smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000004039421	194371922	/nfs/dbraw/zinc/37/19/22/194371922.db2.gz	LJPDIYPSIKDJHF-JOCHJYFZSA-N	1	0	481.549	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)c(OC)c1	ZINC000006193529	194419913	/nfs/dbraw/zinc/41/99/13/194419913.db2.gz	NLCOVAATYOKHMQ-AYWGPLOBSA-N	1	0	468.550	3.481	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309966	128395294	/nfs/dbraw/zinc/39/52/94/128395294.db2.gz	JBQAMWZGENBMRA-IRLDBZIGSA-N	1	0	458.624	3.447	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1F	ZINC000102483837	130137571	/nfs/dbraw/zinc/13/75/71/130137571.db2.gz	HZGWRMMLUDQLHC-PGVNHDJNSA-N	1	0	450.514	3.464	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102486934	130141234	/nfs/dbraw/zinc/14/12/34/130141234.db2.gz	FACPATDWNIBCQS-JBCNATCCSA-N	1	0	453.495	3.367	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102489757	130143142	/nfs/dbraw/zinc/14/31/42/130143142.db2.gz	AQKFYUGDMNALEK-AYWGPLOBSA-N	1	0	460.534	3.173	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102502688	130156239	/nfs/dbraw/zinc/15/62/39/130156239.db2.gz	OOWRDZAKYPFMJG-NXLSWJSLSA-N	1	0	490.560	3.181	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102505762	130160137	/nfs/dbraw/zinc/16/01/37/130160137.db2.gz	VFBPIVHPFKAGDS-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccccc1OC	ZINC000102514525	130168068	/nfs/dbraw/zinc/16/80/68/130168068.db2.gz	QRQPAJWLGAAHCP-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102527059	130179589	/nfs/dbraw/zinc/17/95/89/130179589.db2.gz	IBCSRTXPCANNKW-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000102533676	130187370	/nfs/dbraw/zinc/18/73/70/130187370.db2.gz	KDCIXVNMJKBQCD-QOJBNDRUSA-N	1	0	473.957	3.445	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c1C	ZINC000102535278	130189836	/nfs/dbraw/zinc/18/98/36/130189836.db2.gz	SOBYNRHYNIDFTR-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000102573199	130214821	/nfs/dbraw/zinc/21/48/21/130214821.db2.gz	XGPAXIKUTOVSMX-HOGKFDNTSA-N	1	0	466.538	3.424	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)cc1	ZINC000102651952	130232111	/nfs/dbraw/zinc/23/21/11/130232111.db2.gz	WTJJLKFOUXXJCM-ZHHPLPSFSA-N	1	0	466.534	3.230	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102710749	130257245	/nfs/dbraw/zinc/25/72/45/130257245.db2.gz	PUIBNNXBEPEJQQ-ZHHPLPSFSA-N	1	0	498.576	3.485	50	30		JGEARO
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000102735177	130279794	/nfs/dbraw/zinc/27/97/94/130279794.db2.gz	XSPWNSRWSILMQJ-GOBYDPEUSA-N	1	0	463.578	3.449	50	30		JGEARO
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000102735173	130279832	/nfs/dbraw/zinc/27/98/32/130279832.db2.gz	XSPWNSRWSILMQJ-VAGBDARLSA-N	1	0	463.578	3.449	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102883155	130363179	/nfs/dbraw/zinc/36/31/79/130363179.db2.gz	YVUISTOILCUTRK-IAMBOQNYSA-N	1	0	490.560	3.111	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102883771	130364469	/nfs/dbraw/zinc/36/44/69/130364469.db2.gz	UXTLKAUJNBNMJF-ZHHPLPSFSA-N	1	0	498.576	3.485	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F	ZINC000102884087	130365122	/nfs/dbraw/zinc/36/51/22/130365122.db2.gz	SUCYRXJHRHYVNT-MOBKVPTQSA-N	1	0	454.498	3.360	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102888193	130369806	/nfs/dbraw/zinc/36/98/06/130369806.db2.gz	SDLNRFYDSOZUSU-HOGKFDNTSA-N	1	0	468.550	3.474	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(F)c1	ZINC000102927413	130399407	/nfs/dbraw/zinc/39/94/07/130399407.db2.gz	KQABZEQNPGSTAQ-OBVHCKHUSA-N	1	0	450.514	3.464	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C	ZINC000036309390	518308268	/nfs/dbraw/zinc/30/82/68/518308268.db2.gz	NPFJBKPMNWFJJU-GGAORHGYSA-N	1	0	470.635	3.202	50	30		JGEARO
C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H]([NH2+]CCCO)C1=CCOC1=O	ZINC000015415308	518664791	/nfs/dbraw/zinc/66/47/91/518664791.db2.gz	CPBGJYXOHYZUDZ-ZKESZXJYSA-N	1	0	491.625	3.084	50	30	biogenic	JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2	ZINC000014731442	519288253	/nfs/dbraw/zinc/28/82/53/519288253.db2.gz	FANZHAYKMCZEJO-GOSISDBHSA-N	1	0	477.531	3.002	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1c(OC)ccc3ccccc31)C2	ZINC000014746264	519288391	/nfs/dbraw/zinc/28/83/91/519288391.db2.gz	XZRMGCDERKRKDI-HXUWFJFHSA-N	1	0	460.578	3.350	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2	ZINC000014732842	519288999	/nfs/dbraw/zinc/28/89/99/519288999.db2.gz	QEUGLZOXCKSASI-QGZVFWFLSA-N	1	0	464.488	3.087	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1c(OC)ccc3ccccc31)C2	ZINC000014746265	519289654	/nfs/dbraw/zinc/28/96/54/519289654.db2.gz	XZRMGCDERKRKDI-FQEVSTJZSA-N	1	0	460.578	3.350	50	30		JGEARO
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccc(OCCO)cc3)CC2)C1=O	ZINC000012037589	519339302	/nfs/dbraw/zinc/33/93/02/519339302.db2.gz	LKRVRGRORGLTQZ-LJAQVGFWSA-N	1	0	489.616	3.216	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009357775	520419280	/nfs/dbraw/zinc/41/92/80/520419280.db2.gz	BSWXHDYTEYTDQV-ZHHPLPSFSA-N	1	0	466.534	3.230	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009339574	520647685	/nfs/dbraw/zinc/64/76/85/520647685.db2.gz	LGAZQCYXWNFXMT-OBVHCKHUSA-N	1	0	498.536	3.090	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000009065185	520652426	/nfs/dbraw/zinc/65/24/26/520652426.db2.gz	MHGSGMHKLKTTLD-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000009360941	520653954	/nfs/dbraw/zinc/65/39/54/520653954.db2.gz	JOCLVDHCWALXCQ-AYWGPLOBSA-N	1	0	494.544	3.008	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccccc1OC	ZINC000012468549	520657682	/nfs/dbraw/zinc/65/76/82/520657682.db2.gz	XCKQPDSVMYISPO-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1C	ZINC000009275527	521359956	/nfs/dbraw/zinc/35/99/56/521359956.db2.gz	MEOGQSNSBXCEAZ-NRFANRHFSA-N	1	0	453.539	3.257	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c1C	ZINC000009271272	521360397	/nfs/dbraw/zinc/36/03/97/521360397.db2.gz	JNRYOZFKFYOUKA-OAQYLSRUSA-N	1	0	453.539	3.338	50	30		JGEARO
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009460786	521421996	/nfs/dbraw/zinc/42/19/96/521421996.db2.gz	YQOCBPRHWZDOCI-AYWGPLOBSA-N	1	0	466.534	3.230	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009312127	522164387	/nfs/dbraw/zinc/16/43/87/522164387.db2.gz	BUEGZLXPAHQKFY-WAIKUNEKSA-N	1	0	478.545	3.327	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009008293	522164767	/nfs/dbraw/zinc/16/47/67/522164767.db2.gz	IKCZKZYZBFQRPZ-JBCNATCCSA-N	1	0	478.501	3.211	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000009046367	523374400	/nfs/dbraw/zinc/37/44/00/523374400.db2.gz	BAGGMFPMCAJGIJ-MRJHHRETSA-N	1	0	474.941	3.349	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000009270764	523552156	/nfs/dbraw/zinc/55/21/56/523552156.db2.gz	FHMVEUBTZROZNV-JOCHJYFZSA-N	1	0	454.523	3.248	50	30	biogenic	JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c1C	ZINC000009271309	524021111	/nfs/dbraw/zinc/02/11/11/524021111.db2.gz	RCYIGAMTVKHWLA-HXUWFJFHSA-N	1	0	457.502	3.087	50	30		JGEARO
CCc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000016742209	524052509	/nfs/dbraw/zinc/05/25/09/524052509.db2.gz	LUNVBVLFEQIDPT-QHCPKHFHSA-N	1	0	499.633	3.029	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009043073	524169683	/nfs/dbraw/zinc/16/96/83/524169683.db2.gz	VMQYILFEJFRERR-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000009270724	524169726	/nfs/dbraw/zinc/16/97/26/524169726.db2.gz	JPEKRPZFFWUSGZ-MRJHHRETSA-N	1	0	450.491	3.433	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc(OC)c3OC)oc21	ZINC000009045650	524258163	/nfs/dbraw/zinc/25/81/63/524258163.db2.gz	HHLNRYKKRHPPIF-JBCNATCCSA-N	1	0	480.517	3.442	50	30		JGEARO
Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c(=O)c1C#N	ZINC000033048813	524511634	/nfs/dbraw/zinc/51/16/34/524511634.db2.gz	VTWXBMXIUITFNL-UHFFFAOYSA-N	1	0	475.593	3.066	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009274141	525224608	/nfs/dbraw/zinc/22/46/08/525224608.db2.gz	XKSWQIDORWWUAZ-HSZRJFAPSA-N	1	0	460.534	3.329	50	30		JGEARO
Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc[n+]1CC(=O)c1ccccc1	ZINC000012524371	525702370	/nfs/dbraw/zinc/70/23/70/525702370.db2.gz	LTGSNLNDYFWXMP-UHFFFAOYSA-N	1	0	496.565	3.371	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1	ZINC000009044874	525756953	/nfs/dbraw/zinc/75/69/53/525756953.db2.gz	YTUYGNCVYYGGPX-JBCNATCCSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c1	ZINC000020150047	525781478	/nfs/dbraw/zinc/78/14/78/525781478.db2.gz	NZHRHYFNTLPTOL-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000020281799	525791093	/nfs/dbraw/zinc/79/10/93/525791093.db2.gz	YMGGLBLGNVSACZ-XMMPIXPASA-N	1	0	463.578	3.266	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102520062	535284374	/nfs/dbraw/zinc/28/43/74/535284374.db2.gz	ZUJCCEDJXZEHFI-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1	ZINC000102563387	535508829	/nfs/dbraw/zinc/50/88/29/535508829.db2.gz	PHOSBOUDAQZKHJ-MOBKVPTQSA-N	1	0	451.523	3.006	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102527487	536561389	/nfs/dbraw/zinc/56/13/89/536561389.db2.gz	ZTFJJHYTCQNLQR-JBCNATCCSA-N	1	0	453.495	3.285	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102527481	536564426	/nfs/dbraw/zinc/56/44/26/536564426.db2.gz	ZTFJJHYTCQNLQR-MRJHHRETSA-N	1	0	453.495	3.285	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000102728554	536566477	/nfs/dbraw/zinc/56/64/77/536566477.db2.gz	JYJNXQGSDDPBCP-HOGKFDNTSA-N	1	0	484.549	3.013	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102698048	536884794	/nfs/dbraw/zinc/88/47/94/536884794.db2.gz	GKADESAEBYDJHZ-MOBKVPTQSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102714616	536884830	/nfs/dbraw/zinc/88/48/30/536884830.db2.gz	WLMKTVXANSWENJ-MRJHHRETSA-N	1	0	472.513	3.225	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000008817190	554699765	/nfs/dbraw/zinc/69/97/65/554699765.db2.gz	VTNACDIGHXSZJP-QFIPXVFZSA-N	1	0	454.523	3.161	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000008817175	554699863	/nfs/dbraw/zinc/69/98/63/554699863.db2.gz	ZMKXOVLIVIZORF-LJQANCHMSA-N	1	0	459.568	3.307	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC	ZINC000008817545	554700404	/nfs/dbraw/zinc/70/04/04/554700404.db2.gz	OVNXQJINXJJFTA-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008913953	554807090	/nfs/dbraw/zinc/80/70/90/554807090.db2.gz	YPEONUBMSLVFMS-JOCHJYFZSA-N	1	0	452.507	3.342	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1	ZINC000008914033	554807119	/nfs/dbraw/zinc/80/71/19/554807119.db2.gz	RUUGEAPVNATYJW-NHFXJNLRSA-N	1	0	487.350	3.204	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1C	ZINC000009007556	554860623	/nfs/dbraw/zinc/86/06/23/554860623.db2.gz	SUCJNTGRCJTYRS-NRFANRHFSA-N	1	0	471.529	3.477	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000019861543	555520119	/nfs/dbraw/zinc/52/01/19/555520119.db2.gz	SCXLWWHZPCJBSH-MHZLTWQESA-N	1	0	459.546	3.212	50	30		JGEARO
C=CCN1C(=O)[C@@]2(SC1=S)[C@H](c1cccs1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000013626049	555539320	/nfs/dbraw/zinc/53/93/20/555539320.db2.gz	KRPQOPDMBHSFMP-FNVCAUGXSA-N	1	0	485.656	3.443	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000019955948	555570884	/nfs/dbraw/zinc/57/08/84/555570884.db2.gz	ILOCARWTRSNGOR-JOCHJYFZSA-N	1	0	484.549	3.251	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000013715018	555592735	/nfs/dbraw/zinc/59/27/35/555592735.db2.gz	GVFLPCPVWUJVGW-IBGZPJMESA-N	1	0	459.886	3.397	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020100929	555633852	/nfs/dbraw/zinc/63/38/52/555633852.db2.gz	YIKAYMXQBQLPHA-FQEVSTJZSA-N	1	0	468.466	3.423	50	30		JGEARO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000020112180	555649189	/nfs/dbraw/zinc/64/91/89/555649189.db2.gz	CBFIGQHHGJBHAY-BTZAVWNXSA-N	1	0	468.594	3.058	50	30	biogenic	JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000020171645	555681160	/nfs/dbraw/zinc/68/11/60/555681160.db2.gz	WYGMKTWVAOYBQV-QHCPKHFHSA-N	1	0	466.534	3.409	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020191108	555692141	/nfs/dbraw/zinc/69/21/41/555692141.db2.gz	YHFAGRLEDWOHTD-HSZRJFAPSA-N	1	0	484.549	3.251	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020218954	555713161	/nfs/dbraw/zinc/71/31/61/555713161.db2.gz	KCSGLKNJPSHZCH-GNNUASRNSA-N	1	0	452.507	3.386	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020219228	555713478	/nfs/dbraw/zinc/71/34/78/555713478.db2.gz	DYQDOELTPLVXCE-QFIPXVFZSA-N	1	0	477.521	3.471	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219348	555713823	/nfs/dbraw/zinc/71/38/23/555713823.db2.gz	OOIQZWHIBDZDBC-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020219617	555715241	/nfs/dbraw/zinc/71/52/41/555715241.db2.gz	LKGTWPUXNUSIGH-HSZRJFAPSA-N	1	0	490.560	3.349	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C)o1	ZINC000020219717	555715480	/nfs/dbraw/zinc/71/54/80/555715480.db2.gz	AZELFTLTHYIUDI-FQEVSTJZSA-N	1	0	457.527	3.240	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(OC)c1	ZINC000020292043	555761940	/nfs/dbraw/zinc/76/19/40/555761940.db2.gz	JSUOZBYAXBJCLL-DEOSSOPVSA-N	1	0	496.560	3.482	50	30		JGEARO
Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000020310082	555768025	/nfs/dbraw/zinc/76/80/25/555768025.db2.gz	UADUKRYGKJIBTE-NRFANRHFSA-N	1	0	453.495	3.447	50	30		JGEARO
Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000020310086	555768129	/nfs/dbraw/zinc/76/81/29/555768129.db2.gz	UADUKRYGKJIBTE-OAQYLSRUSA-N	1	0	453.495	3.447	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000022942215	555992871	/nfs/dbraw/zinc/99/28/71/555992871.db2.gz	ACRVGYBREMVTQN-OAQYLSRUSA-N	1	0	490.387	3.486	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000012575306	556075390	/nfs/dbraw/zinc/07/53/90/556075390.db2.gz	XQOWLTLRXONREL-NRFANRHFSA-N	1	0	454.523	3.242	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Br)c1	ZINC000012757816	556108528	/nfs/dbraw/zinc/10/85/28/556108528.db2.gz	HLGOVJVEJJFIKB-FQEVSTJZSA-N	1	0	487.350	3.360	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147511	556124107	/nfs/dbraw/zinc/12/41/07/556124107.db2.gz	HBMQXAGSUVTHPZ-MUUNZHRXSA-N	1	0	489.572	3.302	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024192910	556125553	/nfs/dbraw/zinc/12/55/53/556125553.db2.gz	KKFJLCILGNKHBT-VWLOTQADSA-N	1	0	467.953	3.391	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000016734858	556156138	/nfs/dbraw/zinc/15/61/38/556156138.db2.gz	FSVYNHNJRVGBTR-QFIPXVFZSA-N	1	0	464.518	3.178	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000017147634	556226615	/nfs/dbraw/zinc/22/66/15/556226615.db2.gz	LROIVJIKLBFUHT-QHCPKHFHSA-N	1	0	460.534	3.329	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000017731863	556265149	/nfs/dbraw/zinc/26/51/49/556265149.db2.gz	CXTBOKKLPAUSDI-QHCPKHFHSA-N	1	0	482.533	3.005	50	30		JGEARO
C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C(=O)NCCOC)N(Cc2ccccc2Cl)C1	ZINC000032590390	556447281	/nfs/dbraw/zinc/44/72/81/556447281.db2.gz	NEFDPZFCQBSLID-GMAHTHKFSA-N	1	0	458.002	3.400	50	30		JGEARO
COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000057063736	563206458	/nfs/dbraw/zinc/20/64/58/563206458.db2.gz	ISBKJDDIANGRKM-CTNGQTDRSA-N	1	0	459.550	3.137	50	30		JGEARO
C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1	ZINC000034677101	569641777	/nfs/dbraw/zinc/64/17/77/569641777.db2.gz	LGVLHQXMYGLEGF-LJQANCHMSA-N	1	0	466.504	3.068	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@H]2c2cc3c(c(OC)c2)OCO3)c1	ZINC000085412824	569710654	/nfs/dbraw/zinc/71/06/54/569710654.db2.gz	UCDVFIGWJNPIDF-QFIPXVFZSA-N	1	0	480.517	3.107	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2cc3c(c(OC)c2)OCO3)c1	ZINC000085412819	569710689	/nfs/dbraw/zinc/71/06/89/569710689.db2.gz	UCDVFIGWJNPIDF-JOCHJYFZSA-N	1	0	480.517	3.107	50	30		JGEARO
CCCCCCC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1	ZINC000101087095	569782074	/nfs/dbraw/zinc/78/20/74/569782074.db2.gz	ZWEPDIQJEMDPHB-UHFFFAOYSA-N	1	0	480.657	3.159	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101928250	569808002	/nfs/dbraw/zinc/80/80/02/569808002.db2.gz	NGGIDWAJMBSNFI-MRJHHRETSA-N	1	0	453.495	3.365	50	30		JGEARO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)cc1	ZINC000039791517	569812050	/nfs/dbraw/zinc/81/20/50/569812050.db2.gz	ZTSKAYLSNCHOHG-UHFFFAOYSA-N	1	0	459.594	3.377	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102574052	569814344	/nfs/dbraw/zinc/81/43/44/569814344.db2.gz	FLCDFQZGCPHLHY-NHFXJNLRSA-N	1	0	468.466	3.267	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1	ZINC000103892418	569838824	/nfs/dbraw/zinc/83/88/24/569838824.db2.gz	QYUSNRLXEYSTEO-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000103953488	569839553	/nfs/dbraw/zinc/83/95/53/569839553.db2.gz	NXGHRNSPVDYNIT-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000103968549	569839628	/nfs/dbraw/zinc/83/96/28/569839628.db2.gz	VDWXQAQBCOQPGC-MOBKVPTQSA-N	1	0	454.523	3.091	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1	ZINC000105002825	569849178	/nfs/dbraw/zinc/84/91/78/569849178.db2.gz	DIQGBFQZMLIWAW-QPPBQGQZSA-N	1	0	468.619	3.036	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1	ZINC000105002623	569849323	/nfs/dbraw/zinc/84/93/23/569849323.db2.gz	SLITVIICMVLYNN-YKSBVNFPSA-N	1	0	486.634	3.289	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1	ZINC000245327927	570065513	/nfs/dbraw/zinc/06/55/13/570065513.db2.gz	LPEOKWCSDYXJPY-ZJSXRUAMSA-N	1	0	486.609	3.115	50	30		JGEARO
CCN(CC)c1ccc(C=[NH+]N/C=C2/c3ccc(C4=NNC(=O)CC4)cc3N(CC)C2=O)cc1	ZINC000252625229	570088148	/nfs/dbraw/zinc/08/81/48/570088148.db2.gz	QFRUZJVNXDQAAP-HCABERSFSA-N	1	0	458.566	3.478	50	30		JGEARO
C[C@@H]1CC[C@@H]2[C@H](C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13	ZINC000253488049	570099960	/nfs/dbraw/zinc/09/99/60/570099960.db2.gz	WANWSAWPRCZBGT-NIQYBIRWSA-N	1	0	468.594	3.058	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC	ZINC000009403463	124130863	/nfs/dbraw/zinc/13/08/63/124130863.db2.gz	XPUQSYWNXYKCKO-NXLSWJSLSA-N	1	0	496.560	3.239	50	30		JGEARO
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@@H]3CCc4cc(C#N)ccc4C3)CC1)O2	ZINC000003793089	194361610	/nfs/dbraw/zinc/36/16/10/194361610.db2.gz	IQLSBKXSEGGVPO-OAQYLSRUSA-N	1	0	465.575	3.287	50	30		JGEARO
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020612368	195185997	/nfs/dbraw/zinc/18/59/97/195185997.db2.gz	HKCGPXDYAIWCMR-RMUNQMPPSA-N	1	0	468.594	3.060	50	30	biogenic	JGEARO
COc1c2c(cc([C@@H]3C(C(=O)c4cccs4)=C(O)C(=O)N3CC[NH+]3CCCC3)c1OC)OCO2	ZINC000096335796	130071853	/nfs/dbraw/zinc/07/18/53/130071853.db2.gz	VTRZLICDTQOOBB-GOSISDBHSA-N	1	0	486.546	3.168	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102486214	130140257	/nfs/dbraw/zinc/14/02/57/130140257.db2.gz	JSWOGLDOMJNYHT-WOOAAIBNSA-N	1	0	489.594	3.159	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccccc1OC	ZINC000102514533	130168239	/nfs/dbraw/zinc/16/82/39/130168239.db2.gz	QRQPAJWLGAAHCP-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(F)cc1	ZINC000102515490	130168687	/nfs/dbraw/zinc/16/86/87/130168687.db2.gz	RABAISPRACZYMV-PGVNHDJNSA-N	1	0	450.514	3.464	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000102535283	130189785	/nfs/dbraw/zinc/18/97/85/130189785.db2.gz	SOBYNRHYNIDFTR-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccccc1	ZINC000102538540	130193022	/nfs/dbraw/zinc/19/30/22/130193022.db2.gz	WBHCHDRRDIJTOA-OBVHCKHUSA-N	1	0	453.539	3.182	50	30		JGEARO
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102641411	130228586	/nfs/dbraw/zinc/22/85/86/130228586.db2.gz	DEQFKPWVHDTFIW-ZHHPLPSFSA-N	1	0	459.502	3.475	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102749939	130289699	/nfs/dbraw/zinc/28/96/99/130289699.db2.gz	BIYYZDQVVDLGGB-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000102867183	130340054	/nfs/dbraw/zinc/34/00/54/130340054.db2.gz	VZOPLGAKBGRQEC-SBXHHDGASA-N	1	0	479.577	3.287	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102878314	130352191	/nfs/dbraw/zinc/35/21/91/130352191.db2.gz	SLPYZUQOTWFPRK-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102888191	130369631	/nfs/dbraw/zinc/36/96/31/130369631.db2.gz	SDLNRFYDSOZUSU-MOBKVPTQSA-N	1	0	468.550	3.474	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102888904	130370286	/nfs/dbraw/zinc/37/02/86/130370286.db2.gz	YKODINDEQMLVMA-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036306959	518300100	/nfs/dbraw/zinc/30/01/00/518300100.db2.gz	GQOCBWWCLLCNJA-QFIPXVFZSA-N	1	0	467.541	3.478	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1	ZINC000036310207	518307563	/nfs/dbraw/zinc/30/75/63/518307563.db2.gz	LPEOKWCSDYXJPY-QPPBQGQZSA-N	1	0	486.609	3.115	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1	ZINC000036309635	518308086	/nfs/dbraw/zinc/30/80/86/518308086.db2.gz	MPMPFCSOENPVEG-OFNKIYASSA-N	1	0	474.598	3.115	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1	ZINC000036309502	518308212	/nfs/dbraw/zinc/30/82/12/518308212.db2.gz	IQZYJRUVCBLECX-QPPBQGQZSA-N	1	0	470.635	3.284	50	30		JGEARO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000015319801	518606089	/nfs/dbraw/zinc/60/60/89/518606089.db2.gz	LJQKSAIRVJCXHL-POHGFMBCSA-N	1	0	475.614	3.331	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000020461543	518878939	/nfs/dbraw/zinc/87/89/39/518878939.db2.gz	UQJRXMVITFQELU-MUUNZHRXSA-N	1	0	489.572	3.302	50	30		JGEARO
C=CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1	ZINC000036309576	518981153	/nfs/dbraw/zinc/98/11/53/518981153.db2.gz	NYVQDPNVDHMBKT-REWPJTCUSA-N	1	0	474.598	3.420	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020395160	519019282	/nfs/dbraw/zinc/01/92/82/519019282.db2.gz	VLCWKRLMAWQNIY-HSZRJFAPSA-N	1	0	466.534	3.496	50	30		JGEARO
C=CCOc1ccccc1C[NH+]1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1	ZINC000011913024	519070771	/nfs/dbraw/zinc/07/07/71/519070771.db2.gz	XSOPXJDSYGAUBN-NEKDWFFYSA-N	1	0	490.604	3.485	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c(=O)c1=O	ZINC000033272729	519265329	/nfs/dbraw/zinc/26/53/29/519265329.db2.gz	XLNWXHXGWCIMPD-UHFFFAOYSA-N	1	0	486.616	3.488	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)c(=O)c1=O	ZINC000021663091	519266266	/nfs/dbraw/zinc/26/62/66/519266266.db2.gz	SZEHVIWSBLELBC-UHFFFAOYSA-N	1	0	486.616	3.488	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(F)cc1	ZINC000009270693	520647450	/nfs/dbraw/zinc/64/74/50/520647450.db2.gz	QVNREPLYUWHBRI-OBVHCKHUSA-N	1	0	471.529	3.321	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000009271231	520654136	/nfs/dbraw/zinc/65/41/36/520654136.db2.gz	UAHRVRMYSUOOGJ-LFVOPCPISA-N	1	0	471.579	3.310	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)cc1OC	ZINC000016735042	520659319	/nfs/dbraw/zinc/65/93/19/520659319.db2.gz	DKDOZCKKMGCCTB-DEOSSOPVSA-N	1	0	496.560	3.395	50	30		JGEARO
CCOC(=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	ZINC000009177240	521360380	/nfs/dbraw/zinc/36/03/80/521360380.db2.gz	IFDAHVKHJSNKKO-NRFANRHFSA-N	1	0	498.536	3.246	50	30		JGEARO
CCOC(=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	ZINC000009046126	521360598	/nfs/dbraw/zinc/36/05/98/521360598.db2.gz	LNZVYQGOFNMCPY-NRFANRHFSA-N	1	0	498.536	3.246	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000009042799	521361545	/nfs/dbraw/zinc/36/15/45/521361545.db2.gz	GJVVPRCRDUVWAR-NRFANRHFSA-N	1	0	471.529	3.477	50	30		JGEARO
Cn1c([C@H]2COc3ccccc3O2)nn(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1=S	ZINC000048275250	521749160	/nfs/dbraw/zinc/74/91/60/521749160.db2.gz	NIFBIWFOACJION-JOCHJYFZSA-N	1	0	464.595	3.357	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009008294	522170833	/nfs/dbraw/zinc/17/08/33/522170833.db2.gz	IKCZKZYZBFQRPZ-MRJHHRETSA-N	1	0	478.501	3.211	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1OC	ZINC000009123719	523369651	/nfs/dbraw/zinc/36/96/51/523369651.db2.gz	IRIJCSWOFMQUSP-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1F	ZINC000016265259	523553348	/nfs/dbraw/zinc/55/33/48/523553348.db2.gz	ZZISQHWOSRDLHI-NRFANRHFSA-N	1	0	458.486	3.079	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c1C	ZINC000009070718	524020703	/nfs/dbraw/zinc/02/07/03/524020703.db2.gz	XWWRQXYFDNSLPK-IBGZPJMESA-N	1	0	459.930	3.211	50	30		JGEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1	ZINC000009312950	524054218	/nfs/dbraw/zinc/05/42/18/524054218.db2.gz	PYYUYEUQPQVUHC-JBCNATCCSA-N	1	0	456.926	3.485	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000102701717	534968755	/nfs/dbraw/zinc/96/87/55/534968755.db2.gz	NTMSZQHUHVDLNW-HOGKFDNTSA-N	1	0	452.507	3.186	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000102529964	535688194	/nfs/dbraw/zinc/68/81/94/535688194.db2.gz	QKLWYQHAMFVJSB-ZHHPLPSFSA-N	1	0	468.550	3.481	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000102864354	536560879	/nfs/dbraw/zinc/56/08/79/536560879.db2.gz	LCANNIVZPWTZMC-AYWGPLOBSA-N	1	0	498.576	3.403	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1C	ZINC000102727161	536562077	/nfs/dbraw/zinc/56/20/77/536562077.db2.gz	BAAHNVBZDMJWJW-HOGKFDNTSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000102487352	536563098	/nfs/dbraw/zinc/56/30/98/536563098.db2.gz	HTOCGJNOFHTDKU-MOBKVPTQSA-N	1	0	468.550	3.394	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008743945	554646990	/nfs/dbraw/zinc/64/69/90/554646990.db2.gz	PUIBNNXBEPEJQQ-AYWGPLOBSA-N	1	0	498.576	3.485	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000008894858	554784468	/nfs/dbraw/zinc/78/44/68/554784468.db2.gz	HSUNNXMGTBVHBK-BUANBSPESA-N	1	0	462.550	3.415	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000008896781	554786762	/nfs/dbraw/zinc/78/67/62/554786762.db2.gz	NEGZWJUITQZGGU-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000008904225	554798545	/nfs/dbraw/zinc/79/85/45/554798545.db2.gz	XEOCJRBDMGYODJ-HOGKFDNTSA-N	1	0	480.517	3.442	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008914105	554807060	/nfs/dbraw/zinc/80/70/60/554807060.db2.gz	KHGDXYSGINTPQY-HOGKFDNTSA-N	1	0	468.550	3.476	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008920398	554817120	/nfs/dbraw/zinc/81/71/20/554817120.db2.gz	OOGRUEDATVRUCI-MRJHHRETSA-N	1	0	453.495	3.367	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008920395	554817157	/nfs/dbraw/zinc/81/71/57/554817157.db2.gz	OOGRUEDATVRUCI-JBCNATCCSA-N	1	0	453.495	3.367	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c1C	ZINC000008984974	554848560	/nfs/dbraw/zinc/84/85/60/554848560.db2.gz	IXRYBEXHHFSXOM-IBGZPJMESA-N	1	0	459.568	3.400	50	30		JGEARO
COc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(Br)cc2)cc1OC	ZINC000013366994	555389085	/nfs/dbraw/zinc/38/90/85/555389085.db2.gz	TVNMHBSCIUGBII-QFIPXVFZSA-O	1	0	483.342	3.480	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000013536622	555488733	/nfs/dbraw/zinc/48/87/33/555488733.db2.gz	OWJRNQWWFGEPMU-NRFANRHFSA-N	1	0	469.494	3.229	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000013552606	555492731	/nfs/dbraw/zinc/49/27/31/555492731.db2.gz	SZVZXGBNONFLBR-FQEVSTJZSA-N	1	0	458.511	3.226	50	30		JGEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc1	ZINC000013569107	555507447	/nfs/dbraw/zinc/50/74/47/555507447.db2.gz	JSCGIQSDFKGWRP-HSZRJFAPSA-N	1	0	497.617	3.001	50	30		JGEARO
CCCCn1cc[n+](C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000013635389	555544696	/nfs/dbraw/zinc/54/46/96/555544696.db2.gz	ZARDQFVCGYZNMP-UHFFFAOYSA-O	1	0	470.958	3.455	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000013693578	555588650	/nfs/dbraw/zinc/58/86/50/555588650.db2.gz	QFIMCKORAZKHGK-GOSISDBHSA-N	1	0	451.354	3.484	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020029472	555604887	/nfs/dbraw/zinc/60/48/87/555604887.db2.gz	VFGVXPLXUBTSGT-JOCHJYFZSA-N	1	0	484.549	3.251	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000013733350	555605081	/nfs/dbraw/zinc/60/50/81/555605081.db2.gz	CWNDOWPRHJTTHP-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020171154	555680469	/nfs/dbraw/zinc/68/04/69/555680469.db2.gz	GLARYAIWGQKTDQ-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000020171449	555680892	/nfs/dbraw/zinc/68/08/92/555680892.db2.gz	ALBJEIZJXYUQHA-NRFANRHFSA-N	1	0	469.494	3.142	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000020191382	555692296	/nfs/dbraw/zinc/69/22/96/555692296.db2.gz	OMKVYNGYVCFSPW-JOCHJYFZSA-N	1	0	466.534	3.409	50	30		JGEARO
