.867	50	30		JFEARO
COc1c2c(cc3c1[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@+](C)(CC(N)=O)CC3)OCO2	ZINC000247691968	570068772	/nfs/dbraw/zinc/06/87/72/570068772.db2.gz	WPYCUHCFLWDFDL-OOWIMERYSA-O	1	0	488.564	2.859	50	30	biogenic	JFEARO
C#CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248037515	570073184	/nfs/dbraw/zinc/07/31/84/570073184.db2.gz	SWTAJAFUZPRWQC-IFMALSPDSA-N	1	0	456.608	2.894	50	30		JFEARO
N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1	ZINC000009738969	194932317	/nfs/dbraw/zinc/93/23/17/194932317.db2.gz	SCFCYOSBTHBBPL-UHFFFAOYSA-N	1	0	466.607	2.871	50	30		JFEARO
COc1cc(/C=C/C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)ccc1OCC#N	ZINC000058182273	195372680	/nfs/dbraw/zinc/37/26/80/195372680.db2.gz	MHGJDSKBZWXDNY-WEVVVXLNSA-N	1	0	462.550	2.989	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102494940	130149244	/nfs/dbraw/zinc/14/92/44/130149244.db2.gz	RNVPLSOQLGPWDT-IAMBOQNYSA-N	1	0	499.564	2.809	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c1C	ZINC000102520382	130173065	/nfs/dbraw/zinc/17/30/65/130173065.db2.gz	VBVOVFYFUIOYCT-QOJBNDRUSA-N	1	0	454.527	2.577	50	30		JFEARO
CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102587898	130217858	/nfs/dbraw/zinc/21/78/58/130217858.db2.gz	LCIABYSFVABTPA-MOBKVPTQSA-N	1	0	451.523	2.507	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000102736112	130280620	/nfs/dbraw/zinc/28/06/20/130280620.db2.gz	KCLDTBLEYDEIMO-JBCNATCCSA-N	1	0	458.486	2.835	50	30		JFEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)c(C)n1	ZINC000102749083	130289086	/nfs/dbraw/zinc/28/90/86/130289086.db2.gz	GWYMJQCHYVAREB-GHNGSUTGSA-N	1	0	459.344	2.839	50	30		JFEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102864279	130335961	/nfs/dbraw/zinc/33/59/61/130335961.db2.gz	UIHDCDHSZNDZJT-PGVNHDJNSA-N	1	0	463.494	2.924	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036309341	518297544	/nfs/dbraw/zinc/29/75/44/518297544.db2.gz	HJQCCYCREDXKRN-UNMCSNQZSA-N	1	0	486.634	2.984	50	30		JFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1	ZINC000009186612	520596482	/nfs/dbraw/zinc/59/64/82/520596482.db2.gz	GKXZDZSDEMZKCS-OBVHCKHUSA-N	1	0	468.554	2.967	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009235172	521360662	/nfs/dbraw/zinc/36/06/62/521360662.db2.gz	RFKKYFDYZBTEKG-JOCHJYFZSA-N	1	0	499.564	2.965	50	30		JFEARO
CC[NH+]=C(NCc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000012411854	521509448	/nfs/dbraw/zinc/50/94/48/521509448.db2.gz	BUEHPYQPARQBJN-IBGZPJMESA-N	1	0	469.519	2.733	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009349791	522164603	/nfs/dbraw/zinc/16/46/03/522164603.db2.gz	JIBHJOMOJZPCPA-OYHNWAKOSA-N	1	0	464.518	2.937	50	30		JFEARO
COc1cc(OC)c([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000020443640	522834032	/nfs/dbraw/zinc/83/40/32/522834032.db2.gz	MWMOEOVTSGVMPM-NRFANRHFSA-N	1	0	455.511	2.637	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000009270275	523372202	/nfs/dbraw/zinc/37/22/02/523372202.db2.gz	VULCMNAPGRCBIZ-JBCNATCCSA-N	1	0	469.494	2.985	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c1C	ZINC000004039423	524020730	/nfs/dbraw/zinc/02/07/30/524020730.db2.gz	HBQXMGFHKINTKH-OAQYLSRUSA-N	1	0	485.537	2.575	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c1C	ZINC000004039422	524020893	/nfs/dbraw/zinc/02/08/93/524020893.db2.gz	HBQXMGFHKINTKH-NRFANRHFSA-N	1	0	485.537	2.575	50	30		JFEARO
Cc1cc(C)c[n+](C2=C(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3C2=O)c1	ZINC000003198096	524351584	/nfs/dbraw/zinc/35/15/84/524351584.db2.gz	WKAYZULJDRBWMR-UHFFFAOYSA-O	1	0	464.479	2.725	50	30		JFEARO
Cc1ccccc1N1CC[NH+](C[C@@H](O)Cn2c3ccccc3n3c2c(C#N)c(C)cc3=O)CC1	ZINC000020472815	525224305	/nfs/dbraw/zinc/22/43/05/525224305.db2.gz	JVBZYEJFUGOLQV-OAQYLSRUSA-N	1	0	455.562	2.926	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102368844	534968150	/nfs/dbraw/zinc/96/81/50/534968150.db2.gz	HJIKVZBSCRXZAB-AYWGPLOBSA-N	1	0	494.548	2.709	50	30		JFEARO
CCCCCCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000095551164	534989528	/nfs/dbraw/zinc/98/95/28/534989528.db2.gz	UDWUIJMDHYWFKE-UHFFFAOYSA-N	1	0	466.630	2.722	50	30		JFEARO
C=Cn1cc[n+](C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000002303121	554140469	/nfs/dbraw/zinc/14/04/69/554140469.db2.gz	OWCAORQISXQCOH-UHFFFAOYSA-O	1	0	485.339	2.865	50	30		JFEARO
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[NH+]2CCCC2)c1	ZINC000008919676	554816466	/nfs/dbraw/zinc/81/64/66/554816466.db2.gz	YXYYDQSLAFXVDI-XMMPIXPASA-N	1	0	496.633	2.921	50	30		JFEARO
COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[NH+]1CCCC1	ZINC000009782499	555503277	/nfs/dbraw/zinc/50/32/77/555503277.db2.gz	PBDPWSJHZHKDDQ-HSZRJFAPSA-N	1	0	496.633	2.921	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000019885693	555528828	/nfs/dbraw/zinc/52/88/28/555528828.db2.gz	FZXCHFXTPYCEQB-NRFANRHFSA-N	1	0	455.942	2.832	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000013682853	555576299	/nfs/dbraw/zinc/57/62/99/555576299.db2.gz	QCTJWAVMIKVEDY-NRFANRHFSA-N	1	0	458.486	2.991	50	30		JFEARO
CC1(C)Cc2c(C#N)c(SCC(=O)NCCc3ccccc3)nc(N3CC[NH2+]CC3)c2CO1	ZINC000013692723	555587368	/nfs/dbraw/zinc/58/73/68/555587368.db2.gz	KHVRUYXZHXLCIU-UHFFFAOYSA-N	1	0	465.623	2.665	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1	ZINC000020024598	555602653	/nfs/dbraw/zinc/60/26/53/555602653.db2.gz	JRIWBNVLGHYEDT-LJQANCHMSA-N	1	0	477.608	2.528	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219329	555713778	/nfs/dbraw/zinc/71/37/78/555713778.db2.gz	UBVCOGJKLKHRBH-JOCHJYFZSA-N	1	0	480.517	2.774	50	30		JFEARO
C=CC[NH+](CC=C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(C)C	ZINC000023074872	556004549	/nfs/dbraw/zinc/00/45/49/556004549.db2.gz	DDXBISAKAPOUJA-HXUWFJFHSA-N	1	0	452.577	2.726	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024192903	556125673	/nfs/dbraw/zinc/12/56/73/556125673.db2.gz	LYUQAXBKQUETBN-RUZDIDTESA-N	1	0	451.498	2.795	50	30		JFEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024192906	556125796	/nfs/dbraw/zinc/12/57/96/556125796.db2.gz	IJXWEBCOHARXLO-AREMUKBSSA-N	1	0	463.509	2.961	50	30		JFEARO
C=CC[NH+](CC=C)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C	ZINC000032810026	556500172	/nfs/dbraw/zinc/50/01/72/556500172.db2.gz	WDSNIRDWJDBVJA-JOCHJYFZSA-N	1	0	475.659	2.571	50	30		JFEARO
CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000032933069	556548462	/nfs/dbraw/zinc/54/84/62/556548462.db2.gz	CIHTURZGQBIHSA-UHFFFAOYSA-N	1	0	458.584	2.529	50	30		JFEARO
C=CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249716	569757910	/nfs/dbraw/zinc/75/79/10/569757910.db2.gz	CPPDPIZWZYEQTB-NRFANRHFSA-N	1	0	463.550	2.719	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000103689731	569837092	/nfs/dbraw/zinc/83/70/92/569837092.db2.gz	SCJDKZKCFMQTQE-QSAXNBNMSA-N	1	0	461.587	2.941	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1	ZINC000245280909	570062166	/nfs/dbraw/zinc/06/21/66/570062166.db2.gz	VUTGIDXRDBPHMC-HYBUGGRVSA-N	1	0	486.634	2.984	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245326578	570064889	/nfs/dbraw/zinc/06/48/89/570064889.db2.gz	GECHBLIUADRXSI-XUZZJYLKSA-N	1	0	468.619	2.976	50	30		JFEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009353823	124112938	/nfs/dbraw/zinc/11/29/38/124112938.db2.gz	OYZRBYVFURRCTC-MOBKVPTQSA-N	1	0	452.507	2.840	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102507735	130162059	/nfs/dbraw/zinc/16/20/59/130162059.db2.gz	YYCCGWCMPMXIMR-HFEWCJDKSA-N	1	0	478.549	2.952	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1	ZINC000102538597	130193561	/nfs/dbraw/zinc/19/35/61/130193561.db2.gz	QNROZQWKVWBMPE-ASBZNUFUSA-N	1	0	454.527	2.577	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c1C	ZINC000102543527	130199908	/nfs/dbraw/zinc/19/99/08/130199908.db2.gz	DIHWUFHWFQKZKZ-ASBZNUFUSA-N	1	0	457.502	2.931	50	30		JFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(OC)c1OC	ZINC000102751679	130290253	/nfs/dbraw/zinc/29/02/53/130290253.db2.gz	UVUZHOKRCRXUCJ-YDJIHCHBSA-N	1	0	458.486	2.835	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000102879366	130354021	/nfs/dbraw/zinc/35/40/21/130354021.db2.gz	GRILFZIGGKYGFD-OBVHCKHUSA-N	1	0	499.564	2.809	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1	ZINC000036308948	518297030	/nfs/dbraw/zinc/29/70/30/518297030.db2.gz	HQVAZNYXVKROPA-RDPSFJRHSA-N	1	0	484.618	2.737	50	30		JFEARO
C=CCn1c2ccccc2n(CC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c(=O)c1=O	ZINC000033268747	519264226	/nfs/dbraw/zinc/26/42/26/519264226.db2.gz	DUPUMBHMLKRTRN-UHFFFAOYSA-N	1	0	474.605	2.810	50	30		JFEARO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	ZINC000020455075	519331664	/nfs/dbraw/zinc/33/16/64/519331664.db2.gz	DVJQYRTYSKNDLO-UHFFFAOYSA-N	1	0	461.541	2.528	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009349788	522172203	/nfs/dbraw/zinc/17/22/03/522172203.db2.gz	JIBHJOMOJZPCPA-NYHFZMIOSA-N	1	0	464.518	2.937	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000009270488	523372272	/nfs/dbraw/zinc/37/22/72/523372272.db2.gz	VULCMNAPGRCBIZ-MRJHHRETSA-N	1	0	469.494	2.985	50	30		JFEARO
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CC[NH+](C)C)c4ncn3n2)cc1OC	ZINC000009410634	523452537	/nfs/dbraw/zinc/45/25/37/523452537.db2.gz	DLTOSUKCOVYFRY-BRJLIKDPSA-N	1	0	451.531	2.825	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000009271325	524020967	/nfs/dbraw/zinc/02/09/67/524020967.db2.gz	NUUHMUZAWNBHQV-NRFANRHFSA-N	1	0	499.564	2.965	50	30	biogenic	JFEARO
Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccccc4n4c3c(C#N)c(C)cc4=O)CC2)cc1	ZINC000020478368	524962415	/nfs/dbraw/zinc/96/24/15/524962415.db2.gz	OEISZUVVAYNVBQ-JOCHJYFZSA-N	1	0	455.562	2.926	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009123371	527092472	/nfs/dbraw/zinc/09/24/72/527092472.db2.gz	CDEOBMAMVYIHPR-FQEVSTJZSA-N	1	0	463.494	2.999	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102731995	535832990	/nfs/dbraw/zinc/83/29/90/535832990.db2.gz	ZNNVLFMJHBEKJY-MRJHHRETSA-N	1	0	467.478	2.739	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102721535	535833845	/nfs/dbraw/zinc/83/38/45/535833845.db2.gz	IMLXFECZWBZOMV-MRJHHRETSA-N	1	0	467.478	2.739	50	30		JFEARO
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[NH+]2CCCC2)c1	ZINC000008919690	554816541	/nfs/dbraw/zinc/81/65/41/554816541.db2.gz	YXYYDQSLAFXVDI-DEOSSOPVSA-N	1	0	496.633	2.921	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008987577	554850165	/nfs/dbraw/zinc/85/01/65/554850165.db2.gz	ZTYCJMGHETUPEQ-MOBKVPTQSA-N	1	0	470.522	2.704	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1	ZINC000019883250	555527734	/nfs/dbraw/zinc/52/77/34/555527734.db2.gz	WWPNMJNLKYLLIT-OAQYLSRUSA-N	1	0	489.569	2.606	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000019928271	555543508	/nfs/dbraw/zinc/54/35/08/555543508.db2.gz	ZJHIEBBPHYOHBG-FQEVSTJZSA-N	1	0	491.997	2.730	50	30		JFEARO
COc1ccc(NC(=O)CSc2nc(N3CC[NH2+]CC3)c3c(c2C#N)CC(C)(C)OC3)c(OC)c1	ZINC000013656399	555555175	/nfs/dbraw/zinc/55/51/75/555555175.db2.gz	BCDOUSNZGMBGGY-UHFFFAOYSA-N	1	0	497.621	2.962	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000019957186	555572063	/nfs/dbraw/zinc/57/20/63/555572063.db2.gz	RQKORJZYZFHFMV-FQEVSTJZSA-N	1	0	458.486	2.991	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1F	ZINC000013690659	555584832	/nfs/dbraw/zinc/58/48/32/555584832.db2.gz	YMOOZISXBDWCJD-HXUWFJFHSA-N	1	0	458.486	2.991	50	30		JFEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)c(C)n1	ZINC000013690775	555584847	/nfs/dbraw/zinc/58/48/47/555584847.db2.gz	NNFUKCQFQUUJOC-SFHVURJKSA-N	1	0	459.344	2.996	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020228081	555718652	/nfs/dbraw/zinc/71/86/52/555718652.db2.gz	XNHVWCQEUBHTRR-JOCHJYFZSA-N	1	0	452.507	2.996	50	30		JFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020230156	555720657	/nfs/dbraw/zinc/72/06/57/555720657.db2.gz	WYTDYBMHXOIXOB-FQEVSTJZSA-N	1	0	453.451	2.506	50	30		JFEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024147363	556123666	/nfs/dbraw/zinc/12/36/66/556123666.db2.gz	BXRUYEBOSQTWJT-RUZDIDTESA-N	1	0	451.498	2.876	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1C	ZINC000024147248	556123716	/nfs/dbraw/zinc/12/37/16/556123716.db2.gz	AVHXMRNWTYOEKG-AREMUKBSSA-N	1	0	463.534	2.664	50	30		JFEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193222	556126633	/nfs/dbraw/zinc/12/66/33/556126633.db2.gz	HAPCKRBBHIJKSW-JYRCXFKTSA-N	1	0	487.556	2.837	50	30		JFEARO
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)C[C@H]1OC	ZINC000016750513	556157247	/nfs/dbraw/zinc/15/72/47/556157247.db2.gz	NGYYJZPVJRGOGG-PNDGYVOYSA-N	1	0	468.550	2.653	50	30		JFEARO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036313409	569760776	/nfs/dbraw/zinc/76/07/76/569760776.db2.gz	XJHKJEXWAYXENS-PMACEKPBSA-N	1	0	475.561	2.862	50	30		JFEARO
C=CCn1c2ncn(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)c2sc1=S	ZINC000040068599	569815460	/nfs/dbraw/zinc/81/54/60/569815460.db2.gz	HHZFTQRZSQPGPP-UHFFFAOYSA-N	1	0	455.609	2.956	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c1C	ZINC000103965383	569839621	/nfs/dbraw/zinc/83/96/21/569839621.db2.gz	NFLQSSIXHZMOIV-IAMBOQNYSA-N	1	0	499.564	2.809	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000105003769	569849469	/nfs/dbraw/zinc/84/94/69/569849469.db2.gz	HJQCCYCREDXKRN-RBBKRZOGSA-N	1	0	486.634	2.984	50	30		JFEARO
COc1c2c(cc3c1[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@+](C)(CC(N)=O)CC3)OCO2	ZINC000247691973	570068836	/nfs/dbraw/zinc/06/88/36/570068836.db2.gz	WPYCUHCFLWDFDL-VVFBEHOQSA-O	1	0	488.564	2.859	50	30	biogenic	JFEARO
Cc1[nH][n+]([C@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(Cl)cc1	ZINC000334159185	570184435	/nfs/dbraw/zinc/18/44/35/570184435.db2.gz	XDABTMHFHJLFIO-MBBOSUJBSA-P	1	0	452.989	2.525	50	30		JFEARO
COc1cc(/C=C\C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)ccc1OCC#N	ZINC000096315813	130058443	/nfs/dbraw/zinc/05/84/43/130058443.db2.gz	MHGJDSKBZWXDNY-UITAMQMPSA-N	1	0	462.550	2.989	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c1C	ZINC000102488772	130142659	/nfs/dbraw/zinc/14/26/59/130142659.db2.gz	ZAOULCNWPJILSJ-QOJBNDRUSA-N	1	0	454.527	2.577	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c1C	ZINC000102520372	130173005	/nfs/dbraw/zinc/17/30/05/130173005.db2.gz	VBVOVFYFUIOYCT-ASBZNUFUSA-N	1	0	454.527	2.577	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102859139	130329525	/nfs/dbraw/zinc/32/95/25/130329525.db2.gz	NHSALAGZYPZRDI-QOJBNDRUSA-N	1	0	457.502	2.931	50	30		JFEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1	ZINC000036309577	518308619	/nfs/dbraw/zinc/30/86/19/518308619.db2.gz	IYXQFIPECBRFKV-OFNKIYASSA-N	1	0	472.582	2.867	50	30		JFEARO
C#CCn1c2cc(OC)ccc2cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)c1=O	ZINC000014952821	518341825	/nfs/dbraw/zinc/34/18/25/518341825.db2.gz	XDEJRFCQSVKNRA-OAQYLSRUSA-N	1	0	465.594	2.883	50	30		JFEARO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249825	518986504	/nfs/dbraw/zinc/98/65/04/518986504.db2.gz	MJDJVXCBSMMMBU-VXKWHMMOSA-N	1	0	457.571	2.723	50	30		JFEARO
C=CCn1cc(C(=O)NCC[NH+]2CCCCCC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000009731227	519275008	/nfs/dbraw/zinc/27/50/08/519275008.db2.gz	DMCMTQVHIMTRNW-UHFFFAOYSA-N	1	0	488.654	2.824	50	30		JFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2	ZINC000014748471	519289950	/nfs/dbraw/zinc/28/99/50/519289950.db2.gz	VMJFZFGQOXZGSU-JOCHJYFZSA-N	1	0	464.610	2.737	50	30		JFEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009353821	521234244	/nfs/dbraw/zinc/23/42/44/521234244.db2.gz	OYZRBYVFURRCTC-HOGKFDNTSA-N	1	0	452.507	2.840	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c1C	ZINC000004039246	521360011	/nfs/dbraw/zinc/36/00/11/521360011.db2.gz	UEOCAYKAVXNGBB-HXUWFJFHSA-N	1	0	454.527	2.733	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000004039838	521361426	/nfs/dbraw/zinc/36/14/26/521361426.db2.gz	OEWDYLWFHUJFFA-OAQYLSRUSA-N	1	0	499.564	2.965	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020357738	521731215	/nfs/dbraw/zinc/73/12/15/521731215.db2.gz	SBEWGDSVXYKFCN-HHHXNRCGSA-N	1	0	491.544	2.509	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000020219574	522956307	/nfs/dbraw/zinc/95/63/07/522956307.db2.gz	URBQFHVHPVYTQJ-FQEVSTJZSA-N	1	0	455.511	2.637	50	30		JFEARO
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CCC[NH+]5CCOCC5)c4ncn3n2)cc1	ZINC000020573201	523452395	/nfs/dbraw/zinc/45/23/95/523452395.db2.gz	LSDWKGQYJXVOHX-JFLMPSFJSA-N	1	0	477.569	2.977	50	30		JFEARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)N3CC[NH+](C)CC3)ccc21	ZINC000022735157	523916939	/nfs/dbraw/zinc/91/69/39/523916939.db2.gz	ARDGXCKPERHVDM-DEOSSOPVSA-N	1	0	495.027	2.637	50	30		JFEARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)N3CC[NH+](C)CC3)ccc21	ZINC000022735160	523919292	/nfs/dbraw/zinc/91/92/92/523919292.db2.gz	ARDGXCKPERHVDM-XMMPIXPASA-N	1	0	495.027	2.637	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000004039873	524020803	/nfs/dbraw/zinc/02/08/03/524020803.db2.gz	UBUINVOZDRIFFQ-HXUWFJFHSA-N	1	0	455.511	2.567	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c1C	ZINC000009275626	524021139	/nfs/dbraw/zinc/02/11/39/524021139.db2.gz	WWRADKIBTLWNIY-QFIPXVFZSA-N	1	0	499.564	2.965	50	30	biogenic	JFEARO
CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1	ZINC000016742205	524054596	/nfs/dbraw/zinc/05/45/96/524054596.db2.gz	XBJXMQAMVFFFPS-NRFANRHFSA-N	1	0	489.569	2.606	50	30		JFEARO
CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1	ZINC000016742206	524055084	/nfs/dbraw/zinc/05/50/84/524055084.db2.gz	XBJXMQAMVFFFPS-OAQYLSRUSA-N	1	0	489.569	2.606	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102368800	534967823	/nfs/dbraw/zinc/96/78/23/534967823.db2.gz	KZEXGMGZCMALTK-ZHHPLPSFSA-N	1	0	467.541	2.940	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccccc3F)ccc21	ZINC000102748849	535833582	/nfs/dbraw/zinc/83/35/82/535833582.db2.gz	GVVWXOCFEJTVHC-YDJIHCHBSA-N	1	0	453.470	2.644	50	30		JFEARO
CCn1cc[n+](C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000002262471	554122616	/nfs/dbraw/zinc/12/26/16/554122616.db2.gz	GZQRCXBVYAUBTO-UHFFFAOYSA-O	1	0	487.355	2.784	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000008892557	554780965	/nfs/dbraw/zinc/78/09/65/554780965.db2.gz	LDAJJLBPGZNJND-OAQYLSRUSA-N	1	0	485.537	2.575	50	30		JFEARO