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020193170	555694537	/nfs/dbraw/zinc/69/45/37/555694537.db2.gz	QIOUYCFQAAAVKC-JOCHJYFZSA-N	1	0	452.507	3.344	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC	ZINC000020219523	555714805	/nfs/dbraw/zinc/71/48/05/555714805.db2.gz	DBBVJFROIXTSKW-DEOSSOPVSA-N	1	0	496.560	3.395	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020219519	555714834	/nfs/dbraw/zinc/71/48/34/555714834.db2.gz	AIFJJGIYVLGRRZ-QHCPKHFHSA-N	1	0	482.533	3.005	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219877	555716506	/nfs/dbraw/zinc/71/65/06/555716506.db2.gz	PVNWDVVPKLTOPS-NRFANRHFSA-N	1	0	478.501	3.368	50	30	biogenic	JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020229564	555720320	/nfs/dbraw/zinc/72/03/20/555720320.db2.gz	CNMLIKRKUVHAKE-NRFANRHFSA-N	1	0	451.479	3.300	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000020231325	555721320	/nfs/dbraw/zinc/72/13/20/555721320.db2.gz	TWDYZPNKJPIVGQ-LJQANCHMSA-N	1	0	459.886	3.397	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2	ZINC000014538954	555828629	/nfs/dbraw/zinc/82/86/29/555828629.db2.gz	INXABJXRCFOCHX-QGZVFWFLSA-N	1	0	464.488	3.087	50	30		JGEARO
COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000057063735	563206460	/nfs/dbraw/zinc/20/64/60/563206460.db2.gz	ISBKJDDIANGRKM-FPOVZHCZSA-N	1	0	459.550	3.137	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccc3c(c2)OCO3)c1	ZINC000085412608	569710504	/nfs/dbraw/zinc/71/05/04/569710504.db2.gz	BRIBUURLWRRVIB-JOCHJYFZSA-N	1	0	450.491	3.098	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000101287128	569789253	/nfs/dbraw/zinc/78/92/53/569789253.db2.gz	YAJHFPAULAOYKY-ZHHPLPSFSA-N	1	0	466.534	3.252	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000101287900	569789722	/nfs/dbraw/zinc/78/97/22/569789722.db2.gz	JXCGYAIEMRZDPU-MOBKVPTQSA-N	1	0	466.534	3.252	50	30		JGEARO
C=CCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S	ZINC000039948101	569812437	/nfs/dbraw/zinc/81/24/37/569812437.db2.gz	MYXCEBCMHHBQMH-GHRIWEEISA-N	1	0	466.592	3.089	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000103904069	569838929	/nfs/dbraw/zinc/83/89/29/569838929.db2.gz	MPMFKXCWRBKSFR-MOBKVPTQSA-N	1	0	454.523	3.004	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1	ZINC000105002773	569849320	/nfs/dbraw/zinc/84/93/20/569849320.db2.gz	IQZYJRUVCBLECX-XUZZJYLKSA-N	1	0	470.635	3.284	50	30		JGEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1ccccc1)C[N@@H+](C)[C@]21c2cc(OC)ccc2N(C)C1=O	ZINC000105973430	569853684	/nfs/dbraw/zinc/85/36/84/569853684.db2.gz	WIXGEDWAWMYIHU-PNTFMKQHSA-N	1	0	479.627	3.381	50	30		JGEARO
C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3C#N)C[C@@H]12	ZINC000169679206	569869509	/nfs/dbraw/zinc/86/95/09/569869509.db2.gz	HPFXGNUCIUNHIS-OFNKIYASSA-N	1	0	471.527	3.122	50	30		JGEARO
C=CCN1C(=S)S[C@@]2(C1=O)[C@@H](c1cccs1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000227249783	570040117	/nfs/dbraw/zinc/04/01/17/570040117.db2.gz	KRPQOPDMBHSFMP-ZGNKEGEESA-N	1	0	485.656	3.443	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000245328759	570065835	/nfs/dbraw/zinc/06/58/35/570065835.db2.gz	PKRMEVGNKQBCDT-ZJSXRUAMSA-N	1	0	488.650	3.155	50	30		JGEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(OC)cc2)OCO3)C1	ZINC000252441180	570080513	/nfs/dbraw/zinc/08/05/13/570080513.db2.gz	JNIQKAMZVVFCTH-GYAHLDOBSA-N	1	0	454.499	3.004	50	30		JGEARO
C[C@@H]1CC[C@@H]2[C@H](C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@H]2O[C@@]2(C)CC[C@H]13	ZINC000253488050	570099964	/nfs/dbraw/zinc/09/99/64/570099964.db2.gz	WANWSAWPRCZBGT-PKFJQWBNSA-N	1	0	468.594	3.058	50	30		JGEARO
COc1c2c(cc([C@H]3C(C(=O)c4cccs4)=C(O)C(=O)N3CC[NH+]3CCCC3)c1OC)OCO2	ZINC000096335797	130071908	/nfs/dbraw/zinc/07/19/08/130071908.db2.gz	VTRZLICDTQOOBB-SFHVURJKSA-N	1	0	486.546	3.168	50	30		JGEARO
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)ccc1OC(C)C	ZINC000102377740	130124799	/nfs/dbraw/zinc/12/47/99/130124799.db2.gz	ZCMDZRKGOGOHAH-NXLSWJSLSA-N	1	0	479.577	3.321	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000102525562	130177710	/nfs/dbraw/zinc/17/77/10/130177710.db2.gz	UILRBKNUCFGAAZ-QOJBNDRUSA-N	1	0	473.957	3.445	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000102712740	130259064	/nfs/dbraw/zinc/25/90/64/130259064.db2.gz	FVVZQQVDUYESII-MRJHHRETSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102859166	130329425	/nfs/dbraw/zinc/32/94/25/130329425.db2.gz	ILZBAJPTJQEATO-XTNNDJGYSA-N	1	0	450.535	3.392	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c1C	ZINC000102877797	130351790	/nfs/dbraw/zinc/35/17/90/130351790.db2.gz	MQAYAGPRVUXHMR-WENBPLFZSA-N	1	0	459.568	3.243	50	30		JGEARO
CCOC(=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	ZINC000102924802	130394874	/nfs/dbraw/zinc/39/48/74/130394874.db2.gz	OFHBJDSPZVUJIR-OBVHCKHUSA-N	1	0	498.536	3.090	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020357670	519020267	/nfs/dbraw/zinc/02/02/67/519020267.db2.gz	CPNMVSAVQZTVHB-QFIPXVFZSA-N	1	0	452.507	3.106	50	30		JGEARO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009354201	519058557	/nfs/dbraw/zinc/05/85/57/519058557.db2.gz	GSKUFCLRKMLHHQ-SBXHHDGASA-N	1	0	478.545	3.396	50	30		JGEARO
C=CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1	ZINC000011973177	519069631	/nfs/dbraw/zinc/06/96/31/519069631.db2.gz	RWPZDQFOMMOZGK-LJQANCHMSA-N	1	0	461.566	3.401	50	30		JGEARO
C=CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)c(OC)c1	ZINC000009245449	519136453	/nfs/dbraw/zinc/13/64/53/519136453.db2.gz	UOJQCOGOSXCFKM-UHFFFAOYSA-N	1	0	487.622	3.156	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)c(=O)c1=O	ZINC000033272775	519265992	/nfs/dbraw/zinc/26/59/92/519265992.db2.gz	HLOOBOUSMCYBML-NRFANRHFSA-N	1	0	474.605	3.392	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2	ZINC000014747039	519289980	/nfs/dbraw/zinc/28/99/80/519289980.db2.gz	HIQJRNVSQIVDMA-IBGZPJMESA-N	1	0	461.532	3.123	50	30		JGEARO
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+]([C@H](C)Cc3ccccn3)CC2)C1=O	ZINC000011791077	519341062	/nfs/dbraw/zinc/34/10/62/519341062.db2.gz	UUIABLIMBOIJKK-HRFSGMKKSA-N	1	0	462.569	3.420	50	30		JGEARO
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+]([C@H](C)CCn3cccn3)CC2)C1=O	ZINC000012218595	519342418	/nfs/dbraw/zinc/34/24/18/519342418.db2.gz	BOVOIARPIQDLGB-FQRUVTKNSA-N	1	0	465.573	3.069	50	30		JGEARO
CC(C)n1cc[n+](C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000013809761	519985889	/nfs/dbraw/zinc/98/58/89/519985889.db2.gz	MABYNUXTDAOKNS-UHFFFAOYSA-O	1	0	456.931	3.236	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(OC)ccc1OC	ZINC000009065184	520650365	/nfs/dbraw/zinc/65/03/65/520650365.db2.gz	MHGSGMHKLKTTLD-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009177935	520654194	/nfs/dbraw/zinc/65/41/94/520654194.db2.gz	XWWALGNXODBGDY-GHNGSUTGSA-N	1	0	458.540	3.432	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009135512	521232720	/nfs/dbraw/zinc/23/27/20/521232720.db2.gz	UMFMXGVNEKUIAB-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c1C	ZINC000009123134	521360150	/nfs/dbraw/zinc/36/01/50/521360150.db2.gz	BHQFTYLATVUEES-OAQYLSRUSA-N	1	0	471.529	3.477	50	30		JGEARO
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009244300	521422080	/nfs/dbraw/zinc/42/20/80/521422080.db2.gz	XVMODKPDUQNFEA-KZVIGXRYSA-N	1	0	450.535	3.392	50	30		JGEARO
Cn1c([C@@H]2COc3ccccc3O2)nn(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1=S	ZINC000048275248	521749707	/nfs/dbraw/zinc/74/97/07/521749707.db2.gz	NIFBIWFOACJION-QFIPXVFZSA-N	1	0	464.595	3.357	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000013552639	522956591	/nfs/dbraw/zinc/95/65/91/522956591.db2.gz	ZACWDNSSVSHABZ-IBGZPJMESA-N	1	0	460.552	3.304	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1C	ZINC000009271666	523554890	/nfs/dbraw/zinc/55/48/90/523554890.db2.gz	GKJCEWCYEBJFKE-NRFANRHFSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1C	ZINC000009271667	523556321	/nfs/dbraw/zinc/55/63/21/523556321.db2.gz	GKJCEWCYEBJFKE-OAQYLSRUSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000009123273	523557578	/nfs/dbraw/zinc/55/75/78/523557578.db2.gz	DYVHHNWCBGWTHT-JOCHJYFZSA-N	1	0	454.523	3.161	50	30		JGEARO
CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014744384	523715232	/nfs/dbraw/zinc/71/52/32/523715232.db2.gz	WPOVLYSSFNFATQ-UHFFFAOYSA-N	1	0	474.605	3.065	50	30		JGEARO
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	ZINC000009186588	524020999	/nfs/dbraw/zinc/02/09/99/524020999.db2.gz	PKSNCBYVSSPMFM-FQEVSTJZSA-N	1	0	457.502	3.087	50	30		JGEARO
CN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020439805	524054916	/nfs/dbraw/zinc/05/49/16/524054916.db2.gz	ZJPYSYIVGOCMIS-SANMLTNESA-N	1	0	459.502	3.093	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000012468546	524109697	/nfs/dbraw/zinc/10/96/97/524109697.db2.gz	NMYYSPKGEKKNRQ-JOCHJYFZSA-N	1	0	492.576	3.498	50	30		JGEARO
Cc1ccc(CN2CC[NH+](C[C@H](O)Cn3c4ccccc4n4c3c(C#N)c(C)cc4=O)CC2)c(C)c1	ZINC000020479191	524458143	/nfs/dbraw/zinc/45/81/43/524458143.db2.gz	WRJBHHPQSZPKNN-DEOSSOPVSA-N	1	0	483.616	3.230	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008905226	524892178	/nfs/dbraw/zinc/89/21/78/524892178.db2.gz	NOJCZTMPMFSGDU-JOCHJYFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009271642	525383802	/nfs/dbraw/zinc/38/38/02/525383802.db2.gz	GGTSVKJMHOWQPU-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000009186815	525552161	/nfs/dbraw/zinc/55/21/61/525552161.db2.gz	JSYONGGTTDKCII-QFIPXVFZSA-N	1	0	475.505	3.229	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000009302195	525552617	/nfs/dbraw/zinc/55/26/17/525552617.db2.gz	NIBDPSBWELDLLP-QFIPXVFZSA-N	1	0	475.505	3.229	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045432	527091808	/nfs/dbraw/zinc/09/18/08/527091808.db2.gz	HZCHFABZXSFNMQ-NRFANRHFSA-N	1	0	477.521	3.389	50	30		JGEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045195	527175897	/nfs/dbraw/zinc/17/58/97/527175897.db2.gz	CLLUWXKGLOEXPU-NRFANRHFSA-N	1	0	463.494	3.081	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102886851	535509048	/nfs/dbraw/zinc/50/90/48/535509048.db2.gz	BFGYGFRSNIACPW-NXLSWJSLSA-N	1	0	496.560	3.326	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102529526	536561583	/nfs/dbraw/zinc/56/15/83/536561583.db2.gz	YZACNDCSSCGYCI-HOGKFDNTSA-N	1	0	454.523	3.091	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102926745	536563312	/nfs/dbraw/zinc/56/33/12/536563312.db2.gz	CENMRLDGGNKQQM-MRJHHRETSA-N	1	0	453.495	3.285	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000008744076	554647114	/nfs/dbraw/zinc/64/71/14/554647114.db2.gz	CNUKQGVHBBQRDA-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000008744100	554647240	/nfs/dbraw/zinc/64/72/40/554647240.db2.gz	VZDPTKWDMRLUSL-MRJHHRETSA-N	1	0	454.523	3.086	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837631	554738614	/nfs/dbraw/zinc/73/86/14/554738614.db2.gz	UTROAOJQMAMUFQ-HFEWCJDKSA-N	1	0	477.521	3.314	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1	ZINC000008914979	554808203	/nfs/dbraw/zinc/80/82/03/554808203.db2.gz	RUUGEAPVNATYJW-YDJIHCHBSA-N	1	0	487.350	3.204	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000008996396	554856997	/nfs/dbraw/zinc/85/69/97/554856997.db2.gz	MIGOLONJMVLOHH-YDJIHCHBSA-N	1	0	474.941	3.349	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c(OC)c1	ZINC000013734219	555605506	/nfs/dbraw/zinc/60/55/06/555605506.db2.gz	JAUJBQLSSJOLAJ-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020100932	555633786	/nfs/dbraw/zinc/63/37/86/555633786.db2.gz	YIKAYMXQBQLPHA-HXUWFJFHSA-N	1	0	468.466	3.423	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020150096	555666369	/nfs/dbraw/zinc/66/63/69/555666369.db2.gz	SQRZZJZTYRWDDA-OAQYLSRUSA-N	1	0	452.507	3.012	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccncc2)c1C	ZINC000020193278	555694591	/nfs/dbraw/zinc/69/45/91/555694591.db2.gz	KULMDBCRKWTAGI-OAQYLSRUSA-N	1	0	468.554	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000020219554	555714832	/nfs/dbraw/zinc/71/48/32/555714832.db2.gz	BVACJDMXTCZMLF-NRFANRHFSA-N	1	0	469.538	3.028	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020219710	555715581	/nfs/dbraw/zinc/71/55/81/555715581.db2.gz	JBIOJJBUQLNBSJ-OAQYLSRUSA-N	1	0	498.536	3.246	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2O)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020310573	555769172	/nfs/dbraw/zinc/76/91/72/555769172.db2.gz	VPNHAZOKQQSTRR-JOCHJYFZSA-N	1	0	466.534	3.407	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020332287	555777242	/nfs/dbraw/zinc/77/72/42/555777242.db2.gz	WOQDJOGNQKGEIN-HSZRJFAPSA-N	1	0	494.544	3.165	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000022942218	555992851	/nfs/dbraw/zinc/99/28/51/555992851.db2.gz	ACRVGYBREMVTQN-NRFANRHFSA-N	1	0	490.387	3.486	50	30		JGEARO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000012804316	556114539	/nfs/dbraw/zinc/11/45/39/556114539.db2.gz	UVRZOCXGWBJRNU-UHFFFAOYSA-N	1	0	456.616	3.032	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1C	ZINC000024192897	556125787	/nfs/dbraw/zinc/12/57/87/556125787.db2.gz	FHLOPVYEHZPCBK-NDEPHWFRSA-N	1	0	489.572	3.220	50	30		JGEARO
COc1ccc(CC[N@H+](C)CC(=O)N(C)[C@@](C)(C#N)c2ccc(OC)c(OC)c2)cc1OC	ZINC000025560851	556221518	/nfs/dbraw/zinc/22/15/18/556221518.db2.gz	FYWWSGJTIMIHRV-VWLOTQADSA-N	1	0	455.555	3.093	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000017145836	556225975	/nfs/dbraw/zinc/22/59/75/556225975.db2.gz	RXZVIOIPJZMZGL-XMMPIXPASA-N	1	0	490.560	3.338	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000017180560	556234613	/nfs/dbraw/zinc/23/46/13/556234613.db2.gz	QNRATWNBNFUAQD-QFIPXVFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@H]1c1cccnc1	ZINC000013124731	556340547	/nfs/dbraw/zinc/34/05/47/556340547.db2.gz	XABGIUWFIXYGKW-HSZRJFAPSA-N	1	0	459.550	3.496	50	30		JGEARO
COc1cccc([C@H](CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[NH+](C)C)c1	ZINC000028840870	556342489	/nfs/dbraw/zinc/34/24/89/556342489.db2.gz	QDFMGUHPUCGMDE-NRFANRHFSA-N	1	0	463.538	3.450	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000013127248	556343082	/nfs/dbraw/zinc/34/30/82/556343082.db2.gz	ZSFNZWLBWIWGQV-JOCHJYFZSA-N	1	0	454.523	3.330	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccccc1	ZINC000013127542	556343839	/nfs/dbraw/zinc/34/38/39/556343839.db2.gz	SEYKVCIOOWVCLD-NRFANRHFSA-N	1	0	453.539	3.338	50	30		JGEARO
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000064838301	569637058	/nfs/dbraw/zinc/63/70/58/569637058.db2.gz	ZGBJVVXWOLZBLX-UHFFFAOYSA-N	1	0	461.591	3.229	50	30		JGEARO
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)NCC[NH+]2CCCCC2)c1	ZINC000064838352	569637118	/nfs/dbraw/zinc/63/71/18/569637118.db2.gz	TVCHZOWLHVYMND-UHFFFAOYSA-N	1	0	461.591	3.229	50	30		JGEARO
C=CCn1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000035446583	569695981	/nfs/dbraw/zinc/69/59/81/569695981.db2.gz	HLSLAEFWJBKLIY-UHFFFAOYSA-N	1	0	480.634	3.472	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102931396	569828358	/nfs/dbraw/zinc/82/83/58/569828358.db2.gz	FAQNBAZPOJPMQT-OBVHCKHUSA-N	1	0	471.529	3.321	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(O)c1	ZINC000102932434	569828738	/nfs/dbraw/zinc/82/87/38/569828738.db2.gz	RGHJXEPUFOXCIQ-FIMCBBJJSA-N	1	0	450.535	3.479	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(O)c1	ZINC000102932437	569828771	/nfs/dbraw/zinc/82/87/71/569828771.db2.gz	RGHJXEPUFOXCIQ-XTNNDJGYSA-N	1	0	450.535	3.479	50	30		JGEARO
C=CCN1C(=S)S[C@@]2(C1=O)[C@H](c1cccs1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000227249795	570040111	/nfs/dbraw/zinc/04/01/11/570040111.db2.gz	KRPQOPDMBHSFMP-PBNUPURSSA-N	1	0	485.656	3.443	50	30		JGEARO
C=CCOC[C@H](O)CN(CC=C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1	ZINC000245326175	570064714	/nfs/dbraw/zinc/06/47/14/570064714.db2.gz	DTCPDBPUJGTJKO-NFBKMPQASA-N	1	0	474.598	3.444	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1	ZINC000245326649	570064926	/nfs/dbraw/zinc/06/49/26/570064926.db2.gz	GRFHHHOFHXVAMO-XUZZJYLKSA-N	1	0	486.609	3.115	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1	ZINC000245327926	570065526	/nfs/dbraw/zinc/06/55/26/570065526.db2.gz	LPEOKWCSDYXJPY-XUZZJYLKSA-N	1	0	486.609	3.115	50	30		JGEARO
CCN(CC)c1ccc(C=[NH+]N/C=C2\c3ccc(C4=NNC(=O)CC4)cc3N(CC)C2=O)cc1	ZINC000252625230	570088194	/nfs/dbraw/zinc/08/81/94/570088194.db2.gz	QFRUZJVNXDQAAP-XLFJUQHNSA-N	1	0	458.566	3.478	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009043583	124011311	/nfs/dbraw/zinc/01/13/11/124011311.db2.gz	RHERCGCITLBEIL-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000004039418	194371828	/nfs/dbraw/zinc/37/18/28/194371828.db2.gz	LJPDIYPSIKDJHF-QFIPXVFZSA-N	1	0	481.549	3.123	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000102499776	130153463	/nfs/dbraw/zinc/15/34/63/130153463.db2.gz	GZMIGQJFRBDLQB-HOGKFDNTSA-N	1	0	475.505	3.072	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102533398	130186976	/nfs/dbraw/zinc/18/69/76/130186976.db2.gz	XNGYFZKVICOKIS-LFVOPCPISA-N	1	0	459.568	3.151	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102533640	130187445	/nfs/dbraw/zinc/18/74/45/130187445.db2.gz	RRUAODDKPHGHRF-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102562894	130210752	/nfs/dbraw/zinc/21/07/52/130210752.db2.gz	ZMXWEIFBEAYSDJ-AYWGPLOBSA-N	1	0	468.550	3.474	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Br)c1	ZINC000102695214	130241550	/nfs/dbraw/zinc/24/15/50/130241550.db2.gz	DFOFVHLVWYUDBN-YDJIHCHBSA-N	1	0	487.350	3.204	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102698054	130244470	/nfs/dbraw/zinc/24/44/70/130244470.db2.gz	GKADESAEBYDJHZ-HOGKFDNTSA-N	1	0	468.550	3.394	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102711687	130258207	/nfs/dbraw/zinc/25/82/07/130258207.db2.gz	CNUKQGVHBBQRDA-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102718895	130264674	/nfs/dbraw/zinc/26/46/74/130264674.db2.gz	VAGWLOMKRGCMPO-AYWGPLOBSA-N	1	0	498.576	3.485	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102727135	130271705	/nfs/dbraw/zinc/27/17/05/130271705.db2.gz	HYYLCYJSVLFUAO-LFVOPCPISA-N	1	0	489.366	3.450	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102731321	130275262	/nfs/dbraw/zinc/27/52/62/130275262.db2.gz	ZMPASAVHQVXWHP-NHFXJNLRSA-N	1	0	458.511	3.069	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102749426	130289127	/nfs/dbraw/zinc/28/91/27/130289127.db2.gz	QYMDUYYTYPWUKQ-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(OC(C)C)c1	ZINC000102750930	130290159	/nfs/dbraw/zinc/29/01/59/130290159.db2.gz	XJNSBOWNXURNBK-HOGKFDNTSA-N	1	0	454.571	3.198	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(OC(C)C)c1	ZINC000102750928	130290421	/nfs/dbraw/zinc/29/04/21/130290421.db2.gz	XJNSBOWNXURNBK-MOBKVPTQSA-N	1	0	454.571	3.198	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102878316	130352038	/nfs/dbraw/zinc/35/20/38/130352038.db2.gz	SLPYZUQOTWFPRK-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000102878280	130352103	/nfs/dbraw/zinc/35/21/03/130352103.db2.gz	KQZRORIAIMJNAU-LFVOPCPISA-N	1	0	459.568	3.151	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102883767	130364450	/nfs/dbraw/zinc/36/44/50/130364450.db2.gz	UXTLKAUJNBNMJF-AYWGPLOBSA-N	1	0	498.576	3.485	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000102891466	130373321	/nfs/dbraw/zinc/37/33/21/130373321.db2.gz	YHOHOXJNAZMSLI-ZHHPLPSFSA-N	1	0	468.550	3.419	50	30		JGEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C	ZINC000036309778	518307604	/nfs/dbraw/zinc/30/76/04/518307604.db2.gz	LFOUHPWFIQFJPN-OFNKIYASSA-N	1	0	474.598	3.113	50	30		JGEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C1CC1	ZINC000036308916	518308387	/nfs/dbraw/zinc/30/83/87/518308387.db2.gz	ULNLPZNHMKNNGD-OFNKIYASSA-N	1	0	489.037	3.381	50	30		JGEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1ccccc1)C[N@@H+](C)[C@]21c2cc(OC)ccc2N(C)C1=O	ZINC000043732556	518849675	/nfs/dbraw/zinc/84/96/75/518849675.db2.gz	WIXGEDWAWMYIHU-BTZRARBUSA-N	1	0	479.627	3.381	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1	ZINC000036310035	518980551	/nfs/dbraw/zinc/98/05/51/518980551.db2.gz	LCIQZVVHSTZSFY-RDPSFJRHSA-N	1	0	486.634	3.289	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1	ZINC000036310033	518981925	/nfs/dbraw/zinc/98/19/25/518981925.db2.gz	LCIQZVVHSTZSFY-GBXCKJPGSA-N	1	0	486.634	3.289	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309036	518992286	/nfs/dbraw/zinc/99/22/86/518992286.db2.gz	PKRMEVGNKQBCDT-QPPBQGQZSA-N	1	0	488.650	3.155	50	30		JGEARO
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009312517	519046104	/nfs/dbraw/zinc/04/61/04/519046104.db2.gz	MFXRYHDSTPFYNW-AYWGPLOBSA-N	1	0	464.518	3.006	50	30		JGEARO
C=CCn1c(=O)c(=O)n(CC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc21	ZINC000033268750	519152296	/nfs/dbraw/zinc/15/22/96/519152296.db2.gz	VDAMREGKEOXXHN-UHFFFAOYSA-N	1	0	480.996	3.031	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000022802041	519778499	/nfs/dbraw/zinc/77/84/99/519778499.db2.gz	ZACGBXJDLGEHLO-HSZRJFAPSA-N	1	0	467.541	3.096	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccco1	ZINC000009274937	520596214	/nfs/dbraw/zinc/59/62/14/520596214.db2.gz	YJPNCCPJNPXGCR-ASBZNUFUSA-N	1	0	457.527	3.165	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1	ZINC000020149913	520600341	/nfs/dbraw/zinc/60/03/41/520600341.db2.gz	IBMVCXBJZPSWKK-OAQYLSRUSA-N	1	0	468.554	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)cc1	ZINC000016730931	520655870	/nfs/dbraw/zinc/65/58/70/520655870.db2.gz	QMVDOISJDRZOMN-QFIPXVFZSA-N	1	0	454.523	3.330	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)cc1	ZINC000016730934	520657706	/nfs/dbraw/zinc/65/77/06/520657706.db2.gz	QMVDOISJDRZOMN-JOCHJYFZSA-N	1	0	454.523	3.330	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000009334548	521234086	/nfs/dbraw/zinc/23/40/86/521234086.db2.gz	UYVWSSDAFAWGSY-SBXHHDGASA-N	1	0	496.560	3.239	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000009178393	521359499	/nfs/dbraw/zinc/35/94/99/521359499.db2.gz	ZYENTYVYEBVMOK-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000009174608	521360351	/nfs/dbraw/zinc/36/03/51/521360351.db2.gz	GJVVPRCRDUVWAR-OAQYLSRUSA-N	1	0	471.529	3.477	50	30		JGEARO
CCOc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000016741934	521590537	/nfs/dbraw/zinc/59/05/37/521590537.db2.gz	ITBZLMPZJKFFQU-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
CC[NH+]1CCN(CN2C(=O)/C(=N\NC(=S)Nc3cccc(Cl)c3C)c3ccccc32)CC1	ZINC000020685406	521685023	/nfs/dbraw/zinc/68/50/23/521685023.db2.gz	KDSGNEWPLRWDGN-QLYXXIJNSA-N	1	0	471.030	3.281	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000009357607	522918484	/nfs/dbraw/zinc/91/84/84/522918484.db2.gz	NMTAEKLGDCGKJN-JOCHJYFZSA-N	1	0	454.523	3.328	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000016735076	522954187	/nfs/dbraw/zinc/95/41/87/522954187.db2.gz	IGRVDCVTTMGXMO-CMJOXMDJSA-N	1	0	496.560	3.176	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000009046366	523374706	/nfs/dbraw/zinc/37/47/06/523374706.db2.gz	BAGGMFPMCAJGIJ-JBCNATCCSA-N	1	0	474.941	3.349	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000009270761	523553057	/nfs/dbraw/zinc/55/30/57/523553057.db2.gz	FHMVEUBTZROZNV-QFIPXVFZSA-N	1	0	454.523	3.248	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000012467665	523554742	/nfs/dbraw/zinc/55/47/42/523554742.db2.gz	JIUFUTDRZCZYSC-QFIPXVFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000009042805	523557304	/nfs/dbraw/zinc/55/73/04/523557304.db2.gz	DYVHHNWCBGWTHT-QFIPXVFZSA-N	1	0	454.523	3.161	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c1C	ZINC000009271308	524021421	/nfs/dbraw/zinc/02/14/21/524021421.db2.gz	RCYIGAMTVKHWLA-FQEVSTJZSA-N	1	0	457.502	3.087	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c1C	ZINC000009070728	524021471	/nfs/dbraw/zinc/02/14/71/524021471.db2.gz	XWWRQXYFDNSLPK-LJQANCHMSA-N	1	0	459.930	3.211	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000009185070	524112639	/nfs/dbraw/zinc/11/26/39/524112639.db2.gz	OHTMGUPELNQSSG-GOSISDBHSA-N	1	0	459.568	3.307	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009069025	524890392	/nfs/dbraw/zinc/89/03/92/524890392.db2.gz	JEAPAEQZDRYMQJ-LJQANCHMSA-N	1	0	459.568	3.307	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009271641	525213757	/nfs/dbraw/zinc/21/37/57/525213757.db2.gz	GGTSVKJMHOWQPU-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009042704	525387883	/nfs/dbraw/zinc/38/78/83/525387883.db2.gz	NQCFJOOLXISKSZ-QFIPXVFZSA-N	1	0	478.549	3.108	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009274139	525392766	/nfs/dbraw/zinc/39/27/66/525392766.db2.gz	XKSWQIDORWWUAZ-QHCPKHFHSA-N	1	0	460.534	3.329	50	30		JGEARO
Cc1c(CCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc[n+]1CC(=O)c1ccccc1	ZINC000013305574	525702398	/nfs/dbraw/zinc/70/23/98/525702398.db2.gz	DCQGGUGPHJXAOY-UHFFFAOYSA-N	1	0	456.456	3.443	50	30		JGEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009045732	527176502	/nfs/dbraw/zinc/17/65/02/527176502.db2.gz	FWPUUTOSBLGICZ-OAQYLSRUSA-N	1	0	463.494	3.081	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(OC)c1	ZINC000102886849	535509384	/nfs/dbraw/zinc/50/93/84/535509384.db2.gz	BFGYGFRSNIACPW-SBXHHDGASA-N	1	0	496.560	3.326	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102926747	536561945	/nfs/dbraw/zinc/56/19/45/536561945.db2.gz	CENMRLDGGNKQQM-JBCNATCCSA-N	1	0	453.495	3.285	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008837865	554739088	/nfs/dbraw/zinc/73/90/88/554739088.db2.gz	VQILHUMYSIJNCL-IAMBOQNYSA-N	1	0	477.521	3.314	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000008838204	554739631	/nfs/dbraw/zinc/73/96/31/554739631.db2.gz	LMSIXBBHWMTJHU-QFIPXVFZSA-N	1	0	478.549	3.190	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000008896797	554786861	/nfs/dbraw/zinc/78/68/61/554786861.db2.gz	NEGZWJUITQZGGU-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000008996397	554856882	/nfs/dbraw/zinc/85/68/82/554856882.db2.gz	MIGOLONJMVLOHH-NHFXJNLRSA-N	1	0	474.941	3.349	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009007973	554861899	/nfs/dbraw/zinc/86/18/99/554861899.db2.gz	DSETWFAQDSHDDQ-MOBKVPTQSA-N	1	0	450.491	3.433	50	30		JGEARO
CC(C)CCn1cc[n+](C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1	ZINC000013496731	555412282	/nfs/dbraw/zinc/41/22/82/555412282.db2.gz	OYDCHMZVJGLEJZ-UHFFFAOYSA-O	1	0	450.540	3.048	50	30		JGEARO
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2)cc1	ZINC000009752446	555483656	/nfs/dbraw/zinc/48/36/56/555483656.db2.gz	SBNJXDQSFGUZKW-UHFFFAOYSA-N	1	0	472.655	3.264	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000013550815	555491594	/nfs/dbraw/zinc/49/15/94/555491594.db2.gz	KCFJLEXFCSZRMS-OAQYLSRUSA-N	1	0	454.523	3.242	50	30		JGEARO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCCC3)[C@H]2c2ccccc2)cc1	ZINC000013569109	555507570	/nfs/dbraw/zinc/50/75/70/555507570.db2.gz	JSCGIQSDFKGWRP-QHCPKHFHSA-N	1	0	497.617	3.001	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(Br)c1	ZINC000019880084	555525063	/nfs/dbraw/zinc/52/50/63/555525063.db2.gz	ACFQFIVZXSGQFW-LJQANCHMSA-N	1	0	473.323	3.318	50	30		JGEARO