CC[NH+]1CCN(c2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000013598514	555529797	/nfs/dbraw/zinc/52/97/97/555529797.db2.gz	BCUBLTGIFRNYBY-UNOMPAQXSA-N	1	0	483.619	2.702	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000013693454	555588277	/nfs/dbraw/zinc/58/82/77/555588277.db2.gz	VNOCHWICZQCHCQ-HXUWFJFHSA-N	1	0	456.470	2.761	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000013732057	555604184	/nfs/dbraw/zinc/60/41/84/555604184.db2.gz	LCUUWCOSEOJRRM-OAQYLSRUSA-N	1	0	458.486	2.991	50	30		JFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(OC)c1OC	ZINC000013734601	555605480	/nfs/dbraw/zinc/60/54/80/555605480.db2.gz	ICLCKRHGRJJVGE-FQEVSTJZSA-N	1	0	458.486	2.991	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020193138	555694358	/nfs/dbraw/zinc/69/43/58/555694358.db2.gz	YMJNERGPFAQSLG-HXUWFJFHSA-N	1	0	453.451	2.854	50	30		JFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020230158	555720717	/nfs/dbraw/zinc/72/07/17/555720717.db2.gz	WYTDYBMHXOIXOB-HXUWFJFHSA-N	1	0	453.451	2.506	50	30		JFEARO
C=CC[NH+](CC=C)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C	ZINC000012527145	555995704	/nfs/dbraw/zinc/99/57/04/555995704.db2.gz	MJTIOCZRJXAXAD-NRFANRHFSA-N	1	0	452.577	2.726	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193193	556126318	/nfs/dbraw/zinc/12/63/18/556126318.db2.gz	FWNRLNJWCCOKJC-RKOGDMNLSA-N	1	0	475.545	2.671	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017162161	556229735	/nfs/dbraw/zinc/22/97/35/556229735.db2.gz	ZWVZZYFFGZKDGA-QHCPKHFHSA-N	1	0	494.548	2.866	50	30		JFEARO
COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000018209674	556310442	/nfs/dbraw/zinc/31/04/42/556310442.db2.gz	ZVDRATKXERBKKE-JOCHJYFZSA-N	1	0	452.507	2.996	50	30		JFEARO
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000028960668	556344998	/nfs/dbraw/zinc/34/49/98/556344998.db2.gz	WJBTUWIUAKSAOU-UHFFFAOYSA-N	1	0	483.638	2.735	50	30		JFEARO
Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1	ZINC000067342056	569688488	/nfs/dbraw/zinc/68/84/88/569688488.db2.gz	SFCWJLRLGQCKAM-FGZHOGPDSA-N	1	0	486.663	2.736	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249717	569757956	/nfs/dbraw/zinc/75/79/56/569757956.db2.gz	CPPDPIZWZYEQTB-OAQYLSRUSA-N	1	0	463.550	2.719	50	30		JFEARO
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC[NH+]3CCCCC3)[C@@H]2C1	ZINC000104920252	569847355	/nfs/dbraw/zinc/84/73/55/569847355.db2.gz	HDISGDZFEQBCTA-BVAGGSTKSA-N	1	0	488.592	2.936	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1	ZINC000105004370	569849649	/nfs/dbraw/zinc/84/96/49/569849649.db2.gz	VUTGIDXRDBPHMC-GBXCKJPGSA-N	1	0	486.634	2.984	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1	ZINC000169679596	569869883	/nfs/dbraw/zinc/86/98/83/569869883.db2.gz	URYNQVQNFWNTCV-YKSBVNFPSA-N	1	0	484.618	2.737	50	30		JFEARO
Cc1[nH][n+]([C@@H]2CCS(=O)(=O)C2)c(C)c1C=C1SC(=O)N=C1Nc1ccc(Cl)cc1	ZINC000334159184	570184405	/nfs/dbraw/zinc/18/44/05/570184405.db2.gz	XDABTMHFHJLFIO-GESOSKEOSA-P	1	0	452.989	2.525	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102498036	130152081	/nfs/dbraw/zinc/15/20/81/130152081.db2.gz	JICCUHHCWUPRJQ-JBCNATCCSA-N	1	0	452.507	2.855	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102514740	130168128	/nfs/dbraw/zinc/16/81/28/130168128.db2.gz	GCACQVWGRQZMHS-MOBKVPTQSA-N	1	0	482.533	2.848	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102531162	130184576	/nfs/dbraw/zinc/18/45/76/130184576.db2.gz	CEIOSESUMYVOJI-SELCWUDQSA-N	1	0	457.552	2.920	50	30		JFEARO
COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=[NH+]CCN2CC[NH2+]CC2)cc1	ZINC000102647612	130230375	/nfs/dbraw/zinc/23/03/75/130230375.db2.gz	JDETYRYITMFEQQ-YZSQISJMSA-N	1	0	464.526	2.876	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102743492	130286661	/nfs/dbraw/zinc/28/66/61/130286661.db2.gz	NQIUNVZZKVRERN-MRJHHRETSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102743488	130286673	/nfs/dbraw/zinc/28/66/73/130286673.db2.gz	NQIUNVZZKVRERN-JBCNATCCSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102746366	130287465	/nfs/dbraw/zinc/28/74/65/130287465.db2.gz	RCQDMNBXOZPZCU-MRJHHRETSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102748738	130289061	/nfs/dbraw/zinc/28/90/61/130289061.db2.gz	NGISWSCUEBKTQR-MRJHHRETSA-N	1	0	458.486	2.835	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1	ZINC000036308947	518296028	/nfs/dbraw/zinc/29/60/28/518296028.db2.gz	HQVAZNYXVKROPA-GBXCKJPGSA-N	1	0	484.618	2.737	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c1C	ZINC000009066933	521359675	/nfs/dbraw/zinc/35/96/75/521359675.db2.gz	RCBWSWCIDMXOOS-FQEVSTJZSA-N	1	0	454.527	2.733	50	30		JFEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020546563	521416761	/nfs/dbraw/zinc/41/67/61/521416761.db2.gz	DIFYXSXLUXEWAH-JOCHJYFZSA-N	1	0	452.507	2.996	50	30		JFEARO
COc1cc(OC)c([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000020443645	522830519	/nfs/dbraw/zinc/83/05/19/522830519.db2.gz	MWMOEOVTSGVMPM-OAQYLSRUSA-N	1	0	455.511	2.637	50	30		JFEARO
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014743953	523803956	/nfs/dbraw/zinc/80/39/56/523803956.db2.gz	OGCHXRFDIUCINF-UHFFFAOYSA-N	1	0	490.604	2.649	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000009046808	524021609	/nfs/dbraw/zinc/02/16/09/524021609.db2.gz	LPCMYLUNQOVQPO-NRFANRHFSA-N	1	0	469.538	2.957	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000009339609	524172116	/nfs/dbraw/zinc/17/21/16/524172116.db2.gz	YQDZTHKIURPTGP-NRFANRHFSA-N	1	0	464.522	2.800	50	30		JFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008743407	525758488	/nfs/dbraw/zinc/75/84/88/525758488.db2.gz	FZYVKSADJBXFPL-JBCNATCCSA-N	1	0	470.522	2.704	50	30		JFEARO
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c1C#N	ZINC000020479414	526143735	/nfs/dbraw/zinc/14/37/35/526143735.db2.gz	JZMZJELIIXNAIZ-QFIPXVFZSA-N	1	0	455.562	2.613	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102368798	534967748	/nfs/dbraw/zinc/96/77/48/534967748.db2.gz	KZEXGMGZCMALTK-AYWGPLOBSA-N	1	0	467.541	2.940	50	30		JFEARO
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102894238	535833334	/nfs/dbraw/zinc/83/33/34/535833334.db2.gz	BAQQYSCXIVPTNJ-ZHHPLPSFSA-N	1	0	465.550	2.897	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000102746597	536565264	/nfs/dbraw/zinc/56/52/64/536565264.db2.gz	PIXMFMSGUDZUIJ-JBCNATCCSA-N	1	0	458.486	2.835	50	30		JFEARO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861528	555520241	/nfs/dbraw/zinc/52/02/41/555520241.db2.gz	DDWDKADYHIYZIP-CHAGWJKLSA-N	1	0	475.545	2.671	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000019885691	555528774	/nfs/dbraw/zinc/52/87/74/555528774.db2.gz	FZXCHFXTPYCEQB-OAQYLSRUSA-N	1	0	455.942	2.832	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000013688479	555581671	/nfs/dbraw/zinc/58/16/71/555581671.db2.gz	LKIPUAWKDNRRFT-HXUWFJFHSA-N	1	0	454.527	2.641	50	30		JFEARO
C[N@H+](CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccccc1	ZINC000009983668	555583055	/nfs/dbraw/zinc/58/30/55/555583055.db2.gz	QJTWTJNLJYAZCA-UHFFFAOYSA-N	1	0	454.596	2.597	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000013736193	555606087	/nfs/dbraw/zinc/60/60/87/555606087.db2.gz	ABTHQJOMWDUKTM-NRFANRHFSA-N	1	0	458.486	2.991	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000020219248	555713438	/nfs/dbraw/zinc/71/34/38/555713438.db2.gz	SNQDYWJCDLCVSY-JOCHJYFZSA-N	1	0	468.506	2.615	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219330	555713727	/nfs/dbraw/zinc/71/37/27/555713727.db2.gz	WWKOLJKWMOYKGY-QFIPXVFZSA-N	1	0	452.507	2.996	50	30		JFEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219367	555714159	/nfs/dbraw/zinc/71/41/59/555714159.db2.gz	MPXOCEKXZSAXJZ-OAQYLSRUSA-N	1	0	469.538	2.957	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020231463	555721324	/nfs/dbraw/zinc/72/13/24/555721324.db2.gz	UWTLPVYTUJMDOU-QFIPXVFZSA-N	1	0	468.506	2.615	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193224	556126623	/nfs/dbraw/zinc/12/66/23/556126623.db2.gz	HAPCKRBBHIJKSW-UULLZXFKSA-N	1	0	487.556	2.837	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+]2CCCC2)cc2c1OCO2	ZINC000085413539	569710595	/nfs/dbraw/zinc/71/05/95/569710595.db2.gz	MMLOHFQJHJPPCS-QFIPXVFZSA-N	1	0	494.500	2.827	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000103572495	569836322	/nfs/dbraw/zinc/83/63/22/569836322.db2.gz	CZNRMKQBEZJXCZ-PGVNHDJNSA-N	1	0	499.564	2.809	50	30		JFEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1ccncc1)CN(C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000226818366	570038515	/nfs/dbraw/zinc/03/85/15/570038515.db2.gz	GHAOPEFWAWKIKB-DQMJNTIXSA-N	1	0	480.615	2.776	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245326581	570064987	/nfs/dbraw/zinc/06/49/87/570064987.db2.gz	GECHBLIUADRXSI-ZJSXRUAMSA-N	1	0	468.619	2.976	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102502002	130155897	/nfs/dbraw/zinc/15/58/97/130155897.db2.gz	DGTNMSNVDNLVDS-ASBZNUFUSA-N	1	0	484.509	2.700	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102652945	130232857	/nfs/dbraw/zinc/23/28/57/130232857.db2.gz	QCDIWFKITDXXJT-IXBTYZTBSA-N	1	0	464.518	2.780	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102863699	130335290	/nfs/dbraw/zinc/33/52/90/130335290.db2.gz	GAAMFUFXICQFGQ-OBVHCKHUSA-N	1	0	476.533	2.721	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000102876803	130349415	/nfs/dbraw/zinc/34/94/15/130349415.db2.gz	ZAKPTFAAIZAVSN-PGVNHDJNSA-N	1	0	469.538	2.800	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102880867	130357451	/nfs/dbraw/zinc/35/74/51/130357451.db2.gz	LBXPEMMAPGZIPN-QOJBNDRUSA-N	1	0	484.509	2.700	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000102896436	130378833	/nfs/dbraw/zinc/37/88/33/130378833.db2.gz	RWYZCLZZTCFHLS-HOGKFDNTSA-N	1	0	452.507	2.927	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000009271682	520654210	/nfs/dbraw/zinc/65/42/10/520654210.db2.gz	XYYHVGUKTUYPPV-MRJHHRETSA-N	1	0	469.538	2.871	50	30		JFEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009375198	521234331	/nfs/dbraw/zinc/23/43/31/521234331.db2.gz	DEIZTHAXQLDCNU-ZHHPLPSFSA-N	1	0	482.533	2.848	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c1C	ZINC000009066937	521360045	/nfs/dbraw/zinc/36/00/45/521360045.db2.gz	RCBWSWCIDMXOOS-HXUWFJFHSA-N	1	0	454.527	2.733	50	30		JFEARO
CCC[NH+](CCC)CCNC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1	ZINC000033048809	521646750	/nfs/dbraw/zinc/64/67/50/521646750.db2.gz	ACEMGLMKVOUMLY-UHFFFAOYSA-N	1	0	451.571	2.827	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102731993	535833254	/nfs/dbraw/zinc/83/32/54/535833254.db2.gz	ZNNVLFMJHBEKJY-JBCNATCCSA-N	1	0	467.478	2.739	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102437285	536565599	/nfs/dbraw/zinc/56/55/99/536565599.db2.gz	UWAAQNDFUDLDBV-JBCNATCCSA-N	1	0	455.942	2.676	50	30		JFEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000002489167	554226957	/nfs/dbraw/zinc/22/69/57/554226957.db2.gz	LLPCACGPMKKBSX-HHHXNRCGSA-N	1	0	475.545	2.912	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008817877	554701138	/nfs/dbraw/zinc/70/11/38/554701138.db2.gz	YYFQTCCHMUHTDM-NRFANRHFSA-N	1	0	497.548	2.735	50	30		JFEARO
COc1ccccc1[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[NH+]1CCCC1	ZINC000009782502	555503310	/nfs/dbraw/zinc/50/33/10/555503310.db2.gz	PBDPWSJHZHKDDQ-QHCPKHFHSA-N	1	0	496.633	2.921	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1	ZINC000019883202	555527767	/nfs/dbraw/zinc/52/77/67/555527767.db2.gz	AOEWDBOVZMMWBY-OAQYLSRUSA-N	1	0	489.569	2.606	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000013722411	555597815	/nfs/dbraw/zinc/59/78/15/555597815.db2.gz	PHINJTFRYPMKRX-OAQYLSRUSA-N	1	0	454.527	2.641	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000013732054	555604198	/nfs/dbraw/zinc/60/41/98/555604198.db2.gz	LCUUWCOSEOJRRM-NRFANRHFSA-N	1	0	458.486	2.991	50	30		JFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(OC)c1OC	ZINC000013734603	555605528	/nfs/dbraw/zinc/60/55/28/555605528.db2.gz	ICLCKRHGRJJVGE-HXUWFJFHSA-N	1	0	458.486	2.991	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(C)c(C)cc3O)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020309883	555767719	/nfs/dbraw/zinc/76/77/19/555767719.db2.gz	UPAYKNSYARTBPB-NRFANRHFSA-N	1	0	452.507	2.936	50	30		JFEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147857	556124125	/nfs/dbraw/zinc/12/41/25/556124125.db2.gz	PMMMNBKBSALCAN-MHZLTWQESA-N	1	0	475.545	2.912	50	30		JFEARO
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)C[C@@H]1OC	ZINC000016750516	556157199	/nfs/dbraw/zinc/15/71/99/556157199.db2.gz	NGYYJZPVJRGOGG-VSUDMRMVSA-N	1	0	468.550	2.653	50	30		JFEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000018190418	556300818	/nfs/dbraw/zinc/30/08/18/556300818.db2.gz	MPXOCEKXZSAXJZ-NRFANRHFSA-N	1	0	469.538	2.957	50	30		JFEARO
Cc1ccccc1NC(=O)CSc1nnc(-c2cc[n+](CC(=O)Nc3ccccc3C)cc2)n1N	ZINC000027752393	556305620	/nfs/dbraw/zinc/30/56/20/556305620.db2.gz	MCELQYDETBBTJZ-UHFFFAOYSA-O	1	0	488.597	2.933	50	30		JFEARO
Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1	ZINC000067342060	569688435	/nfs/dbraw/zinc/68/84/35/569688435.db2.gz	SFCWJLRLGQCKAM-FCHUYYIVSA-N	1	0	486.663	2.736	50	30		JFEARO
N#Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)cc1	ZINC000035422101	569692582	/nfs/dbraw/zinc/69/25/82/569692582.db2.gz	VSLDMPWTUUHKBM-UHFFFAOYSA-N	1	0	455.356	2.785	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c1C	ZINC000103965378	569839619	/nfs/dbraw/zinc/83/96/19/569839619.db2.gz	NFLQSSIXHZMOIV-HFEWCJDKSA-N	1	0	499.564	2.809	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248037518	570073288	/nfs/dbraw/zinc/07/32/88/570073288.db2.gz	SWTAJAFUZPRWQC-RBBKRZOGSA-N	1	0	456.608	2.894	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102508094	130162623	/nfs/dbraw/zinc/16/26/23/130162623.db2.gz	AFPKBMRDGYCEBS-OBVHCKHUSA-N	1	0	478.549	2.952	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102521394	130173930	/nfs/dbraw/zinc/17/39/30/130173930.db2.gz	HLRPYPDUDDLGMZ-ASBZNUFUSA-N	1	0	484.509	2.700	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102532519	130186347	/nfs/dbraw/zinc/18/63/47/130186347.db2.gz	KYWNVPCLANSZDX-MOBKVPTQSA-N	1	0	452.507	2.840	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1	ZINC000102538590	130193674	/nfs/dbraw/zinc/19/36/74/130193674.db2.gz	QNROZQWKVWBMPE-QOJBNDRUSA-N	1	0	454.527	2.577	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102541146	130196972	/nfs/dbraw/zinc/19/69/72/130196972.db2.gz	AWWBPJQEQFUSOF-OBVHCKHUSA-N	1	0	464.522	2.643	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102741240	130285474	/nfs/dbraw/zinc/28/54/74/130285474.db2.gz	JQOVCKXQUMWJBE-YDJIHCHBSA-N	1	0	456.470	2.604	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102746361	130287340	/nfs/dbraw/zinc/28/73/40/130287340.db2.gz	RCQDMNBXOZPZCU-JBCNATCCSA-N	1	0	458.486	2.835	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1C	ZINC000102859133	130329451	/nfs/dbraw/zinc/32/94/51/130329451.db2.gz	NHSALAGZYPZRDI-ASBZNUFUSA-N	1	0	457.502	2.931	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000102876806	130349408	/nfs/dbraw/zinc/34/94/08/130349408.db2.gz	ZAKPTFAAIZAVSN-OBVHCKHUSA-N	1	0	469.538	2.800	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000102896438	130378824	/nfs/dbraw/zinc/37/88/24/130378824.db2.gz	RWYZCLZZTCFHLS-MOBKVPTQSA-N	1	0	452.507	2.927	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C1CCCCC1	ZINC000036207249	518312045	/nfs/dbraw/zinc/31/20/45/518312045.db2.gz	CHJKPLYMMUQTCR-QGZVFWFLSA-N	1	0	461.584	2.615	50	30		JFEARO
C=CCn1c2ccccc2n(CC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)c(=O)c1=O	ZINC000033268743	519264760	/nfs/dbraw/zinc/26/47/60/519264760.db2.gz	QAYKLSPJPKIYEV-UHFFFAOYSA-N	1	0	460.578	2.686	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c1C	ZINC000004039239	521361059	/nfs/dbraw/zinc/36/10/59/521361059.db2.gz	UEOCAYKAVXNGBB-FQEVSTJZSA-N	1	0	454.527	2.733	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009349789	522164669	/nfs/dbraw/zinc/16/46/69/522164669.db2.gz	JIBHJOMOJZPCPA-IVZQSRNASA-N	1	0	464.518	2.937	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000009241412	522918269	/nfs/dbraw/zinc/91/82/69/522918269.db2.gz	SZDKIYQSQUKPMN-GOSISDBHSA-N	1	0	475.567	2.926	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+]2CCCC2)cc2c1OCO2	ZINC000085413535	522918751	/nfs/dbraw/zinc/91/87/51/522918751.db2.gz	MMLOHFQJHJPPCS-JOCHJYFZSA-N	1	0	494.500	2.827	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000009241410	522957017	/nfs/dbraw/zinc/95/70/17/522957017.db2.gz	SZDKIYQSQUKPMN-SFHVURJKSA-N	1	0	475.567	2.926	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009339980	523373474	/nfs/dbraw/zinc/37/34/74/523373474.db2.gz	BLKJMXXWCUHUDW-NHFXJNLRSA-N	1	0	455.467	2.595	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000016730907	523557904	/nfs/dbraw/zinc/55/79/04/523557904.db2.gz	DAYUULMYUUUQKQ-HXUWFJFHSA-N	1	0	455.467	2.752	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008837424	524021101	/nfs/dbraw/zinc/02/11/01/524021101.db2.gz	GEFXQMVDRXDQJW-HXUWFJFHSA-N	1	0	484.509	2.856	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009008566	524021220	/nfs/dbraw/zinc/02/12/20/524021220.db2.gz	WIPYLHDPVPAQDQ-HXUWFJFHSA-N	1	0	484.509	2.856	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000012759046	524171316	/nfs/dbraw/zinc/17/13/16/524171316.db2.gz	XNHVWCQEUBHTRR-QFIPXVFZSA-N	1	0	452.507	2.996	50	30		JFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024192885	526020769	/nfs/dbraw/zinc/02/07/69/526020769.db2.gz	PBLNAHDFUJBWRY-VWLOTQADSA-N	1	0	451.498	2.795	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccccc3F)ccc21	ZINC000102748846	535832552	/nfs/dbraw/zinc/83/25/52/535832552.db2.gz	GVVWXOCFEJTVHC-NHFXJNLRSA-N	1	0	453.470	2.644	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000102707351	536885057	/nfs/dbraw/zinc/88/50/57/536885057.db2.gz	JVKBZKZTGHIJDY-NHFXJNLRSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000013721789	555597497	/nfs/dbraw/zinc/59/74/97/555597497.db2.gz	KIBMCTBXBOWASS-NRFANRHFSA-N	1	0	456.543	2.584	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013727788	555601521	/nfs/dbraw/zinc/60/15/21/555601521.db2.gz	CPOAYTIXCVUITB-OAQYLSRUSA-N	1	0	454.527	2.641	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013727785	555601637	/nfs/dbraw/zinc/60/16/37/555601637.db2.gz	CPOAYTIXCVUITB-NRFANRHFSA-N	1	0	454.527	2.641	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000013735146	555605821	/nfs/dbraw/zinc/60/58/21/555605821.db2.gz	YQBYEAYHQSKTSR-FQEVSTJZSA-N	1	0	456.470	2.761	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000020219249	555713466	/nfs/dbraw/zinc/71/34/66/555713466.db2.gz	AHJVAVZOSVJQFD-NRFANRHFSA-N	1	0	468.506	2.615	50	30		JFEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219521	555714800	/nfs/dbraw/zinc/71/48/00/555714800.db2.gz	KRUOMURMDFXXER-QFIPXVFZSA-N	1	0	452.507	2.996	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3O)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020309887	555767598	/nfs/dbraw/zinc/76/75/98/555767598.db2.gz	UPAYKNSYARTBPB-OAQYLSRUSA-N	1	0	452.507	2.936	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024192905	556125722	/nfs/dbraw/zinc/12/57/22/556125722.db2.gz	IJXWEBCOHARXLO-SANMLTNESA-N	1	0	463.509	2.961	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193194	556126372	/nfs/dbraw/zinc/12/63/72/556126372.db2.gz	FWNRLNJWCCOKJC-OQRWROFFSA-N	1	0	475.545	2.671	50	30		JFEARO