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CCC[NH+](C)C)c4ncn3n2)cc1OC	ZINC000013607946	555532035	/nfs/dbraw/zinc/53/20/35/555532035.db2.gz	WHVIVNZNDMZVSA-LGJNPRDNSA-N	1	0	465.558	3.215	50	30		JGEARO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019911364	555537810	/nfs/dbraw/zinc/53/78/10/555537810.db2.gz	HPWWRKBBEDCROG-HSZRJFAPSA-N	1	0	464.518	3.163	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000020150014	555666062	/nfs/dbraw/zinc/66/60/62/555666062.db2.gz	BZOZWYDQRJDCQW-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020150095	555666399	/nfs/dbraw/zinc/66/63/99/555666399.db2.gz	SQRZZJZTYRWDDA-NRFANRHFSA-N	1	0	452.507	3.012	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020171200	555680762	/nfs/dbraw/zinc/68/07/62/555680762.db2.gz	YQKKGGACCCTHDV-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1ccncc1	ZINC000020192986	555693892	/nfs/dbraw/zinc/69/38/92/555693892.db2.gz	PZSVPPMIRGGJRT-QHCPKHFHSA-N	1	0	459.550	3.496	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000020193054	555693929	/nfs/dbraw/zinc/69/39/29/555693929.db2.gz	FZQFFFWBBNAQHM-JOCHJYFZSA-N	1	0	482.533	3.005	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020193097	555694350	/nfs/dbraw/zinc/69/43/50/555694350.db2.gz	WMGVVAMKOCDUQY-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccn2)c1C	ZINC000020193272	555694570	/nfs/dbraw/zinc/69/45/70/555694570.db2.gz	STFKRVIOYJWOPC-OAQYLSRUSA-N	1	0	468.554	3.123	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000020219338	555713720	/nfs/dbraw/zinc/71/37/20/555713720.db2.gz	UAEITSMCKNXLER-XMMPIXPASA-N	1	0	496.560	3.395	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219545	555714796	/nfs/dbraw/zinc/71/47/96/555714796.db2.gz	AHTITCOJLRXJKF-QFIPXVFZSA-N	1	0	462.550	3.490	50	30		JGEARO
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020229106	555719856	/nfs/dbraw/zinc/71/98/56/555719856.db2.gz	MTNCHMVOXIZPAQ-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020234288	555725904	/nfs/dbraw/zinc/72/59/04/555725904.db2.gz	BXYSJOUTSKZXFD-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccnc1	ZINC000020292883	555762186	/nfs/dbraw/zinc/76/21/86/555762186.db2.gz	INKRYYZVXVSRHO-JOCHJYFZSA-N	1	0	451.523	3.163	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020332282	555777174	/nfs/dbraw/zinc/77/71/74/555777174.db2.gz	WOQDJOGNQKGEIN-QHCPKHFHSA-N	1	0	494.544	3.165	50	30		JGEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020352252	555780195	/nfs/dbraw/zinc/78/01/95/555780195.db2.gz	XOWMPOFWFILYHM-YMGMXPECSA-N	1	0	489.572	3.061	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024147427	556123742	/nfs/dbraw/zinc/12/37/42/556123742.db2.gz	VWGRFKDJHLXOMI-MHZLTWQESA-N	1	0	477.561	3.136	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(CC)C3=O)cc1	ZINC000024147850	556124028	/nfs/dbraw/zinc/12/40/28/556124028.db2.gz	IPLJFUMOONDSNM-MUUNZHRXSA-N	1	0	489.572	3.302	50	30		JGEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024193089	556126343	/nfs/dbraw/zinc/12/63/43/556126343.db2.gz	FNARNULUIXCBAL-MHZLTWQESA-N	1	0	477.561	3.054	50	30		JGEARO
COc1ccccc1[C@@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CC[NH+](C)C	ZINC000016945442	556182830	/nfs/dbraw/zinc/18/28/30/556182830.db2.gz	LZOPWGVBULFLJB-HSZRJFAPSA-N	1	0	460.534	3.329	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000016946151	556183243	/nfs/dbraw/zinc/18/32/43/556183243.db2.gz	HCFQANOUNFNAJJ-XMMPIXPASA-N	1	0	490.560	3.338	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)C1=O	ZINC000017167297	556230419	/nfs/dbraw/zinc/23/04/19/556230419.db2.gz	FCXAHKJGOQUZIQ-QHYAIYAISA-N	1	0	480.362	3.365	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000019309179	556339349	/nfs/dbraw/zinc/33/93/49/556339349.db2.gz	WMUPBVXWRUMGSC-AREMUKBSSA-N	1	0	465.525	3.267	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@@H]1c1cccnc1	ZINC000013124730	556340563	/nfs/dbraw/zinc/34/05/63/556340563.db2.gz	XABGIUWFIXYGKW-QHCPKHFHSA-N	1	0	459.550	3.496	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000013127281	556343092	/nfs/dbraw/zinc/34/30/92/556343092.db2.gz	JDLYBXQGVBJVIS-HHHXNRCGSA-N	1	0	477.561	3.136	50	30		JGEARO
COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000057063738	563206514	/nfs/dbraw/zinc/20/65/14/563206514.db2.gz	ISBKJDDIANGRKM-TZIWHRDSSA-N	1	0	459.550	3.137	50	30		JGEARO
CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](CC)CC2)SC1=S	ZINC000034871754	569668452	/nfs/dbraw/zinc/66/84/52/569668452.db2.gz	BBPSQKZLVSQGFN-HMMYKYKNSA-N	1	0	487.695	3.489	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000101254327	569788187	/nfs/dbraw/zinc/78/81/87/569788187.db2.gz	DYHKMQFNXQPTCP-LYJWTBIJSA-N	1	0	485.540	3.493	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102595755	569814426	/nfs/dbraw/zinc/81/44/26/569814426.db2.gz	WWCKRNXZCKFJOO-NHFXJNLRSA-N	1	0	468.466	3.267	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000102857318	569824475	/nfs/dbraw/zinc/82/44/75/569824475.db2.gz	RCDRZEKPDFQYNA-HOGKFDNTSA-N	1	0	454.523	3.004	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000102857314	569824605	/nfs/dbraw/zinc/82/46/05/569824605.db2.gz	RCDRZEKPDFQYNA-MOBKVPTQSA-N	1	0	454.523	3.004	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000102931678	569828663	/nfs/dbraw/zinc/82/86/63/569828663.db2.gz	UOOHJVSHMDKYFA-HOGKFDNTSA-N	1	0	483.521	3.376	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000103926503	569839456	/nfs/dbraw/zinc/83/94/56/569839456.db2.gz	UPLMJIXLIALZCW-HOGKFDNTSA-N	1	0	454.523	3.004	50	30		JGEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C	ZINC000105004255	569849679	/nfs/dbraw/zinc/84/96/79/569849679.db2.gz	ZAMGELGGVNXPMM-QPPBQGQZSA-N	1	0	470.635	3.282	50	30		JGEARO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217609333	569880572	/nfs/dbraw/zinc/88/05/72/569880572.db2.gz	LJQKSAIRVJCXHL-POTDMOMCSA-N	1	0	475.614	3.331	50	30		JGEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccccc2OC)OCO3)C1	ZINC000252441075	570080493	/nfs/dbraw/zinc/08/04/93/570080493.db2.gz	DLCGTRRSJFARFD-ZMXFDXOUSA-N	1	0	454.499	3.004	50	30		JGEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cccc(OC)c2OC)OCO3)C1	ZINC000252441242	570080521	/nfs/dbraw/zinc/08/05/21/570080521.db2.gz	LULUNCWNMKVNJG-NRXURXQESA-N	1	0	484.525	3.013	50	30		JGEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO3)C1	ZINC000253390425	570095750	/nfs/dbraw/zinc/09/57/50/570095750.db2.gz	HYDBVERIPJGJBI-PMHUYKBPSA-N	1	0	484.525	3.013	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000102867295	535004434	/nfs/dbraw/zinc/00/44/34/535004434.db2.gz	MVAAGKDYUFMJMU-FSLHIAPTSA-N	1	0	473.529	3.327	50	30		JGEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Br)cc1	ZINC000102491735	130145747	/nfs/dbraw/zinc/14/57/47/130145747.db2.gz	XSVVSDIMYJEWQF-ASBZNUFUSA-N	1	0	483.366	3.389	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000102500195	130153919	/nfs/dbraw/zinc/15/39/19/130153919.db2.gz	YCIQMJYMBMAHGG-MOBKVPTQSA-N	1	0	475.505	3.072	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102527053	130179628	/nfs/dbraw/zinc/17/96/28/130179628.db2.gz	IBCSRTXPCANNKW-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000102533670	130187357	/nfs/dbraw/zinc/18/73/57/130187357.db2.gz	KDCIXVNMJKBQCD-ASBZNUFUSA-N	1	0	473.957	3.445	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102535094	130189717	/nfs/dbraw/zinc/18/97/17/130189717.db2.gz	AIOUCPAKLXVZIR-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000102697146	130243476	/nfs/dbraw/zinc/24/34/76/130243476.db2.gz	LZZMAVFOKYCRTN-ZHHPLPSFSA-N	1	0	498.576	3.483	50	30		JGEARO
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102726560	130271243	/nfs/dbraw/zinc/27/12/43/130271243.db2.gz	XDLRVNIPLXSKME-ZHHPLPSFSA-N	1	0	466.534	3.230	50	30		JGEARO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000102735172	130279806	/nfs/dbraw/zinc/27/98/06/130279806.db2.gz	XSPWNSRWSILMQJ-WZLGSTDNSA-N	1	0	463.578	3.449	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102739779	130284648	/nfs/dbraw/zinc/28/46/48/130284648.db2.gz	DUGPHTMDQAAJBL-SELCWUDQSA-N	1	0	451.354	3.327	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(OC(C)C)cc1	ZINC000102746678	130288080	/nfs/dbraw/zinc/28/80/80/130288080.db2.gz	QMWOKXSHPMKWNA-MOBKVPTQSA-N	1	0	454.571	3.198	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C)o1	ZINC000102860275	130331051	/nfs/dbraw/zinc/33/10/51/130331051.db2.gz	JGNHEZWGTXYCEW-QOJBNDRUSA-N	1	0	457.527	3.083	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccc(OC)c1	ZINC000102877837	130351642	/nfs/dbraw/zinc/35/16/42/130351642.db2.gz	WFMUYYCEMUDECE-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c1C	ZINC000102877795	130351745	/nfs/dbraw/zinc/35/17/45/130351745.db2.gz	MQAYAGPRVUXHMR-ZMESVYRVSA-N	1	0	459.568	3.243	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C1CC1	ZINC000036309481	518296847	/nfs/dbraw/zinc/29/68/47/518296847.db2.gz	SYXUAWAYZRJXFY-XUZZJYLKSA-N	1	0	468.619	3.036	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1	ZINC000036309124	518298274	/nfs/dbraw/zinc/29/82/74/518298274.db2.gz	DIQGBFQZMLIWAW-URXFXBBRSA-N	1	0	468.619	3.036	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1	ZINC000036305341	518299273	/nfs/dbraw/zinc/29/92/73/518299273.db2.gz	VKLGCWVPOQJVGT-QFIPXVFZSA-N	1	0	479.577	3.347	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1	ZINC000036305344	518308838	/nfs/dbraw/zinc/30/88/38/518308838.db2.gz	VKLGCWVPOQJVGT-JOCHJYFZSA-N	1	0	479.577	3.347	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036306962	518309154	/nfs/dbraw/zinc/30/91/54/518309154.db2.gz	GQOCBWWCLLCNJA-JOCHJYFZSA-N	1	0	467.541	3.478	50	30		JGEARO
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009354202	519060485	/nfs/dbraw/zinc/06/04/85/519060485.db2.gz	GSKUFCLRKMLHHQ-NXLSWJSLSA-N	1	0	478.545	3.396	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000014749680	519286502	/nfs/dbraw/zinc/28/65/02/519286502.db2.gz	YJIXDFGOARLZAB-XMMPIXPASA-N	1	0	461.654	3.269	50	30		JGEARO
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+]([C@@H](C)CCn3cccn3)CC2)C1=O	ZINC000012218592	519340231	/nfs/dbraw/zinc/34/02/31/519340231.db2.gz	BOVOIARPIQDLGB-FNZWTVRRSA-N	1	0	465.573	3.069	50	30		JGEARO
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+]([C@H](C)Cc3ccccn3)CC2)C1=O	ZINC000011791078	519342743	/nfs/dbraw/zinc/34/27/43/519342743.db2.gz	UUIABLIMBOIJKK-NFQMXDRXSA-N	1	0	462.569	3.420	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009066646	520431166	/nfs/dbraw/zinc/43/11/66/520431166.db2.gz	ROANBXKGUDRDOW-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009357777	520431259	/nfs/dbraw/zinc/43/12/59/520431259.db2.gz	BSWXHDYTEYTDQV-AYWGPLOBSA-N	1	0	466.534	3.230	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000009241533	520653354	/nfs/dbraw/zinc/65/33/54/520653354.db2.gz	FMIDDWSEDZWOCF-MRJHHRETSA-N	1	0	469.494	3.073	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000009271232	520654119	/nfs/dbraw/zinc/65/41/19/520654119.db2.gz	UAHRVRMYSUOOGJ-WOOAAIBNSA-N	1	0	471.579	3.310	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009312726	521233594	/nfs/dbraw/zinc/23/35/94/521233594.db2.gz	SSZCWXFLVOBMJC-ZHHPLPSFSA-N	1	0	466.534	3.230	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000009178389	521360282	/nfs/dbraw/zinc/36/02/82/521360282.db2.gz	ZYENTYVYEBVMOK-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c1C	ZINC000009271271	521360727	/nfs/dbraw/zinc/36/07/27/521360727.db2.gz	JNRYOZFKFYOUKA-NRFANRHFSA-N	1	0	453.539	3.338	50	30		JGEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009244299	521414758	/nfs/dbraw/zinc/41/47/58/521414758.db2.gz	XVMODKPDUQNFEA-LEQIOXTRSA-N	1	0	450.535	3.392	50	30		JGEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000009329157	521731157	/nfs/dbraw/zinc/73/11/57/521731157.db2.gz	NKZUSWOGQKHUJX-OAWJJLAXSA-N	1	0	473.529	3.327	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009177724	522172359	/nfs/dbraw/zinc/17/23/59/522172359.db2.gz	DIPKDXCXKNXNNT-QFIPXVFZSA-N	1	0	490.560	3.268	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1F	ZINC000016265255	523551535	/nfs/dbraw/zinc/55/15/35/523551535.db2.gz	ZZISQHWOSRDLHI-OAQYLSRUSA-N	1	0	458.486	3.079	50	30		JGEARO
CN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000022575083	524055016	/nfs/dbraw/zinc/05/50/16/524055016.db2.gz	OFKPLTXDFYBXFD-XMMPIXPASA-N	1	0	453.926	3.001	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009237132	524908069	/nfs/dbraw/zinc/90/80/69/524908069.db2.gz	AZDFXIPFTYHFRM-MOBKVPTQSA-N	1	0	480.517	3.442	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009042706	525217701	/nfs/dbraw/zinc/21/77/01/525217701.db2.gz	NQCFJOOLXISKSZ-JOCHJYFZSA-N	1	0	478.549	3.108	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000009186816	525553278	/nfs/dbraw/zinc/55/32/78/525553278.db2.gz	JSYONGGTTDKCII-JOCHJYFZSA-N	1	0	475.505	3.229	50	30		JGEARO
N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	ZINC000016060093	526748766	/nfs/dbraw/zinc/74/87/66/526748766.db2.gz	UJOMOKGSANAPHR-UHFFFAOYSA-N	1	0	472.655	3.264	50	30		JGEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009045728	527175994	/nfs/dbraw/zinc/17/59/94/527175994.db2.gz	FWPUUTOSBLGICZ-NRFANRHFSA-N	1	0	463.494	3.081	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccn1	ZINC000102690556	535507152	/nfs/dbraw/zinc/50/71/52/535507152.db2.gz	XNBGYZWEFHINRN-HOGKFDNTSA-N	1	0	453.539	3.252	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000102886246	535509173	/nfs/dbraw/zinc/50/91/73/535509173.db2.gz	PXXDEQVOKQCFAB-ZHHPLPSFSA-N	1	0	466.534	3.317	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccnc1	ZINC000102563378	535509642	/nfs/dbraw/zinc/50/96/42/535509642.db2.gz	PHOSBOUDAQZKHJ-HOGKFDNTSA-N	1	0	451.523	3.006	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000102535806	535688042	/nfs/dbraw/zinc/68/80/42/535688042.db2.gz	BLVGBIANYRCDCD-ZHHPLPSFSA-N	1	0	468.550	3.481	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000102864358	536562343	/nfs/dbraw/zinc/56/23/43/536562343.db2.gz	LCANNIVZPWTZMC-ZHHPLPSFSA-N	1	0	498.576	3.403	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102697277	536566180	/nfs/dbraw/zinc/56/61/80/536566180.db2.gz	JIDOZDHDSBKOLR-SBXHHDGASA-N	1	0	477.605	3.320	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008740620	554642586	/nfs/dbraw/zinc/64/25/86/554642586.db2.gz	XLTFWRRZGRLING-DEOSSOPVSA-N	1	0	496.560	3.013	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000008837237	554737884	/nfs/dbraw/zinc/73/78/84/554737884.db2.gz	OAHCAMUQWUQXNT-HOGKFDNTSA-N	1	0	450.491	3.433	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)c1C	ZINC000008838072	554739364	/nfs/dbraw/zinc/73/93/64/554739364.db2.gz	UWPKQVYAHSEIBS-FQEVSTJZSA-N	1	0	457.502	3.087	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1OC	ZINC000008918335	554814819	/nfs/dbraw/zinc/81/48/19/554814819.db2.gz	ODXRMYXJGOGYEL-WVHFFXRNSA-N	1	0	473.610	3.415	50	30	biogenic	JGEARO
CC(=O)c1ccc(NC(=O)CSc2nc(N3CC[NH2+]CC3)c3c(c2C#N)CC(C)(C)OC3)cc1	ZINC000008991612	554852919	/nfs/dbraw/zinc/85/29/19/554852919.db2.gz	QCPUIXDKSKORBO-UHFFFAOYSA-N	1	0	479.606	3.148	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009007501	554860594	/nfs/dbraw/zinc/86/05/94/554860594.db2.gz	MDAHUTJIQQVVKZ-IAMBOQNYSA-N	1	0	462.550	3.333	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000019929371	555546572	/nfs/dbraw/zinc/54/65/72/555546572.db2.gz	YVAIAENQMJEDKZ-OAQYLSRUSA-N	1	0	454.523	3.161	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC(C)C)c2)c(C)n1	ZINC000013683698	555577583	/nfs/dbraw/zinc/57/75/83/555577583.db2.gz	USNNKPBCMULGNR-QFIPXVFZSA-N	1	0	452.555	3.411	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(OC(C)C)c1	ZINC000013719617	555595590	/nfs/dbraw/zinc/59/55/90/555595590.db2.gz	UOIMEWZENAJJAC-JOCHJYFZSA-N	1	0	454.571	3.354	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@H]1c1ccncc1	ZINC000020192988	555693848	/nfs/dbraw/zinc/69/38/48/555693848.db2.gz	PZSVPPMIRGGJRT-HSZRJFAPSA-N	1	0	459.550	3.496	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020193095	555694343	/nfs/dbraw/zinc/69/43/43/555694343.db2.gz	WMGVVAMKOCDUQY-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC	ZINC000020219524	555714818	/nfs/dbraw/zinc/71/48/18/555714818.db2.gz	DBBVJFROIXTSKW-XMMPIXPASA-N	1	0	496.560	3.395	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1C	ZINC000020219702	555715535	/nfs/dbraw/zinc/71/55/35/555715535.db2.gz	NTXHKZVNPXYPGC-NRFANRHFSA-N	1	0	453.539	3.257	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020219709	555715552	/nfs/dbraw/zinc/71/55/52/555715552.db2.gz	JBIOJJBUQLNBSJ-NRFANRHFSA-N	1	0	498.536	3.246	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020229566	555720300	/nfs/dbraw/zinc/72/03/00/555720300.db2.gz	CNMLIKRKUVHAKE-OAQYLSRUSA-N	1	0	451.479	3.300	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)cc1	ZINC000020267610	555748565	/nfs/dbraw/zinc/74/85/65/555748565.db2.gz	XCOQCSKHMPTAEQ-HSZRJFAPSA-N	1	0	466.534	3.474	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000020289573	555760972	/nfs/dbraw/zinc/76/09/72/555760972.db2.gz	UBUSZKMNTKFAPV-DEOSSOPVSA-N	1	0	479.577	3.444	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2O)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020310570	555769315	/nfs/dbraw/zinc/76/93/15/555769315.db2.gz	VPNHAZOKQQSTRR-QFIPXVFZSA-N	1	0	466.534	3.407	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(CC)C3=O)cc1	ZINC000024147408	556123761	/nfs/dbraw/zinc/12/37/61/556123761.db2.gz	XKNLKHOIJIXMSK-HHHXNRCGSA-N	1	0	477.561	3.136	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024147423	556123836	/nfs/dbraw/zinc/12/38/36/556123836.db2.gz	VWGRFKDJHLXOMI-HHHXNRCGSA-N	1	0	477.561	3.136	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147614	556124048	/nfs/dbraw/zinc/12/40/48/556124048.db2.gz	HIUFFCNCYJMNEO-MHZLTWQESA-N	1	0	461.562	3.436	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000017146957	556226355	/nfs/dbraw/zinc/22/63/55/556226355.db2.gz	KLPDMRDLKYNIAW-JOCHJYFZSA-N	1	0	484.549	3.169	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013127276	556343140	/nfs/dbraw/zinc/34/31/40/556343140.db2.gz	URIMHICMOGQZMJ-QFIPXVFZSA-N	1	0	462.550	3.490	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000019792866	556371534	/nfs/dbraw/zinc/37/15/34/556371534.db2.gz	OWJRNQWWFGEPMU-OAQYLSRUSA-N	1	0	469.494	3.229	50	30		JGEARO
COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000057063737	563206511	/nfs/dbraw/zinc/20/65/11/563206511.db2.gz	ISBKJDDIANGRKM-PZJWPPBQSA-N	1	0	459.550	3.137	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000085412831	569710630	/nfs/dbraw/zinc/71/06/30/569710630.db2.gz	ZLWGGCJRTAFDHT-QHCPKHFHSA-N	1	0	496.560	3.395	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1OC	ZINC000085413432	569710708	/nfs/dbraw/zinc/71/07/08/569710708.db2.gz	OAZVMTODXGIVPA-HSZRJFAPSA-N	1	0	480.517	3.107	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2	ZINC000096851290	569743446	/nfs/dbraw/zinc/74/34/46/569743446.db2.gz	DBXUOFHTINJTEI-IBGZPJMESA-N	1	0	479.522	3.262	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000101287050	569789364	/nfs/dbraw/zinc/78/93/64/569789364.db2.gz	QLIHLTOBVKGXFW-ZHHPLPSFSA-N	1	0	466.534	3.252	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1C	ZINC000102863301	569825428	/nfs/dbraw/zinc/82/54/28/569825428.db2.gz	WVRRRGLWGZWMPM-PGVNHDJNSA-N	1	0	453.539	3.100	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102927924	569827051	/nfs/dbraw/zinc/82/70/51/569827051.db2.gz	SBJHMCCSKLNTSL-MRJHHRETSA-N	1	0	453.495	3.285	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000103953482	569839544	/nfs/dbraw/zinc/83/95/44/569839544.db2.gz	NXGHRNSPVDYNIT-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)C1=O	ZINC000169620706	569868371	/nfs/dbraw/zinc/86/83/71/569868371.db2.gz	FCXAHKJGOQUZIQ-CWMLTSOLSA-N	1	0	480.362	3.365	50	30		JGEARO
C=CCN1C(=S)S[C@@]2(C1=O)[C@@H](c1ccccc1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000226818393	570038816	/nfs/dbraw/zinc/03/88/16/570038816.db2.gz	WIXGEDWAWMYIHU-UKDVSSAZSA-N	1	0	479.627	3.381	50	30		JGEARO
C=CCOC[C@H](O)CN(CC=C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1	ZINC000245327053	570065128	/nfs/dbraw/zinc/06/51/28/570065128.db2.gz	IERCBJDKGLRNAO-NFBKMPQASA-N	1	0	474.598	3.444	50	30		JGEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C	ZINC000245327908	570065476	/nfs/dbraw/zinc/06/54/76/570065476.db2.gz	LFOUHPWFIQFJPN-NFBKMPQASA-N	1	0	474.598	3.113	50	30		JGEARO
C=CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1	ZINC000245328356	570065770	/nfs/dbraw/zinc/06/57/70/570065770.db2.gz	NYVQDPNVDHMBKT-NZQKXSOJSA-N	1	0	474.598	3.420	50	30		JGEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1	ZINC000245329635	570066400	/nfs/dbraw/zinc/06/64/00/570066400.db2.gz	ULNLPZNHMKNNGD-NZQKXSOJSA-N	1	0	489.037	3.381	50	30		JGEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO3)C1	ZINC000253390426	570095748	/nfs/dbraw/zinc/09/57/48/570095748.db2.gz	HYDBVERIPJGJBI-WZSLKZGSSA-N	1	0	484.525	3.013	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000009334549	124106377	/nfs/dbraw/zinc/10/63/77/124106377.db2.gz	UYVWSSDAFAWGSY-NXLSWJSLSA-N	1	0	496.560	3.239	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)cc1OC	ZINC000012865485	195161145	/nfs/dbraw/zinc/16/11/45/195161145.db2.gz	ODXRMYXJGOGYEL-BRDHMVIPSA-N	1	0	473.610	3.415	50	30	biogenic	JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102486924	130141225	/nfs/dbraw/zinc/14/12/25/130141225.db2.gz	FACPATDWNIBCQS-MRJHHRETSA-N	1	0	453.495	3.367	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102505753	130160129	/nfs/dbraw/zinc/16/01/29/130160129.db2.gz	VFBPIVHPFKAGDS-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000102525555	130177774	/nfs/dbraw/zinc/17/77/74/130177774.db2.gz	UILRBKNUCFGAAZ-ASBZNUFUSA-N	1	0	473.957	3.445	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102537841	130192840	/nfs/dbraw/zinc/19/28/40/130192840.db2.gz	NTALZCKHIVHKBK-MRJHHRETSA-N	1	0	474.941	3.349	50	30		JGEARO
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102726562	130271231	/nfs/dbraw/zinc/27/12/31/130271231.db2.gz	XDLRVNIPLXSKME-AYWGPLOBSA-N	1	0	466.534	3.230	50	30		JGEARO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000102735176	130279748	/nfs/dbraw/zinc/27/97/48/130279748.db2.gz	XSPWNSRWSILMQJ-IYGWJSLMSA-N	1	0	463.578	3.449	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000102735662	130280041	/nfs/dbraw/zinc/28/00/41/130280041.db2.gz	WBSTYEJNWDVPIY-MOBKVPTQSA-N	1	0	454.523	3.004	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102749430	130289133	/nfs/dbraw/zinc/28/91/33/130289133.db2.gz	QYMDUYYTYPWUKQ-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
CCOC(=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	ZINC000102862509	130334457	/nfs/dbraw/zinc/33/44/57/130334457.db2.gz	ZSTCNVABCIBVSD-PGVNHDJNSA-N	1	0	498.536	3.090	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102884373	130365522	/nfs/dbraw/zinc/36/55/22/130365522.db2.gz	GVKQSKGVHNVJFU-MRJHHRETSA-N	1	0	453.495	3.367	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102884374	130365539	/nfs/dbraw/zinc/36/55/39/130365539.db2.gz	GVKQSKGVHNVJFU-JBCNATCCSA-N	1	0	453.495	3.367	50	30		JGEARO
CCOC(=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	ZINC000102924798	130394296	/nfs/dbraw/zinc/39/42/96/130394296.db2.gz	OFHBJDSPZVUJIR-PGVNHDJNSA-N	1	0	498.536	3.090	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102926032	130397165	/nfs/dbraw/zinc/39/71/65/130397165.db2.gz	CUWTVANAYYRDBE-IAMBOQNYSA-N	1	0	462.550	3.333	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C1CC1	ZINC000036309123	518296466	/nfs/dbraw/zinc/29/64/66/518296466.db2.gz	DIQGBFQZMLIWAW-XUZZJYLKSA-N	1	0	468.619	3.036	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)CC1CC1	ZINC000036309517	518298118	/nfs/dbraw/zinc/29/81/18/518298118.db2.gz	NYBCUTXORVEASF-WIOPSUGQSA-N	1	0	482.646	3.284	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F	ZINC000036306725	518300365	/nfs/dbraw/zinc/30/03/65/518300365.db2.gz	HSVUPFWYJVZIPB-NRFANRHFSA-N	1	0	467.541	3.478	50	30		JGEARO
C/C(=[NH+]\c1ccc(OC(F)(F)F)cc1)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012351086	518472045	/nfs/dbraw/zinc/47/20/45/518472045.db2.gz	KSHHZQLNPNWVCU-YDZHTSKRSA-N	1	0	460.434	3.454	50	30		JGEARO
C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1=O	ZINC000012002912	518945837	/nfs/dbraw/zinc/94/58/37/518945837.db2.gz	UZWXTHSIRFCMGO-ZBBKGZSWSA-N	1	0	480.653	3.462	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009123108	519011807	/nfs/dbraw/zinc/01/18/07/519011807.db2.gz	HAAKSDLFEUMFSX-JBCNATCCSA-N	1	0	451.479	3.143	50	30		JGEARO
C=CCOc1ccccc1C[NH+]1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1	ZINC000011913025	519070134	/nfs/dbraw/zinc/07/01/34/519070134.db2.gz	XSOPXJDSYGAUBN-LXFBAYGMSA-N	1	0	490.604	3.485	50	30		JGEARO
C=CCn1cc(C(=O)NCCC[N@@H+](C)CCCC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000009731236	519275649	/nfs/dbraw/zinc/27/56/49/519275649.db2.gz	CNFAECHQZFWXMC-UHFFFAOYSA-N	1	0	490.670	3.070	50	30		JGEARO
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3cccc(OCCO)c3)CC2)C1=O	ZINC000012282576	519339881	/nfs/dbraw/zinc/33/98/81/519339881.db2.gz	CQCOYLVUMKJSRI-LJAQVGFWSA-N	1	0	489.616	3.216	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2cccs2)cc1	ZINC000022802013	519778497	/nfs/dbraw/zinc/77/84/97/519778497.db2.gz	KWLPZMHKRHGRBM-OAQYLSRUSA-N	1	0	455.580	3.019	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000020439056	519865427	/nfs/dbraw/zinc/86/54/27/519865427.db2.gz	OXFKHSJUXCHKAV-MHZLTWQESA-N	1	0	473.529	3.484	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000009240141	520419860	/nfs/dbraw/zinc/41/98/60/520419860.db2.gz	ROANBXKGUDRDOW-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(OC)c1	ZINC000020292046	520602292	/nfs/dbraw/zinc/60/22/92/520602292.db2.gz	JSUOZBYAXBJCLL-XMMPIXPASA-N	1	0	496.560	3.482	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009339575	520647797	/nfs/dbraw/zinc/64/77/97/520647797.db2.gz	LGAZQCYXWNFXMT-PGVNHDJNSA-N	1	0	498.536	3.090	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccs1	ZINC000009043822	520648550	/nfs/dbraw/zinc/64/85/50/520648550.db2.gz	DDLQZWLJPRHMOK-ZMESVYRVSA-N	1	0	459.568	3.243	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009177613	522174341	/nfs/dbraw/zinc/17/43/41/522174341.db2.gz	FPWHSKOFBHWKSR-SFHVURJKSA-N	1	0	457.552	3.077	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000016735079	522918202	/nfs/dbraw/zinc/91/82/02/522918202.db2.gz	IGRVDCVTTMGXMO-IQMFZBJNSA-N	1	0	496.560	3.176	50	30		JGEARO
COc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1OC	ZINC000020533250	523541931	/nfs/dbraw/zinc/54/19/31/523541931.db2.gz	QLTHCEYEFSUVDK-DQACCSDVSA-N	1	0	463.578	3.163	50	30		JGEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1	ZINC000009311923	524054276	/nfs/dbraw/zinc/05/42/76/524054276.db2.gz	PYYUYEUQPQVUHC-MRJHHRETSA-N	1	0	456.926	3.485	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc(OC)c3OC)oc21	ZINC000009177358	524256274	/nfs/dbraw/zinc/25/62/74/524256274.db2.gz	HHLNRYKKRHPPIF-MRJHHRETSA-N	1	0	480.517	3.442	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(OC(C)C)cc1	ZINC000020676810	527606414	/nfs/dbraw/zinc/60/64/14/527606414.db2.gz	ABBFTPAQEPOIMU-QFIPXVFZSA-N	1	0	454.571	3.354	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccn1	ZINC000102690561	535507950	/nfs/dbraw/zinc/50/79/50/535507950.db2.gz	XNBGYZWEFHINRN-MOBKVPTQSA-N	1	0	453.539	3.252	50	30		JGEARO