CC[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000029911045	556360415	/nfs/dbraw/zinc/36/04/15/556360415.db2.gz	KGVJXZISAWJFKT-XMMPIXPASA-N	1	0	480.634	2.912	50	30		JFEARO
C=CC[NH+](CC=C)C[C@@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1	ZINC000008686725	562952996	/nfs/dbraw/zinc/95/29/96/562952996.db2.gz	IYBKQDVMFOSCSE-LJQANCHMSA-N	1	0	461.540	2.834	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102860592	569824832	/nfs/dbraw/zinc/82/48/32/569824832.db2.gz	ZLKQTTMEYPEILV-PGVNHDJNSA-N	1	0	497.548	2.578	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1C	ZINC000102929043	569827589	/nfs/dbraw/zinc/82/75/89/569827589.db2.gz	UCYTZBNBFYSEER-ASBZNUFUSA-N	1	0	457.502	2.931	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102932498	569828775	/nfs/dbraw/zinc/82/87/75/569828775.db2.gz	WWYSYSWFTOIJNM-QOJBNDRUSA-N	1	0	457.502	2.931	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000103596099	569836506	/nfs/dbraw/zinc/83/65/06/569836506.db2.gz	ZAXYJMUGFDYMOA-OBVHCKHUSA-N	1	0	469.538	2.800	50	30		JFEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1cccnc1)CN(C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000226818343	570038609	/nfs/dbraw/zinc/03/86/09/570038609.db2.gz	RNJTWPAZJXFPGF-DQMJNTIXSA-N	1	0	480.615	2.776	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c1C	ZINC000102488765	130142611	/nfs/dbraw/zinc/14/26/11/130142611.db2.gz	ZAOULCNWPJILSJ-ASBZNUFUSA-N	1	0	454.527	2.577	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102502010	130155951	/nfs/dbraw/zinc/15/59/51/130155951.db2.gz	DGTNMSNVDNLVDS-QOJBNDRUSA-N	1	0	484.509	2.700	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102502302	130156195	/nfs/dbraw/zinc/15/61/95/130156195.db2.gz	UWVGNFYCDIEPQY-ASBZNUFUSA-N	1	0	463.494	2.843	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102502310	130156396	/nfs/dbraw/zinc/15/63/96/130156396.db2.gz	UWVGNFYCDIEPQY-QOJBNDRUSA-N	1	0	463.494	2.843	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102505802	130160053	/nfs/dbraw/zinc/16/00/53/130160053.db2.gz	JGOLXXNHDBVHEL-ASBZNUFUSA-N	1	0	484.509	2.700	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102522918	130175228	/nfs/dbraw/zinc/17/52/28/130175228.db2.gz	BAXHHMSTJYIGPG-ZHHPLPSFSA-N	1	0	482.533	2.848	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c1C	ZINC000102543535	130199858	/nfs/dbraw/zinc/19/98/58/130199858.db2.gz	DIHWUFHWFQKZKZ-QOJBNDRUSA-N	1	0	457.502	2.931	50	30		JFEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102576580	130215477	/nfs/dbraw/zinc/21/54/77/130215477.db2.gz	XUFQRJXAHGUNKV-HOGKFDNTSA-N	1	0	452.507	2.840	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102714248	130260347	/nfs/dbraw/zinc/26/03/47/130260347.db2.gz	KTBQDHACYUVVFP-MOBKVPTQSA-N	1	0	480.517	2.618	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102748737	130289090	/nfs/dbraw/zinc/28/90/90/130289090.db2.gz	NGISWSCUEBKTQR-JBCNATCCSA-N	1	0	458.486	2.835	50	30		JFEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102864281	130335882	/nfs/dbraw/zinc/33/58/82/130335882.db2.gz	UIHDCDHSZNDZJT-OBVHCKHUSA-N	1	0	463.494	2.924	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036309342	518307130	/nfs/dbraw/zinc/30/71/30/518307130.db2.gz	HJQCCYCREDXKRN-IRLDBZIGSA-N	1	0	486.634	2.984	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036309089	518308039	/nfs/dbraw/zinc/30/80/39/518308039.db2.gz	GECHBLIUADRXSI-QPPBQGQZSA-N	1	0	468.619	2.976	50	30		JFEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000022809849	519043944	/nfs/dbraw/zinc/04/39/44/519043944.db2.gz	CEEMCFAATZFGNA-XMMPIXPASA-N	1	0	477.561	2.744	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000009270993	521360196	/nfs/dbraw/zinc/36/01/96/521360196.db2.gz	AMVFWWPJKKJWGJ-NRFANRHFSA-N	1	0	469.538	2.957	50	30		JFEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000015953344	521731231	/nfs/dbraw/zinc/73/12/31/521731231.db2.gz	NNPJEQRLIJYZJH-AREMUKBSSA-N	1	0	463.534	2.746	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH2+]CCO)ccc1O	ZINC000015080873	522918816	/nfs/dbraw/zinc/91/88/16/522918816.db2.gz	IEWUJBWRUURQCG-HXUWFJFHSA-N	1	0	460.914	2.605	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009275302	523370290	/nfs/dbraw/zinc/37/02/90/523370290.db2.gz	PQKMEKDVCMUOKG-MRJHHRETSA-N	1	0	469.494	2.985	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000009177600	524021325	/nfs/dbraw/zinc/02/13/25/524021325.db2.gz	LLWAGVNWCBPDGA-NRFANRHFSA-N	1	0	497.548	2.735	50	30		JFEARO
Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(C#CC(C)(C)O)cc4)CC3)O2)n(C)n1	ZINC000011787687	524088540	/nfs/dbraw/zinc/08/85/40/524088540.db2.gz	IPYGKWFPXLCAHG-QHCPKHFHSA-N	1	0	464.610	2.795	50	30		JFEARO
Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(C#CC(C)(C)O)cc4)CC3)O2)n(C)n1	ZINC000011787688	524096776	/nfs/dbraw/zinc/09/67/76/524096776.db2.gz	IPYGKWFPXLCAHG-HSZRJFAPSA-N	1	0	464.610	2.795	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(F)cc3)ccc21	ZINC000102746763	535833531	/nfs/dbraw/zinc/83/35/31/535833531.db2.gz	YIDMGHBQMPANFE-NHFXJNLRSA-N	1	0	453.470	2.644	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(F)cc3)ccc21	ZINC000102746767	535833819	/nfs/dbraw/zinc/83/38/19/535833819.db2.gz	YIDMGHBQMPANFE-YDJIHCHBSA-N	1	0	453.470	2.644	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102700326	536884906	/nfs/dbraw/zinc/88/49/06/536884906.db2.gz	OVFBBZKQTCQSDH-NHFXJNLRSA-N	1	0	458.511	2.987	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000008837080	554737626	/nfs/dbraw/zinc/73/76/26/554737626.db2.gz	HSQKAURRTADZFQ-OAQYLSRUSA-N	1	0	469.538	2.957	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000008837982	554739321	/nfs/dbraw/zinc/73/93/21/554739321.db2.gz	FOHRWMABDPFMRN-FQEVSTJZSA-N	1	0	455.511	2.567	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008987958	554850427	/nfs/dbraw/zinc/85/04/27/554850427.db2.gz	APEMUQOQONXZRT-FQEVSTJZSA-N	1	0	484.509	2.856	50	30		JFEARO
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1	ZINC000009494811	555279055	/nfs/dbraw/zinc/27/90/55/555279055.db2.gz	SOXNRTXAFXXNTL-RUZDIDTESA-N	1	0	496.633	2.921	50	30		JFEARO
CCCCn1cc[n+](C2=C(NS(=O)(=O)c3ccc(NC(C)=O)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000013563551	555498704	/nfs/dbraw/zinc/49/87/04/555498704.db2.gz	RDOSSBJAGFBFMH-UHFFFAOYSA-O	1	0	493.565	2.760	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1	ZINC000019883248	555527762	/nfs/dbraw/zinc/52/77/62/555527762.db2.gz	WWPNMJNLKYLLIT-NRFANRHFSA-N	1	0	489.569	2.606	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(F)cc3)ccc21	ZINC000013685508	555578903	/nfs/dbraw/zinc/57/89/03/555578903.db2.gz	MDUXRWQNOFAZNQ-HXUWFJFHSA-N	1	0	453.470	2.801	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000013732407	555604447	/nfs/dbraw/zinc/60/44/47/555604447.db2.gz	ZQYDFRKTESAUFX-NRFANRHFSA-N	1	0	458.486	2.991	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccccc3F)ccc21	ZINC000013733163	555604872	/nfs/dbraw/zinc/60/48/72/555604872.db2.gz	GRZUBAYSLKUXCX-HXUWFJFHSA-N	1	0	453.470	2.801	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020057684	555620637	/nfs/dbraw/zinc/62/06/37/555620637.db2.gz	DBBYEZDBQVNJPP-NRFANRHFSA-N	1	0	470.522	2.861	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000020231839	555721738	/nfs/dbraw/zinc/72/17/38/555721738.db2.gz	WJXCQBCTLXXPLS-JOCHJYFZSA-N	1	0	498.532	2.624	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000012576644	556075939	/nfs/dbraw/zinc/07/59/39/556075939.db2.gz	RQKORJZYZFHFMV-HXUWFJFHSA-N	1	0	458.486	2.991	50	30		JFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000012757905	556108496	/nfs/dbraw/zinc/10/84/96/556108496.db2.gz	JRKOSYSTZIJHAG-OAQYLSRUSA-N	1	0	470.522	2.861	50	30		JFEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147861	556124119	/nfs/dbraw/zinc/12/41/19/556124119.db2.gz	PMMMNBKBSALCAN-HHHXNRCGSA-N	1	0	475.545	2.912	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024192904	556125773	/nfs/dbraw/zinc/12/57/73/556125773.db2.gz	LYUQAXBKQUETBN-VWLOTQADSA-N	1	0	451.498	2.795	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024193196	556126383	/nfs/dbraw/zinc/12/63/83/556126383.db2.gz	FWNRLNJWCCOKJC-JWIGPWBQSA-N	1	0	475.545	2.671	50	30		JFEARO
N#Cc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000057270702	569595329	/nfs/dbraw/zinc/59/53/29/569595329.db2.gz	MVJYYNUXALRGDD-UHFFFAOYSA-N	1	0	489.601	2.797	50	30		JFEARO
NC(=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000062587397	569612005	/nfs/dbraw/zinc/61/20/05/569612005.db2.gz	UJMSXYIUSGWEMY-UHFFFAOYSA-N	1	0	499.637	2.733	50	30		JFEARO
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1	ZINC000034677796	569642135	/nfs/dbraw/zinc/64/21/35/569642135.db2.gz	WZHYOKGNCYTJEV-HSZRJFAPSA-N	1	0	481.641	2.644	50	30		JFEARO
Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1	ZINC000067342051	569688429	/nfs/dbraw/zinc/68/84/29/569688429.db2.gz	SFCWJLRLGQCKAM-VXKWHMMOSA-N	1	0	486.663	2.736	50	30		JFEARO
O=C(C1=C(O)C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	ZINC000096335853	569740320	/nfs/dbraw/zinc/74/03/20/569740320.db2.gz	YYOSZJYQYHKGEW-HSZRJFAPSA-N	1	0	478.501	2.861	50	30		JFEARO
O=C(C1=C(O)C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	ZINC000096335854	569740337	/nfs/dbraw/zinc/74/03/37/569740337.db2.gz	YYOSZJYQYHKGEW-QHCPKHFHSA-N	1	0	478.501	2.861	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102874764	569826353	/nfs/dbraw/zinc/82/63/53/569826353.db2.gz	DNGDUBDUKYGGQC-IAMBOQNYSA-N	1	0	476.533	2.803	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1	ZINC000105002626	569849163	/nfs/dbraw/zinc/84/91/63/569849163.db2.gz	HQVAZNYXVKROPA-YKSBVNFPSA-N	1	0	484.618	2.737	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000245279537	570061594	/nfs/dbraw/zinc/06/15/94/570061594.db2.gz	HJQCCYCREDXKRN-IFMALSPDSA-N	1	0	486.634	2.984	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000245325675	570064558	/nfs/dbraw/zinc/06/45/58/570064558.db2.gz	BXZMNULLCJETOR-ZJSXRUAMSA-N	1	0	486.634	2.602	50	30		JFEARO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327994	570065491	/nfs/dbraw/zinc/06/54/91/570065491.db2.gz	MJDJVXCBSMMMBU-FCHUYYIVSA-N	1	0	457.571	2.723	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000253377529	570095237	/nfs/dbraw/zinc/09/52/37/570095237.db2.gz	XJHKJEXWAYXENS-WOJBJXKFSA-N	1	0	475.561	2.862	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1	ZINC000102530477	130184138	/nfs/dbraw/zinc/18/41/38/130184138.db2.gz	HLJPAGOWTOTPRA-ZHHPLPSFSA-N	1	0	482.533	2.848	50	30		JFEARO
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102576587	130215527	/nfs/dbraw/zinc/21/55/27/130215527.db2.gz	XUFQRJXAHGUNKV-MOBKVPTQSA-N	1	0	452.507	2.840	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000012489636	519778557	/nfs/dbraw/zinc/77/85/57/519778557.db2.gz	GTRRTIAJIVRLQS-QHCPKHFHSA-N	1	0	494.548	2.866	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009235167	521360095	/nfs/dbraw/zinc/36/00/95/521360095.db2.gz	RFKKYFDYZBTEKG-QFIPXVFZSA-N	1	0	499.564	2.965	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009271468	521361280	/nfs/dbraw/zinc/36/12/80/521361280.db2.gz	XPIMJSXZQPAZBZ-FQEVSTJZSA-N	1	0	484.509	2.856	50	30		JFEARO
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020547315	521754794	/nfs/dbraw/zinc/75/47/94/521754794.db2.gz	RVPPQVXFCBSTSL-JOCHJYFZSA-N	1	0	451.523	2.664	50	30		JFEARO
COc1ccc(CC[NH2+]C[C@@H](O)Cn2c3ccccc3n3c2c(C#N)c(C)cc3=O)cc1OC	ZINC000002877941	523973532	/nfs/dbraw/zinc/97/35/32/523973532.db2.gz	UKODZCPBLGXUJN-LJQANCHMSA-N	1	0	460.534	2.645	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000004039871	524021587	/nfs/dbraw/zinc/02/15/87/524021587.db2.gz	UBUINVOZDRIFFQ-FQEVSTJZSA-N	1	0	455.511	2.567	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000009373713	525212629	/nfs/dbraw/zinc/21/26/29/525212629.db2.gz	JGGDEBLOWSSJBJ-ZHHPLPSFSA-N	1	0	482.533	2.848	50	30		JFEARO
O=C1c2ccccc2C(=O)C([n+]2ccccc2)=C1NS(=O)(=O)c1ccc(Br)cc1	ZINC000002304930	527129037	/nfs/dbraw/zinc/12/90/37/527129037.db2.gz	XGUFRJMRQYYPAG-UHFFFAOYSA-O	1	0	470.324	2.963	50	30		JFEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102879884	535417271	/nfs/dbraw/zinc/41/72/71/535417271.db2.gz	WNDNJOWESGSPTI-OBVHCKHUSA-N	1	0	469.538	2.800	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000008738428	554640181	/nfs/dbraw/zinc/64/01/81/554640181.db2.gz	JVKBZKZTGHIJDY-YDJIHCHBSA-N	1	0	458.486	2.835	50	30		JFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008743408	554646194	/nfs/dbraw/zinc/64/61/94/554646194.db2.gz	FZYVKSADJBXFPL-MRJHHRETSA-N	1	0	470.522	2.704	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000013693453	555588317	/nfs/dbraw/zinc/58/83/17/555588317.db2.gz	VNOCHWICZQCHCQ-FQEVSTJZSA-N	1	0	456.470	2.761	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1	ZINC000020024594	555602587	/nfs/dbraw/zinc/60/25/87/555602587.db2.gz	JRIWBNVLGHYEDT-IBGZPJMESA-N	1	0	477.608	2.528	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000013730166	555603087	/nfs/dbraw/zinc/60/30/87/555603087.db2.gz	PPKHCGDDNLXMFG-OAQYLSRUSA-N	1	0	458.486	2.991	50	30		JFEARO
CC[NH+]1CCN(CCCNC(=O)c2ccc3nc(CC(=O)c4cccc(OC)c4)c(=O)[nH]c3c2)CC1	ZINC000020156556	555676200	/nfs/dbraw/zinc/67/62/00/555676200.db2.gz	GTHCSWVPGSRFQW-MOHJPFBDSA-N	1	0	491.592	2.583	50	30		JFEARO
CC[NH+]1CCN(CCCNC(=O)c2ccc3nc(CC(=O)c4ccc(OC)cc4)c(=O)[nH]c3c2)CC1	ZINC000020156550	555676298	/nfs/dbraw/zinc/67/62/98/555676298.db2.gz	IPHOCNIZZVFBNF-MOHJPFBDSA-N	1	0	491.592	2.583	50	30		JFEARO
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000020219334	555713658	/nfs/dbraw/zinc/71/36/58/555713658.db2.gz	ZVDRATKXERBKKE-QFIPXVFZSA-N	1	0	452.507	2.996	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219331	555713706	/nfs/dbraw/zinc/71/37/06/555713706.db2.gz	WWKOLJKWMOYKGY-JOCHJYFZSA-N	1	0	452.507	2.996	50	30		JFEARO
COc1cc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000020219575	555715264	/nfs/dbraw/zinc/71/52/64/555715264.db2.gz	URBQFHVHPVYTQJ-HXUWFJFHSA-N	1	0	455.511	2.637	50	30		JFEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147430	556123649	/nfs/dbraw/zinc/12/36/49/556123649.db2.gz	RRKXRJMSJWDKKT-AREMUKBSSA-N	1	0	463.534	2.746	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024147483	556123751	/nfs/dbraw/zinc/12/37/51/556123751.db2.gz	LLPCACGPMKKBSX-MHZLTWQESA-N	1	0	475.545	2.912	50	30		JFEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024147366	556123778	/nfs/dbraw/zinc/12/37/78/556123778.db2.gz	BXRUYEBOSQTWJT-VWLOTQADSA-N	1	0	451.498	2.876	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147710	556124043	/nfs/dbraw/zinc/12/40/43/556124043.db2.gz	OSOXCMFJXLWVJX-MHZLTWQESA-N	1	0	475.545	2.912	50	30		JFEARO
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)cc1	ZINC000024190142	556125504	/nfs/dbraw/zinc/12/55/04/556125504.db2.gz	NESWVFQYRRASOI-UHFFFAOYSA-N	1	0	466.607	2.871	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1	ZINC000013127576	556343825	/nfs/dbraw/zinc/34/38/25/556343825.db2.gz	ADEZUDIQZPKPMG-HXUWFJFHSA-N	1	0	454.527	2.733	50	30		JFEARO
C=CC[NH+](CC=C)C[C@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1	ZINC000008686726	562952947	/nfs/dbraw/zinc/95/29/47/562952947.db2.gz	IYBKQDVMFOSCSE-IBGZPJMESA-N	1	0	461.540	2.834	50	30		JFEARO
Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1	ZINC000067342046	569688451	/nfs/dbraw/zinc/68/84/51/569688451.db2.gz	SFCWJLRLGQCKAM-YADHBBJMSA-N	1	0	486.663	2.736	50	30		JFEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000100607208	569765593	/nfs/dbraw/zinc/76/55/93/569765593.db2.gz	CXABBZNOMGYCPW-IAMBOQNYSA-N	1	0	481.549	2.966	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)cc1OC	ZINC000102862783	569825266	/nfs/dbraw/zinc/82/52/66/569825266.db2.gz	SOWOJKCLRXOKQG-ZHHPLPSFSA-N	1	0	484.524	2.987	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c1C	ZINC000103596092	569836551	/nfs/dbraw/zinc/83/65/51/569836551.db2.gz	ZAXYJMUGFDYMOA-PGVNHDJNSA-N	1	0	469.538	2.800	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000169620694	569868380	/nfs/dbraw/zinc/86/83/80/569868380.db2.gz	SCJDKZKCFMQTQE-MRESPNAKSA-N	1	0	461.587	2.941	50	30		JFEARO
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)C[C@@H]1OC	ZINC000170597653	569872704	/nfs/dbraw/zinc/87/27/04/569872704.db2.gz	NGYYJZPVJRGOGG-LDLFBNOTSA-N	1	0	468.550	2.653	50	30		JFEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)OCO3)C1	ZINC000252441446	570080612	/nfs/dbraw/zinc/08/06/12/570080612.db2.gz	WDCOVTZGGYQYCJ-MDRWGITRSA-N	1	0	469.470	2.904	50	30	biogenic	JFEARO
CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1	ZINC000009875187	195008080	/nfs/dbraw/zinc/00/80/80/195008080.db2.gz	PVZYECYZQRPYAT-UHFFFAOYSA-N	1	0	469.611	2.616	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102507745	130162030	/nfs/dbraw/zinc/16/20/30/130162030.db2.gz	YYCCGWCMPMXIMR-IAMBOQNYSA-N	1	0	478.549	2.952	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102714245	130260218	/nfs/dbraw/zinc/26/02/18/130260218.db2.gz	KTBQDHACYUVVFP-HOGKFDNTSA-N	1	0	480.517	2.618	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102740857	130285364	/nfs/dbraw/zinc/28/53/64/130285364.db2.gz	RGRCHGSHZCHSHS-YDJIHCHBSA-N	1	0	456.470	2.604	50	30		JFEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102879886	130355194	/nfs/dbraw/zinc/35/51/94/130355194.db2.gz	WNDNJOWESGSPTI-PGVNHDJNSA-N	1	0	469.538	2.800	50	30		JFEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1	ZINC000036309578	518296872	/nfs/dbraw/zinc/29/68/72/518296872.db2.gz	IYXQFIPECBRFKV-REWPJTCUSA-N	1	0	472.582	2.867	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036309090	518298398	/nfs/dbraw/zinc/29/83/98/518298398.db2.gz	GECHBLIUADRXSI-URXFXBBRSA-N	1	0	468.619	2.976	50	30		JFEARO
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000033033064	518768500	/nfs/dbraw/zinc/76/85/00/518768500.db2.gz	WIVSPBABFYJUQV-UHFFFAOYSA-N	1	0	497.621	2.670	50	30		JFEARO