CC[NH+]1CCN(c2c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000002245278	554110809	/nfs/dbraw/zinc/11/08/09/554110809.db2.gz	YFKUGIMDIUQROB-ZHZULCJRSA-N	1	0	485.679	3.241	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000008744248	554647471	/nfs/dbraw/zinc/64/74/71/554647471.db2.gz	PURYUGLZZFWRDF-WOOAAIBNSA-N	1	0	460.552	3.147	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000008981598	554847007	/nfs/dbraw/zinc/84/70/07/554847007.db2.gz	UQNWMFQWIRJBET-QHCPKHFHSA-N	1	0	492.576	3.498	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)c1C	ZINC000008988168	554850685	/nfs/dbraw/zinc/85/06/85/554850685.db2.gz	GCFCDOHFRXXSKX-FQEVSTJZSA-N	1	0	457.527	3.240	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008996739	554857931	/nfs/dbraw/zinc/85/79/31/554857931.db2.gz	XHVVHORJPFUBJO-HOGKFDNTSA-N	1	0	484.549	3.094	50	30		JGEARO
COc1cc(/[NH+]=C(/C)N(C)CCNS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC	ZINC000013399833	555395411	/nfs/dbraw/zinc/39/54/11/555395411.db2.gz	FVQAZGYWLIWZRF-UCQKPKSFSA-N	1	0	455.964	3.326	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000013451146	555400897	/nfs/dbraw/zinc/40/08/97/555400897.db2.gz	VTNACDIGHXSZJP-JOCHJYFZSA-N	1	0	454.523	3.161	50	30		JGEARO
CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)C[N@H+](C)CC3)c(C#N)c1C	ZINC000019852688	555511732	/nfs/dbraw/zinc/51/17/32/555511732.db2.gz	NVJBRIWOAQJRME-UHFFFAOYSA-N	1	0	455.565	3.090	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000020029630	555605288	/nfs/dbraw/zinc/60/52/88/555605288.db2.gz	WFZPIAGQJYRPFE-JOCHJYFZSA-N	1	0	454.523	3.248	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020134631	555659430	/nfs/dbraw/zinc/65/94/30/555659430.db2.gz	VWFBDRZDHVFNJZ-LJQANCHMSA-N	1	0	471.579	3.467	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020190845	555692014	/nfs/dbraw/zinc/69/20/14/555692014.db2.gz	SOSFAIWNQUCYKX-QHCPKHFHSA-N	1	0	466.534	3.409	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000020191789	555692970	/nfs/dbraw/zinc/69/29/70/555692970.db2.gz	OMRQFLAWMZWCSZ-OAQYLSRUSA-N	1	0	469.494	3.142	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(OC)c1	ZINC000020193194	555694556	/nfs/dbraw/zinc/69/45/56/555694556.db2.gz	RQNVOHKLMWUPAU-QFIPXVFZSA-N	1	0	452.507	3.344	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020193191	555694698	/nfs/dbraw/zinc/69/46/98/555694698.db2.gz	RHORHKIWYWUPJT-JOCHJYFZSA-N	1	0	480.517	3.122	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Br)c1	ZINC000020229485	555719661	/nfs/dbraw/zinc/71/96/61/555719661.db2.gz	HLGOVJVEJJFIKB-HXUWFJFHSA-N	1	0	487.350	3.360	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020230810	555721087	/nfs/dbraw/zinc/72/10/87/555721087.db2.gz	UMTAQXIKJNVQJN-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020352259	555780368	/nfs/dbraw/zinc/78/03/68/555780368.db2.gz	XOWMPOFWFILYHM-UULLZXFKSA-N	1	0	489.572	3.061	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024192883	556125747	/nfs/dbraw/zinc/12/57/47/556125747.db2.gz	QFWFZLXKBJGEOM-MHZLTWQESA-N	1	0	477.536	3.351	50	30		JGEARO
COc1cccc([C@@H](CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[NH+](C)C)c1	ZINC000028840867	556342478	/nfs/dbraw/zinc/34/24/78/556342478.db2.gz	QDFMGUHPUCGMDE-OAQYLSRUSA-N	1	0	463.538	3.450	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccccc1	ZINC000013127543	556343854	/nfs/dbraw/zinc/34/38/54/556343854.db2.gz	SEYKVCIOOWVCLD-OAQYLSRUSA-N	1	0	453.539	3.338	50	30		JGEARO
CCCCCCCCn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000095551095	569727604	/nfs/dbraw/zinc/72/76/04/569727604.db2.gz	YCRKLRGWNWWHDA-UHFFFAOYSA-N	1	0	452.603	3.106	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)C1=O	ZINC000103130036	569833134	/nfs/dbraw/zinc/83/31/34/569833134.db2.gz	FCXAHKJGOQUZIQ-JSAFQYNZSA-N	1	0	480.362	3.365	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C1CC1	ZINC000230111046	570045077	/nfs/dbraw/zinc/04/50/77/570045077.db2.gz	DIQGBFQZMLIWAW-ZJSXRUAMSA-N	1	0	468.619	3.036	50	30		JGEARO
CCOCCC[NH+]=C(NCCc1ccc(OCC(=O)NC2CC2)cc1)NCc1ccc(OC)cc1	ZINC000058369721	195378435	/nfs/dbraw/zinc/37/84/35/195378435.db2.gz	HWBVSBAXCLLCOW-UHFFFAOYSA-N	1	0	482.625	3.057	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102486220	130140145	/nfs/dbraw/zinc/14/01/45/130140145.db2.gz	JSWOGLDOMJNYHT-LFVOPCPISA-N	1	0	489.594	3.159	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102487327	130141442	/nfs/dbraw/zinc/14/14/42/130141442.db2.gz	WINTZLVORRSWAM-XTNNDJGYSA-N	1	0	478.545	3.170	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c1C	ZINC000102495813	130150209	/nfs/dbraw/zinc/15/02/09/130150209.db2.gz	UCBPOQGUZXANSN-ASBZNUFUSA-N	1	0	473.957	3.445	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000102500206	130153858	/nfs/dbraw/zinc/15/38/58/130153858.db2.gz	YCIQMJYMBMAHGG-HOGKFDNTSA-N	1	0	475.505	3.072	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102537835	130192761	/nfs/dbraw/zinc/19/27/61/130192761.db2.gz	NTALZCKHIVHKBK-JBCNATCCSA-N	1	0	474.941	3.349	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102573207	130214791	/nfs/dbraw/zinc/21/47/91/130214791.db2.gz	XGPAXIKUTOVSMX-MOBKVPTQSA-N	1	0	466.538	3.424	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102643904	130229370	/nfs/dbraw/zinc/22/93/70/130229370.db2.gz	WINTZLVORRSWAM-FIMCBBJJSA-N	1	0	478.545	3.170	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102857834	130326880	/nfs/dbraw/zinc/32/68/80/130326880.db2.gz	FAWLELMEAXDSAZ-OBVHCKHUSA-N	1	0	477.521	3.233	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102859176	130329519	/nfs/dbraw/zinc/32/95/19/130329519.db2.gz	ILZBAJPTJQEATO-FIMCBBJJSA-N	1	0	450.535	3.392	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000102885664	130366762	/nfs/dbraw/zinc/36/67/62/130366762.db2.gz	IGPKCNSFNKSPMU-ZHHPLPSFSA-N	1	0	468.550	3.474	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1	ZINC000036309501	518296718	/nfs/dbraw/zinc/29/67/18/518296718.db2.gz	IQZYJRUVCBLECX-URXFXBBRSA-N	1	0	470.635	3.284	50	30		JGEARO
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(OCC)cc2)c1	ZINC000033033552	518768681	/nfs/dbraw/zinc/76/86/81/518768681.db2.gz	MMWYRTCIIOJKQD-UHFFFAOYSA-N	1	0	484.622	3.110	50	30		JGEARO
C=CCN1C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C1CN1CC[NH+](C)CC1	ZINC000035991101	518839550	/nfs/dbraw/zinc/83/95/50/518839550.db2.gz	OUYZJACTZNNCLJ-QHCPKHFHSA-N	1	0	454.615	3.301	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCC[C@H](C)[NH+]3CCCC3)cc2)c(=O)c1=O	ZINC000033272790	519265712	/nfs/dbraw/zinc/26/57/12/519265712.db2.gz	QTCHTJDVIJRRDU-FQEVSTJZSA-N	1	0	460.578	3.002	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2)c(=O)c1=O	ZINC000033272780	519266387	/nfs/dbraw/zinc/26/63/87/519266387.db2.gz	LLFWXTBSWLBUHH-OAQYLSRUSA-N	1	0	474.605	3.249	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2	ZINC000014748296	519288308	/nfs/dbraw/zinc/28/83/08/519288308.db2.gz	LEPYHHJRZHSNQN-QGZVFWFLSA-N	1	0	466.479	3.347	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C)cc1	ZINC000009008308	520647999	/nfs/dbraw/zinc/64/79/99/520647999.db2.gz	LWMXBYLSJUUFGN-HFEWCJDKSA-N	1	0	467.566	3.490	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(F)cc1	ZINC000009270696	520648345	/nfs/dbraw/zinc/64/83/45/520648345.db2.gz	QVNREPLYUWHBRI-PGVNHDJNSA-N	1	0	471.529	3.321	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1	ZINC000009329884	520654957	/nfs/dbraw/zinc/65/49/57/520654957.db2.gz	DXAXEQKFQLICQI-JBCNATCCSA-N	1	0	453.495	3.367	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009312126	522170774	/nfs/dbraw/zinc/17/07/74/522170774.db2.gz	BUEGZLXPAHQKFY-HJPURHCSSA-N	1	0	478.545	3.327	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000020057864	522918174	/nfs/dbraw/zinc/91/81/74/522918174.db2.gz	ZACWDNSSVSHABZ-LJQANCHMSA-N	1	0	460.552	3.304	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000016735070	522953572	/nfs/dbraw/zinc/95/35/72/522953572.db2.gz	IGRVDCVTTMGXMO-WNSKOXEYSA-N	1	0	496.560	3.176	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1OC	ZINC000009241418	523371209	/nfs/dbraw/zinc/37/12/09/523371209.db2.gz	XKWZYKRVJXQWRO-HOGKFDNTSA-N	1	0	484.549	3.094	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000009241700	523373975	/nfs/dbraw/zinc/37/39/75/523373975.db2.gz	WZAICVOGFSLVFX-LFVOPCPISA-N	1	0	459.886	3.240	50	30		JGEARO
COc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1OC	ZINC000020533249	523540755	/nfs/dbraw/zinc/54/07/55/523540755.db2.gz	QLTHCEYEFSUVDK-RCHCNPRSSA-N	1	0	463.578	3.163	50	30		JGEARO
CN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020439809	524054983	/nfs/dbraw/zinc/05/49/83/524054983.db2.gz	ZJPYSYIVGOCMIS-AREMUKBSSA-N	1	0	459.502	3.093	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(O)c(OC)c3)oc21	ZINC000021554899	524257801	/nfs/dbraw/zinc/25/78/01/524257801.db2.gz	NSBSUKAMQDPQES-OAQYLSRUSA-N	1	0	466.490	3.296	50	30		JGEARO
COc1ccccc1[C@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000012468561	524803306	/nfs/dbraw/zinc/80/33/06/524803306.db2.gz	ORFBBUNQFOGLNB-QFIPXVFZSA-N	1	0	462.550	3.490	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009041598	525387527	/nfs/dbraw/zinc/38/75/27/525387527.db2.gz	AWXYJQIWXNKKRB-QFIPXVFZSA-N	1	0	462.550	3.490	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000009186777	525758156	/nfs/dbraw/zinc/75/81/56/525758156.db2.gz	ZASUOJUXGVCOPD-HOGKFDNTSA-N	1	0	484.549	3.094	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009270820	527091455	/nfs/dbraw/zinc/09/14/55/527091455.db2.gz	OXQMAPBPKVSNCK-OAQYLSRUSA-N	1	0	477.521	3.389	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000102867297	535005658	/nfs/dbraw/zinc/00/56/58/535005658.db2.gz	MVAAGKDYUFMJMU-OAWJJLAXSA-N	1	0	473.529	3.327	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102697281	536566344	/nfs/dbraw/zinc/56/63/44/536566344.db2.gz	JIDOZDHDSBKOLR-NXLSWJSLSA-N	1	0	477.605	3.320	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000000913646	553842615	/nfs/dbraw/zinc/84/26/15/553842615.db2.gz	MQZDXEYJKUDSMH-JOCHJYFZSA-N	1	0	484.549	3.169	50	30	biogenic	JGEARO
CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](CC)CC2)SC1=S	ZINC000002245717	554111103	/nfs/dbraw/zinc/11/11/03/554111103.db2.gz	NNPONYZWNGHIDR-RGEXLXHISA-N	1	0	473.668	3.099	50	30		JGEARO
CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](CC)CC2)SC1=S	ZINC000002245832	554111381	/nfs/dbraw/zinc/11/13/81/554111381.db2.gz	BBPSQKZLVSQGFN-HKWRFOASSA-N	1	0	487.695	3.489	50	30		JGEARO
CCN(CC)c1ccc(/C=[NH+]/N/C=C2/c3ccc(C4=NNC(=O)CC4)cc3N(CC)C2=O)cc1	ZINC000008453969	554599381	/nfs/dbraw/zinc/59/93/81/554599381.db2.gz	QFRUZJVNXDQAAP-JDUXMPPOSA-N	1	0	458.566	3.478	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000008836413	554736349	/nfs/dbraw/zinc/73/63/49/554736349.db2.gz	HSUNNXMGTBVHBK-COUQNMRISA-N	1	0	462.550	3.415	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21	ZINC000008980766	554846808	/nfs/dbraw/zinc/84/68/08/554846808.db2.gz	BDQXWHKSSYGJMZ-NHFXJNLRSA-N	1	0	465.462	3.333	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009007972	554861815	/nfs/dbraw/zinc/86/18/15/554861815.db2.gz	DSETWFAQDSHDDQ-HOGKFDNTSA-N	1	0	450.491	3.433	50	30		JGEARO
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000013426855	555399804	/nfs/dbraw/zinc/39/98/04/555399804.db2.gz	FGIVFEKNMXPTAU-QHCPKHFHSA-N	1	0	499.633	3.200	50	30		JGEARO
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000013426856	555399882	/nfs/dbraw/zinc/39/98/82/555399882.db2.gz	FGIVFEKNMXPTAU-HSZRJFAPSA-N	1	0	499.633	3.200	50	30		JGEARO
C=CCN1C(=O)[C@@]2(SC1=S)[C@H](c1ccccc1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000013629728	555541196	/nfs/dbraw/zinc/54/11/96/555541196.db2.gz	WIXGEDWAWMYIHU-OWAUWMPXSA-N	1	0	479.627	3.381	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000019956294	555571118	/nfs/dbraw/zinc/57/11/18/555571118.db2.gz	IOTVOKRKQUWHNZ-QFIPXVFZSA-N	1	0	454.523	3.248	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020171202	555680733	/nfs/dbraw/zinc/68/07/33/555680733.db2.gz	YQKKGGACCCTHDV-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020190849	555692037	/nfs/dbraw/zinc/69/20/37/555692037.db2.gz	SOSFAIWNQUCYKX-HSZRJFAPSA-N	1	0	466.534	3.409	50	30		JGEARO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020193174	555694704	/nfs/dbraw/zinc/69/47/04/555694704.db2.gz	KPTCVEWBEKATRF-JOCHJYFZSA-N	1	0	450.491	3.120	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccncc1	ZINC000020219363	555714150	/nfs/dbraw/zinc/71/41/50/555714150.db2.gz	ABLGGKTYCCVCDS-NRFANRHFSA-N	1	0	468.554	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(F)cc1	ZINC000020219731	555715820	/nfs/dbraw/zinc/71/58/20/555715820.db2.gz	KEUCHWQWYUNXNX-NRFANRHFSA-N	1	0	471.529	3.477	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1	ZINC000020227854	555718363	/nfs/dbraw/zinc/71/83/63/555718363.db2.gz	IMDFIYFOGZIAQL-HXUWFJFHSA-N	1	0	487.350	3.360	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000020229397	555719745	/nfs/dbraw/zinc/71/97/45/555719745.db2.gz	UADBBWICHARKLZ-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000020231328	555721313	/nfs/dbraw/zinc/72/13/13/555721313.db2.gz	TWDYZPNKJPIVGQ-IBGZPJMESA-N	1	0	459.886	3.397	50	30		JGEARO
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020289141	555759829	/nfs/dbraw/zinc/75/98/29/555759829.db2.gz	CKBHCYSJDKMJPO-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000020310056	555768004	/nfs/dbraw/zinc/76/80/04/555768004.db2.gz	OMKRICDKCVIAEF-NRFANRHFSA-N	1	0	453.495	3.447	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2	ZINC000014531748	555819309	/nfs/dbraw/zinc/81/93/09/555819309.db2.gz	KNXKHRIXKISUFR-GOSISDBHSA-N	1	0	466.479	3.347	50	30		JGEARO