C=CCn1cc[n+](C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000013785871	519282907	/nfs/dbraw/zinc/28/29/07/519282907.db2.gz	RTTYLJCIUVFHKV-UHFFFAOYSA-O	1	0	454.915	2.841	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccncc1	ZINC000009123740	520649026	/nfs/dbraw/zinc/64/90/26/520649026.db2.gz	ZYIXAQDJTCIYDT-ASBZNUFUSA-N	1	0	454.527	2.577	50	30		JFEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009353564	522162843	/nfs/dbraw/zinc/16/28/43/522162843.db2.gz	MXJDVHLIFQYGOR-OAQYLSRUSA-N	1	0	462.506	2.569	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009353558	522171097	/nfs/dbraw/zinc/17/10/97/522171097.db2.gz	MXJDVHLIFQYGOR-NRFANRHFSA-N	1	0	462.506	2.569	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009041280	522171401	/nfs/dbraw/zinc/17/14/01/522171401.db2.gz	QILCVWBSVWLCDM-QFIPXVFZSA-N	1	0	476.533	2.959	50	30		JFEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCCC3)[C@H]2c2ccccc2)cc1	ZINC000102436487	536103656	/nfs/dbraw/zinc/10/36/56/536103656.db2.gz	KRJFEQANKSQSTH-AYWGPLOBSA-N	1	0	497.617	2.845	50	30		JFEARO
C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S	ZINC000001260400	553937654	/nfs/dbraw/zinc/93/76/54/553937654.db2.gz	LWMVPORSDVYBRS-VKAVYKQESA-N	1	0	455.609	2.532	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837702	554738807	/nfs/dbraw/zinc/73/88/07/554738807.db2.gz	HHAZKUMTEMQZCW-FQEVSTJZSA-N	1	0	463.494	2.999	50	30		JFEARO
COc1ccccc1NC(=O)CSc1nc(N2CC[NH2+]CC2)c2c(c1C#N)CC(C)(C)OC2	ZINC000009476704	555257628	/nfs/dbraw/zinc/25/76/28/555257628.db2.gz	TUJRIBRVSBQKLH-UHFFFAOYSA-N	1	0	467.595	2.954	50	30		JFEARO
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861530	555520140	/nfs/dbraw/zinc/52/01/40/555520140.db2.gz	DDWDKADYHIYZIP-RKOGDMNLSA-N	1	0	475.545	2.671	50	30		JFEARO
CC1(C)Cc2c(C#N)c(SCC(=O)NCc3ccccc3)nc(N3CC[NH2+]CC3)c2CO1	ZINC000013681952	555575343	/nfs/dbraw/zinc/57/53/43/555575343.db2.gz	XGBNQCNCSQCWGQ-UHFFFAOYSA-N	1	0	451.596	2.623	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000013721792	555597576	/nfs/dbraw/zinc/59/75/76/555597576.db2.gz	KIBMCTBXBOWASS-OAQYLSRUSA-N	1	0	456.543	2.584	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000013722013	555597866	/nfs/dbraw/zinc/59/78/66/555597866.db2.gz	ZRQQRDKGUPCWFS-FQEVSTJZSA-N	1	0	456.543	2.584	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020193145	555694295	/nfs/dbraw/zinc/69/42/95/555694295.db2.gz	GNUDKHDVSPYYSX-QFIPXVFZSA-N	1	0	468.506	2.963	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000020193177	555694691	/nfs/dbraw/zinc/69/46/91/555694691.db2.gz	SKRVLZYXMOTLRB-FQEVSTJZSA-N	1	0	454.479	2.572	50	30		JFEARO
Cc1c(C#N)c(=O)n(C)c(N2CC[NH+](Cc3ccccc3)CC2)c1/C=C1\SC(=S)N(C)C1=O	ZINC000020227903	555718347	/nfs/dbraw/zinc/71/83/47/555718347.db2.gz	OUHIWQFDCHVTFT-MOSHPQCFSA-N	1	0	479.631	2.719	50	30		JFEARO
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000020231834	555721734	/nfs/dbraw/zinc/72/17/34/555721734.db2.gz	WJXCQBCTLXXPLS-QFIPXVFZSA-N	1	0	498.532	2.624	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020264831	555747361	/nfs/dbraw/zinc/74/73/61/555747361.db2.gz	XZTOMPGXTZHJIH-JOCHJYFZSA-N	1	0	470.522	2.861	50	30		JFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014536079	555825030	/nfs/dbraw/zinc/82/50/30/555825030.db2.gz	NSQVUHVCGCNBKH-HSZRJFAPSA-N	1	0	463.626	2.653	50	30		JFEARO
C=CC[NH+](CC=C)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C	ZINC000012527144	555995617	/nfs/dbraw/zinc/99/56/17/555995617.db2.gz	MJTIOCZRJXAXAD-OAQYLSRUSA-N	1	0	452.577	2.726	50	30		JFEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024334801	556129654	/nfs/dbraw/zinc/12/96/54/556129654.db2.gz	KURCVDKUUYQEFF-SANMLTNESA-N	1	0	463.534	2.664	50	30		JFEARO
CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[N@@H+]1CCc2ccccc2C1	ZINC000029911041	556360347	/nfs/dbraw/zinc/36/03/47/556360347.db2.gz	KGVJXZISAWJFKT-DEOSSOPVSA-N	1	0	480.634	2.912	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249732	569758008	/nfs/dbraw/zinc/75/80/08/569758008.db2.gz	JJAXHNJWDJVYCW-YADHBBJMSA-N	1	0	475.561	2.862	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)cc1OC	ZINC000102862778	569825256	/nfs/dbraw/zinc/82/52/56/569825256.db2.gz	SOWOJKCLRXOKQG-AYWGPLOBSA-N	1	0	484.524	2.987	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102929045	569827703	/nfs/dbraw/zinc/82/77/03/569827703.db2.gz	UCYTZBNBFYSEER-QOJBNDRUSA-N	1	0	457.502	2.931	50	30		JFEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1cccnc1)CN(C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000226818351	570038584	/nfs/dbraw/zinc/03/85/84/570038584.db2.gz	RNJTWPAZJXFPGF-NTUVXCKYSA-N	1	0	480.615	2.776	50	30		JFEARO
N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@H]3C1=O)CCCC2	ZINC000230067168	570044290	/nfs/dbraw/zinc/04/42/90/570044290.db2.gz	KYQUUXLZAPMMIF-LOJFUVEFSA-N	1	0	458.543	2.930	50	30		JFEARO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327996	570065557	/nfs/dbraw/zinc/06/55/57/570065557.db2.gz	MJDJVXCBSMMMBU-FGZHOGPDSA-N	1	0	457.571	2.723	50	30		JFEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102483155	130136344	/nfs/dbraw/zinc/13/63/44/130136344.db2.gz	JWIAIMNOLBKQRX-ASBZNUFUSA-N	1	0	463.494	2.843	50	30		JFEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102538390	130193113	/nfs/dbraw/zinc/19/31/13/130193113.db2.gz	XWPITKAJEKJQOI-PGVNHDJNSA-N	1	0	497.548	2.578	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102880865	130357424	/nfs/dbraw/zinc/35/74/24/130357424.db2.gz	LBXPEMMAPGZIPN-ASBZNUFUSA-N	1	0	484.509	2.700	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1	ZINC000036310037	518297771	/nfs/dbraw/zinc/29/77/71/518297771.db2.gz	URYNQVQNFWNTCV-GBXCKJPGSA-N	1	0	484.618	2.737	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155314	518299314	/nfs/dbraw/zinc/29/93/14/518299314.db2.gz	GXRDRCQCFVWSIK-NRFANRHFSA-N	1	0	481.549	2.818	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155317	518309919	/nfs/dbraw/zinc/30/99/19/518309919.db2.gz	GXRDRCQCFVWSIK-OAQYLSRUSA-N	1	0	481.549	2.818	50	30		JFEARO
C#CCn1c2cc(OC)ccc2cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)c1=O	ZINC000014952826	518342110	/nfs/dbraw/zinc/34/21/10/518342110.db2.gz	XDEJRFCQSVKNRA-NRFANRHFSA-N	1	0	465.594	2.883	50	30		JFEARO
C=CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O	ZINC000014976531	518945440	/nfs/dbraw/zinc/94/54/40/518945440.db2.gz	ZDAHZPRYSYTMMW-UHFFFAOYSA-N	1	0	462.594	2.903	50	30		JFEARO
C=CCOc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1	ZINC000011814653	519070332	/nfs/dbraw/zinc/07/03/32/519070332.db2.gz	KITUGHTXUHMPOA-UHFFFAOYSA-N	1	0	451.527	2.571	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000012489629	519778553	/nfs/dbraw/zinc/77/85/53/519778553.db2.gz	GTRRTIAJIVRLQS-HSZRJFAPSA-N	1	0	494.548	2.866	50	30		JFEARO
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020546561	521424780	/nfs/dbraw/zinc/42/47/80/521424780.db2.gz	DIFYXSXLUXEWAH-QFIPXVFZSA-N	1	0	452.507	2.996	50	30		JFEARO
CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000009579790	521700805	/nfs/dbraw/zinc/70/08/05/521700805.db2.gz	AKYYOUDPKZNYCA-HXUWFJFHSA-N	1	0	488.592	2.755	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009339979	523375802	/nfs/dbraw/zinc/37/58/02/523375802.db2.gz	BLKJMXXWCUHUDW-YDJIHCHBSA-N	1	0	455.467	2.595	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009072749	524021241	/nfs/dbraw/zinc/02/12/41/524021241.db2.gz	WIPYLHDPVPAQDQ-FQEVSTJZSA-N	1	0	484.509	2.856	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009301900	524021443	/nfs/dbraw/zinc/02/14/43/524021443.db2.gz	GLALVWCPLSZQOS-JOCHJYFZSA-N	1	0	499.564	2.965	50	30		JFEARO
COc1ccccc1/C=N/OCc1nc2c3c(C)c(C)n(CCC[NH+]4CCOCC4)c3ncn2n1	ZINC000020589383	524325797	/nfs/dbraw/zinc/32/57/97/524325797.db2.gz	APHWWJARINADFN-JFLMPSFJSA-N	1	0	477.569	2.977	50	30		JFEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102368846	534968812	/nfs/dbraw/zinc/96/88/12/534968812.db2.gz	HJIKVZBSCRXZAB-ZHHPLPSFSA-N	1	0	494.548	2.709	50	30		JFEARO
CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102894241	535832824	/nfs/dbraw/zinc/83/28/24/535832824.db2.gz	BAQQYSCXIVPTNJ-AYWGPLOBSA-N	1	0	465.550	2.897	50	30		JFEARO
COc1ccc(CC[NH2+]C[C@H](O)Cn2c3ccccc3n3c2c(C#N)c(C)cc3=O)cc1OC	ZINC000002877942	554399969	/nfs/dbraw/zinc/39/99/69/554399969.db2.gz	UKODZCPBLGXUJN-IBGZPJMESA-N	1	0	460.534	2.645	50	30		JFEARO
NC(=O)c1ccc[n+](CC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1	ZINC000003666115	554469882	/nfs/dbraw/zinc/46/98/82/554469882.db2.gz	OZEHMJXMKJLSJD-UHFFFAOYSA-O	1	0	467.093	2.587	50	30		JFEARO
CC(=O)N(c1ccc(Br)cc1)C1=C(N2CC[NH2+]CC2)C(=O)c2ccccc2C1=O	ZINC000004030581	554472584	/nfs/dbraw/zinc/47/25/84/554472584.db2.gz	BZAUQARBKMIYSI-UHFFFAOYSA-N	1	0	454.324	2.998	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000008921198	554817862	/nfs/dbraw/zinc/81/78/62/554817862.db2.gz	LSPAAODKSYWWBT-NRFANRHFSA-N	1	0	476.533	2.878	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000013551848	555492241	/nfs/dbraw/zinc/49/22/41/555492241.db2.gz	DBBYEZDBQVNJPP-OAQYLSRUSA-N	1	0	470.522	2.861	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013552197	555492515	/nfs/dbraw/zinc/49/25/15/555492515.db2.gz	SKJSCNIWESQMTR-NRFANRHFSA-N	1	0	467.478	2.896	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000013682857	555576210	/nfs/dbraw/zinc/57/62/10/555576210.db2.gz	QCTJWAVMIKVEDY-OAQYLSRUSA-N	1	0	458.486	2.991	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(F)c3)ccc21	ZINC000013682942	555576485	/nfs/dbraw/zinc/57/64/85/555576485.db2.gz	LBOSKJFELWQDRL-HXUWFJFHSA-N	1	0	453.470	2.801	50	30		JFEARO
COc1cccc(NC(=O)CSc2nc(N3CC[NH2+]CC3)c3c(c2C#N)CC(C)(C)OC3)c1	ZINC000013684704	555578555	/nfs/dbraw/zinc/57/85/55/555578555.db2.gz	HRMAOZZKMCFVQX-UHFFFAOYSA-N	1	0	467.595	2.954	50	30		JFEARO
COc1cccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000013688475	555581605	/nfs/dbraw/zinc/58/16/05/555581605.db2.gz	LKIPUAWKDNRRFT-FQEVSTJZSA-N	1	0	454.527	2.641	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000013722408	555597760	/nfs/dbraw/zinc/59/77/60/555597760.db2.gz	PHINJTFRYPMKRX-NRFANRHFSA-N	1	0	454.527	2.641	50	30		JFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000020219250	555713748	/nfs/dbraw/zinc/71/37/48/555713748.db2.gz	AHJVAVZOSVJQFD-OAQYLSRUSA-N	1	0	468.506	2.615	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000020229893	555720711	/nfs/dbraw/zinc/72/07/11/555720711.db2.gz	JCDFMNNJDVWPJL-HXUWFJFHSA-N	1	0	455.467	2.752	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020264828	555747311	/nfs/dbraw/zinc/74/73/11/555747311.db2.gz	XZTOMPGXTZHJIH-QFIPXVFZSA-N	1	0	470.522	2.861	50	30		JFEARO
C[NH+](C)CCNc1oc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1C#N	ZINC000015838497	556021986	/nfs/dbraw/zinc/02/19/86/556021986.db2.gz	VSUSQDGKGDLWBA-UHFFFAOYSA-N	1	0	451.552	2.934	50	30		JFEARO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C	ZINC000032810027	556500069	/nfs/dbraw/zinc/50/00/69/556500069.db2.gz	WDSNIRDWJDBVJA-QFIPXVFZSA-N	1	0	475.659	2.571	50	30		JFEARO
C=CCC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036249783	569758125	/nfs/dbraw/zinc/75/81/25/569758125.db2.gz	NUGILHWJYANDSU-HSZRJFAPSA-N	1	0	470.614	2.640	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102874760	569826093	/nfs/dbraw/zinc/82/60/93/569826093.db2.gz	DNGDUBDUKYGGQC-HFEWCJDKSA-N	1	0	476.533	2.803	50	30		JFEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102931964	569828558	/nfs/dbraw/zinc/82/85/58/569828558.db2.gz	JSTZPXNEODWWLO-HFEWCJDKSA-N	1	0	464.522	2.643	50	30		JFEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102933240	569829036	/nfs/dbraw/zinc/82/90/36/569829036.db2.gz	ZBSQKVQJHVZHKM-HFEWCJDKSA-N	1	0	478.549	2.952	50	30		JFEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000103129983	569833131	/nfs/dbraw/zinc/83/31/31/569833131.db2.gz	SCJDKZKCFMQTQE-XTOGBABISA-N	1	0	461.587	2.941	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1	ZINC000230110856	570045046	/nfs/dbraw/zinc/04/50/46/570045046.db2.gz	HQVAZNYXVKROPA-HYBUGGRVSA-N	1	0	484.618	2.737	50	30		JFEARO
COc1c2c(cc3c1[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@+](C)(CC(N)=O)CC3)OCO2	ZINC000247691963	570068792	/nfs/dbraw/zinc/06/87/92/570068792.db2.gz	WPYCUHCFLWDFDL-NJHZRGNWSA-O	1	0	488.564	2.859	50	30	biogenic	JFEARO
C=CCNC(=O)CN1CCN(Cc2csc(=Nc3cccc(Cl)c3)n2CCCOC)CC1	ZINC000254556027	570105983	/nfs/dbraw/zinc/10/59/83/570105983.db2.gz	XNHBVTVSVKQMPW-UHFFFAOYSA-N	1	0	478.062	2.892	50	30		JFEARO
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)c1	ZINC000009950857	195033430	/nfs/dbraw/zinc/03/34/30/195033430.db2.gz	YBTJPYLMIGUPRM-VWLOTQADSA-N	1	0	496.633	2.921	50	30		JFEARO
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[NH+]2CCCC2)cc1	ZINC000009950761	195033556	/nfs/dbraw/zinc/03/35/56/195033556.db2.gz	FYUPNXDMUKMXKU-XMMPIXPASA-N	1	0	496.633	2.921	50	30		JFEARO
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)CC1	ZINC000012906136	195179798	/nfs/dbraw/zinc/17/97/98/195179798.db2.gz	QIARUXOBOVCCER-XMMPIXPASA-N	1	0	480.615	2.832	50	30		JFEARO
CCCC[N@H+](CC)CCNC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1	ZINC000021354646	195297261	/nfs/dbraw/zinc/29/72/61/195297261.db2.gz	QDTKXQLPBVHNAN-UHFFFAOYSA-N	1	0	451.571	2.827	50	30		JFEARO
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1	ZINC000058159328	195368299	/nfs/dbraw/zinc/36/82/99/195368299.db2.gz	OFDWBDGWKYKWGM-UHFFFAOYSA-N	1	0	467.570	2.984	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102498044	130152155	/nfs/dbraw/zinc/15/21/55/130152155.db2.gz	JICCUHHCWUPRJQ-MRJHHRETSA-N	1	0	452.507	2.855	50	30		JFEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102531155	130184470	/nfs/dbraw/zinc/18/44/70/130184470.db2.gz	CEIOSESUMYVOJI-GHNGSUTGSA-N	1	0	457.552	2.920	50	30		JFEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)c(C)n1	ZINC000102749086	130289072	/nfs/dbraw/zinc/28/90/72/130289072.db2.gz	GWYMJQCHYVAREB-SELCWUDQSA-N	1	0	459.344	2.839	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309968	518297312	/nfs/dbraw/zinc/29/73/12/518297312.db2.gz	SWTAJAFUZPRWQC-UNMCSNQZSA-N	1	0	456.608	2.894	50	30		JFEARO
C#CCOC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309040	518308287	/nfs/dbraw/zinc/30/82/87/518308287.db2.gz	BXZMNULLCJETOR-QPPBQGQZSA-N	1	0	486.634	2.602	50	30		JFEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009243158	519011727	/nfs/dbraw/zinc/01/17/27/519011727.db2.gz	MLNBCGJCLBYMRD-HOGKFDNTSA-N	1	0	452.507	2.949	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009275300	523369200	/nfs/dbraw/zinc/36/92/00/523369200.db2.gz	PQKMEKDVCMUOKG-JBCNATCCSA-N	1	0	469.494	2.985	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000004040062	524021507	/nfs/dbraw/zinc/02/15/07/524021507.db2.gz	UFQDSNKMNHZQSB-FQEVSTJZSA-N	1	0	485.537	2.575	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c1C	ZINC000009275628	524021628	/nfs/dbraw/zinc/02/16/28/524021628.db2.gz	WWRADKIBTLWNIY-JOCHJYFZSA-N	1	0	499.564	2.965	50	30	biogenic	JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000009177606	524021648	/nfs/dbraw/zinc/02/16/48/524021648.db2.gz	LLWAGVNWCBPDGA-OAQYLSRUSA-N	1	0	497.548	2.735	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c1C	ZINC000009177355	524021683	/nfs/dbraw/zinc/02/16/83/524021683.db2.gz	VZBYROZUDKATKY-NRFANRHFSA-N	1	0	469.538	2.957	50	30	biogenic	JFEARO
Cn1c[n+](C2=C(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3C2=O)c2ccccc21	ZINC000003130972	527128364	/nfs/dbraw/zinc/12/83/64/527128364.db2.gz	KIZBFTWKPYJLTD-UHFFFAOYSA-O	1	0	489.489	2.600	50	30		JFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008987574	554850145	/nfs/dbraw/zinc/85/01/45/554850145.db2.gz	ZTYCJMGHETUPEQ-HOGKFDNTSA-N	1	0	470.522	2.704	50	30		JFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013550337	555491272	/nfs/dbraw/zinc/49/12/72/555491272.db2.gz	IWMRNEKEUBONNS-HXUWFJFHSA-N	1	0	453.451	2.506	50	30		JFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013552200	555492533	/nfs/dbraw/zinc/49/25/33/555492533.db2.gz	SKJSCNIWESQMTR-OAQYLSRUSA-N	1	0	467.478	2.896	50	30		JFEARO
Cn1c(=O)oc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(F)cc3)ccc21	ZINC000013685504	555578868	/nfs/dbraw/zinc/57/88/68/555578868.db2.gz	MDUXRWQNOFAZNQ-FQEVSTJZSA-N	1	0	453.470	2.801	50	30		JFEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000013736195	555606097	/nfs/dbraw/zinc/60/60/97/555606097.db2.gz	ABTHQJOMWDUKTM-OAQYLSRUSA-N	1	0	458.486	2.991	50	30		JFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccncc1	ZINC000020219713	555715473	/nfs/dbraw/zinc/71/54/73/555715473.db2.gz	WMFNMVCALMXFCR-FQEVSTJZSA-N	1	0	454.527	2.733	50	30		JFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014536078	555825086	/nfs/dbraw/zinc/82/50/86/555825086.db2.gz	NSQVUHVCGCNBKH-QHCPKHFHSA-N	1	0	463.626	2.653	50	30		JFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000012757909	556108503	/nfs/dbraw/zinc/10/85/03/556108503.db2.gz	JRKOSYSTZIJHAG-NRFANRHFSA-N	1	0	470.522	2.861	50	30		JFEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147706	556124161	/nfs/dbraw/zinc/12/41/61/556124161.db2.gz	OSOXCMFJXLWVJX-HHHXNRCGSA-N	1	0	475.545	2.912	50	30		JFEARO
C=CCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S	ZINC000033920206	569637630	/nfs/dbraw/zinc/63/76/30/569637630.db2.gz	LWMVPORSDVYBRS-SAPNQHFASA-N	1	0	455.609	2.532	50	30		JFEARO
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1	ZINC000034677797	569642120	/nfs/dbraw/zinc/64/21/20/569642120.db2.gz	WZHYOKGNCYTJEV-QHCPKHFHSA-N	1	0	481.641	2.644	50	30		JFEARO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249733	569757925	/nfs/dbraw/zinc/75/79/25/569757925.db2.gz	JJAXHNJWDJVYCW-VXKWHMMOSA-N	1	0	475.561	2.862	50	30		JFEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102931965	569828631	/nfs/dbraw/zinc/82/86/31/569828631.db2.gz	JSTZPXNEODWWLO-IAMBOQNYSA-N	1	0	464.522	2.643	50	30		JFEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102932494	569828784	/nfs/dbraw/zinc/82/87/84/569828784.db2.gz	WWYSYSWFTOIJNM-ASBZNUFUSA-N	1	0	457.502	2.931	50	30		JFEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102934706	569829242	/nfs/dbraw/zinc/82/92/42/569829242.db2.gz	GPPQKFPVAGYOAJ-OBVHCKHUSA-N	1	0	463.494	2.924	50	30		JFEARO
C#CCOC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000105003740	569849502	/nfs/dbraw/zinc/84/95/02/569849502.db2.gz	BXZMNULLCJETOR-XUZZJYLKSA-N	1	0	486.634	2.602	50	30		JFEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1	ZINC000245327407	570065306	/nfs/dbraw/zinc/06/53/06/570065306.db2.gz	IYXQFIPECBRFKV-NFBKMPQASA-N	1	0	472.582	2.867	50	30		JFEARO
COc1c2c(cc3c1[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@+](C)(CC(N)=O)CC3)OCO2	ZINC000247691959	570068746	/nfs/dbraw/zinc/06/87/46/570068746.db2.gz	WPYCUHCFLWDFDL-FKAPRUDGSA-O	1	0	488.564	2.859	50	30	biogenic	JFEARO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000253377528	570095265	/nfs/dbraw/zinc/09/52/65/570095265.db2.gz	XJHKJEXWAYXENS-VQTJNVASSA-N	1	0	475.561	2.862	50	30		JFEARO