CN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Br)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147791	556124064	/nfs/dbraw/zinc/12/40/64/556124064.db2.gz	VUJUNZPFOUJWBV-DEOSSOPVSA-N	1	0	498.377	3.110	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@]23c2ccccc2N(C)C3=O)cc1C	ZINC000024192898	556125639	/nfs/dbraw/zinc/12/56/39/556125639.db2.gz	FHLOPVYEHZPCBK-MUUNZHRXSA-N	1	0	489.572	3.220	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1	ZINC000018203694	556309271	/nfs/dbraw/zinc/30/92/71/556309271.db2.gz	HSYLKWOGXFYBKR-HSZRJFAPSA-N	1	0	482.533	3.005	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013127285	556343047	/nfs/dbraw/zinc/34/30/47/556343047.db2.gz	UDFDLDVDZBWNIA-HSZRJFAPSA-N	1	0	478.549	3.190	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000101287131	569789226	/nfs/dbraw/zinc/78/92/26/569789226.db2.gz	YAJHFPAULAOYKY-AYWGPLOBSA-N	1	0	466.534	3.252	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000102861497	569825007	/nfs/dbraw/zinc/82/50/07/569825007.db2.gz	SGYQIEPNDIMDHI-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000102861494	569825022	/nfs/dbraw/zinc/82/50/22/569825022.db2.gz	SGYQIEPNDIMDHI-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1C	ZINC000102931770	569828612	/nfs/dbraw/zinc/82/86/12/569828612.db2.gz	MPDWBZMVOUXYDQ-HFEWCJDKSA-N	1	0	467.566	3.490	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1	ZINC000103892425	569838859	/nfs/dbraw/zinc/83/88/59/569838859.db2.gz	QYUSNRLXEYSTEO-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000103904072	569838957	/nfs/dbraw/zinc/83/89/57/569838957.db2.gz	MPMFKXCWRBKSFR-HOGKFDNTSA-N	1	0	454.523	3.004	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000103968554	569839616	/nfs/dbraw/zinc/83/96/16/569839616.db2.gz	VDWXQAQBCOQPGC-HOGKFDNTSA-N	1	0	454.523	3.091	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000104094068	569840775	/nfs/dbraw/zinc/84/07/75/569840775.db2.gz	RXOFMVHHFJMQIW-JBCNATCCSA-N	1	0	453.495	3.367	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1	ZINC000105004460	569849725	/nfs/dbraw/zinc/84/97/25/569849725.db2.gz	MPMPFCSOENPVEG-NZQKXSOJSA-N	1	0	474.598	3.115	50	30		JGEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1cccs1)C[N@@H+](C)[C@]21c2cc(OC)ccc2N(C)C1=O	ZINC000106022162	569853788	/nfs/dbraw/zinc/85/37/88/569853788.db2.gz	KRPQOPDMBHSFMP-IRBZQWRBSA-N	1	0	485.656	3.443	50	30		JGEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C	ZINC000245327909	570065501	/nfs/dbraw/zinc/06/55/01/570065501.db2.gz	LFOUHPWFIQFJPN-NZQKXSOJSA-N	1	0	474.598	3.113	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C	ZINC000245328341	570065662	/nfs/dbraw/zinc/06/56/62/570065662.db2.gz	NPFJBKPMNWFJJU-JTHBVZDNSA-N	1	0	470.635	3.202	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248008504	570072688	/nfs/dbraw/zinc/07/26/88/570072688.db2.gz	HWNMGTQQJUNSFH-FYYLOGMGSA-N	1	0	470.635	3.284	50	30		JGEARO
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020612365	195185968	/nfs/dbraw/zinc/18/59/68/195185968.db2.gz	HKCGPXDYAIWCMR-WVHFFXRNSA-N	1	0	468.594	3.060	50	30	biogenic	JGEARO
COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102489764	130143165	/nfs/dbraw/zinc/14/31/65/130143165.db2.gz	AQKFYUGDMNALEK-ZHHPLPSFSA-N	1	0	460.534	3.173	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(OC)cc1	ZINC000102492450	130146642	/nfs/dbraw/zinc/14/66/42/130146642.db2.gz	RBVLWJDYRDSEJE-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c1C	ZINC000102506033	130160440	/nfs/dbraw/zinc/16/04/40/130160440.db2.gz	OTUGBJINQYRZAO-OBVHCKHUSA-N	1	0	471.529	3.321	50	30		JGEARO
COc1ccccc1[C@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CC[NH+](C)C	ZINC000102527327	130179611	/nfs/dbraw/zinc/17/96/11/130179611.db2.gz	SPIHLWIPOAMLOR-AYWGPLOBSA-N	1	0	460.534	3.173	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102533649	130187323	/nfs/dbraw/zinc/18/73/23/130187323.db2.gz	RRUAODDKPHGHRF-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102533449	130187364	/nfs/dbraw/zinc/18/73/64/130187364.db2.gz	KQUJKCABQLLIGJ-GHNGSUTGSA-N	1	0	459.568	3.151	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102535201	130189726	/nfs/dbraw/zinc/18/97/26/130189726.db2.gz	PTABZDRHFCJEQH-HFEWCJDKSA-N	1	0	478.549	3.033	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102536037	130190712	/nfs/dbraw/zinc/19/07/12/130190712.db2.gz	SKNJMVRUSLVDRL-NXLSWJSLSA-N	1	0	490.560	3.181	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102576892	130215503	/nfs/dbraw/zinc/21/55/03/130215503.db2.gz	TZQJUVRMKLXJQW-HOGKFDNTSA-N	1	0	483.521	3.376	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102727140	130271643	/nfs/dbraw/zinc/27/16/43/130271643.db2.gz	HYYLCYJSVLFUAO-WOOAAIBNSA-N	1	0	489.366	3.450	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102739776	130284600	/nfs/dbraw/zinc/28/46/00/130284600.db2.gz	DUGPHTMDQAAJBL-GHNGSUTGSA-N	1	0	451.354	3.327	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102859172	130329445	/nfs/dbraw/zinc/32/94/45/130329445.db2.gz	ILZBAJPTJQEATO-LEQIOXTRSA-N	1	0	450.535	3.392	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102880301	130355755	/nfs/dbraw/zinc/35/57/55/130355755.db2.gz	QMLJGJYFKRFFPT-IAMBOQNYSA-N	1	0	462.550	3.333	50	30		JGEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C	ZINC000036309547	518295996	/nfs/dbraw/zinc/29/59/96/518295996.db2.gz	ZAMGELGGVNXPMM-XUZZJYLKSA-N	1	0	470.635	3.282	50	30		JGEARO
C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H]([NH2+]CCCO)C1=CCOC1=O	ZINC000015415314	518664751	/nfs/dbraw/zinc/66/47/51/518664751.db2.gz	CPBGJYXOHYZUDZ-YQYFVZSGSA-N	1	0	491.625	3.084	50	30	biogenic	JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1	ZINC000036308946	518980683	/nfs/dbraw/zinc/98/06/83/518980683.db2.gz	SLITVIICMVLYNN-RDPSFJRHSA-N	1	0	486.634	3.289	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009123112	519011568	/nfs/dbraw/zinc/01/15/68/519011568.db2.gz	HAAKSDLFEUMFSX-MRJHHRETSA-N	1	0	451.479	3.143	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)c(=O)c1=O	ZINC000033106808	519266325	/nfs/dbraw/zinc/26/63/25/519266325.db2.gz	XIVUSAJBWGZSMZ-UHFFFAOYSA-N	1	0	460.578	3.003	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2	ZINC000014731444	519290051	/nfs/dbraw/zinc/29/00/51/519290051.db2.gz	FANZHAYKMCZEJO-SFHVURJKSA-N	1	0	477.531	3.002	50	30		JGEARO
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+]([C@H](C)CCn3cccn3)CC2)C1=O	ZINC000012218594	519340119	/nfs/dbraw/zinc/34/01/19/519340119.db2.gz	BOVOIARPIQDLGB-IBVKSMDESA-N	1	0	465.573	3.069	50	30		JGEARO
CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CC[NH+](Cc3cn(C)nc3C)CC2)C1=O	ZINC000011868979	519340777	/nfs/dbraw/zinc/34/07/77/519340777.db2.gz	WEIHOLGGDHLIPG-MHZLTWQESA-N	1	0	461.610	3.277	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2cccs2)cc1	ZINC000022802018	519778457	/nfs/dbraw/zinc/77/84/57/519778457.db2.gz	KWLPZMHKRHGRBM-NRFANRHFSA-N	1	0	455.580	3.019	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccncc1	ZINC000009460751	520597951	/nfs/dbraw/zinc/59/79/51/520597951.db2.gz	DDSJLAXCJCHABQ-MOBKVPTQSA-N	1	0	451.523	3.006	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009008552	520653248	/nfs/dbraw/zinc/65/32/48/520653248.db2.gz	OBQMSYVKASNZPM-SELCWUDQSA-N	1	0	458.540	3.432	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1	ZINC000009329885	520654810	/nfs/dbraw/zinc/65/48/10/520654810.db2.gz	DXAXEQKFQLICQI-MRJHHRETSA-N	1	0	453.495	3.367	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(F)cc1	ZINC000020219732	520657960	/nfs/dbraw/zinc/65/79/60/520657960.db2.gz	KEUCHWQWYUNXNX-OAQYLSRUSA-N	1	0	471.529	3.477	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000016265857	520784049	/nfs/dbraw/zinc/78/40/49/520784049.db2.gz	KJCPLDSKENJRNB-QFIPXVFZSA-N	1	0	472.513	3.469	50	30		JGEARO
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	ZINC000009046661	521360808	/nfs/dbraw/zinc/36/08/08/521360808.db2.gz	NGFWYHGSUGMOOI-FQEVSTJZSA-N	1	0	457.502	3.087	50	30		JGEARO
COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)c2cccc(C#CC(C)(C)O)c2)CCO3)CC1	ZINC000012338068	522915043	/nfs/dbraw/zinc/91/50/43/522915043.db2.gz	SMOZUNLNKKSISS-UHFFFAOYSA-N	1	0	490.600	3.229	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+]2CCCC2)cc(OC)c1OC	ZINC000041537673	522917391	/nfs/dbraw/zinc/91/73/91/522917391.db2.gz	IEPNMLIYRQENHE-HXUWFJFHSA-N	1	0	472.563	3.448	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+]2CCCC2)cc(OC)c1OC	ZINC000041537677	522956612	/nfs/dbraw/zinc/95/66/12/522956612.db2.gz	IEPNMLIYRQENHE-FQEVSTJZSA-N	1	0	472.563	3.448	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000009071953	523371826	/nfs/dbraw/zinc/37/18/26/523371826.db2.gz	VGESYXHFNDSSJZ-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009360855	523373444	/nfs/dbraw/zinc/37/34/44/523373444.db2.gz	UFGGUWYYMXAGSH-LFVOPCPISA-N	1	0	459.340	3.441	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000009302162	524021450	/nfs/dbraw/zinc/02/14/50/524021450.db2.gz	NFKFBAGGZYZAJN-IBGZPJMESA-N	1	0	459.930	3.211	50	30		JGEARO
Cc1cc(C)c[n+](C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000002365457	524351964	/nfs/dbraw/zinc/35/19/64/524351964.db2.gz	RVLIGOZPTYPXBU-UHFFFAOYSA-O	1	0	453.927	3.471	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000009123254	525759067	/nfs/dbraw/zinc/75/90/67/525759067.db2.gz	BGWXFAYGOIPNGO-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000020676815	527605734	/nfs/dbraw/zinc/60/57/34/527605734.db2.gz	ABBFTPAQEPOIMU-JOCHJYFZSA-N	1	0	454.571	3.354	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c(OC)c1	ZINC000102752400	536561752	/nfs/dbraw/zinc/56/17/52/536561752.db2.gz	OXFLQLRLRJOXGO-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1C	ZINC000102727159	536563542	/nfs/dbraw/zinc/56/35/42/536563542.db2.gz	BAAHNVBZDMJWJW-MOBKVPTQSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000102877483	536563787	/nfs/dbraw/zinc/56/37/87/536563787.db2.gz	DMDBUOWHYPEDEK-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)c(OC)c1	ZINC000006193497	554517647	/nfs/dbraw/zinc/51/76/47/554517647.db2.gz	NLCOVAATYOKHMQ-ZHHPLPSFSA-N	1	0	468.550	3.481	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000008817174	554699618	/nfs/dbraw/zinc/69/96/18/554699618.db2.gz	ZMKXOVLIVIZORF-IBGZPJMESA-N	1	0	459.568	3.307	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000008835965	554735498	/nfs/dbraw/zinc/73/54/98/554735498.db2.gz	COAWSEHVHNFFFP-LFVOPCPISA-N	1	0	459.886	3.240	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000008837238	554737802	/nfs/dbraw/zinc/73/78/02/554737802.db2.gz	OAHCAMUQWUQXNT-MOBKVPTQSA-N	1	0	450.491	3.433	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009007502	554860655	/nfs/dbraw/zinc/86/06/55/554860655.db2.gz	MDAHUTJIQQVVKZ-HFEWCJDKSA-N	1	0	462.550	3.333	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000009007842	554861131	/nfs/dbraw/zinc/86/11/31/554861131.db2.gz	NBZCETKTIYDGIZ-NRFANRHFSA-N	1	0	453.495	3.442	50	30		JGEARO
CC(C)c1nc(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000009418796	555185951	/nfs/dbraw/zinc/18/59/51/555185951.db2.gz	QAPUQRQXWHGACV-UHFFFAOYSA-N	1	0	453.631	3.308	50	30		JGEARO
C=CCN1C(=O)[C@@]2(SC1=S)[C@@H](c1ccccc1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000013629729	555541125	/nfs/dbraw/zinc/54/11/25/555541125.db2.gz	WIXGEDWAWMYIHU-WVQWTBLQSA-N	1	0	479.627	3.381	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1OC	ZINC000019938580	555556841	/nfs/dbraw/zinc/55/68/41/555556841.db2.gz	PEYHAZOQTZUSHM-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000013693576	555588613	/nfs/dbraw/zinc/58/86/13/555588613.db2.gz	QFIMCKORAZKHGK-SFHVURJKSA-N	1	0	451.354	3.484	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000013733347	555605102	/nfs/dbraw/zinc/60/51/02/555605102.db2.gz	CWNDOWPRHJTTHP-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC(C)C)cc2)c(C)n1	ZINC000013733720	555605149	/nfs/dbraw/zinc/60/51/49/555605149.db2.gz	DOSXEJUHMPVMQS-QFIPXVFZSA-N	1	0	452.555	3.411	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013736479	555606101	/nfs/dbraw/zinc/60/61/01/555606101.db2.gz	YWDWQIASADHCOU-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020171152	555680407	/nfs/dbraw/zinc/68/04/07/555680407.db2.gz	GLARYAIWGQKTDQ-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020219232	555713376	/nfs/dbraw/zinc/71/33/76/555713376.db2.gz	IELONGKFPSUDNB-QFIPXVFZSA-N	1	0	477.521	3.471	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020219234	555713444	/nfs/dbraw/zinc/71/34/44/555713444.db2.gz	IELONGKFPSUDNB-JOCHJYFZSA-N	1	0	477.521	3.471	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1	ZINC000020219364	555714119	/nfs/dbraw/zinc/71/41/19/555714119.db2.gz	ABLGGKTYCCVCDS-OAQYLSRUSA-N	1	0	468.554	3.123	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020219520	555714812	/nfs/dbraw/zinc/71/48/12/555714812.db2.gz	AIFJJGIYVLGRRZ-HSZRJFAPSA-N	1	0	482.533	3.005	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)oc21	ZINC000020219879	555716446	/nfs/dbraw/zinc/71/64/46/555716446.db2.gz	NVDNSCIQSREDCD-HXUWFJFHSA-N	1	0	465.462	3.490	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccn1	ZINC000020229601	555720172	/nfs/dbraw/zinc/72/01/72/555720172.db2.gz	GLNIYFHTDIKLMA-JOCHJYFZSA-N	1	0	453.539	3.409	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000020292217	555761975	/nfs/dbraw/zinc/76/19/75/555761975.db2.gz	KIEYXXMQBYHFQB-JOCHJYFZSA-N	1	0	452.507	3.084	50	30		JGEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020352256	555780222	/nfs/dbraw/zinc/78/02/22/555780222.db2.gz	XOWMPOFWFILYHM-JYRCXFKTSA-N	1	0	489.572	3.061	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2	ZINC000014540464	555830672	/nfs/dbraw/zinc/83/06/72/555830672.db2.gz	OQGQWGQCPNZMHI-IBGZPJMESA-N	1	0	463.607	3.312	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147611	556124103	/nfs/dbraw/zinc/12/41/03/556124103.db2.gz	HIUFFCNCYJMNEO-HHHXNRCGSA-N	1	0	461.562	3.436	50	30		JGEARO
Cc1ccc(S(=O)(=O)NC2=C([n+]3ccn(CCC(C)C)c3)C(=O)c3ccccc3C2=O)cc1	ZINC000017145593	556225633	/nfs/dbraw/zinc/22/56/33/556225633.db2.gz	YCGPEXYEZIEOKG-UHFFFAOYSA-O	1	0	464.567	3.356	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000017162320	556229711	/nfs/dbraw/zinc/22/97/11/556229711.db2.gz	PHRLYEOPEOAOLK-JOCHJYFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000017180558	556234838	/nfs/dbraw/zinc/23/48/38/556234838.db2.gz	QNRATWNBNFUAQD-JOCHJYFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013127284	556343022	/nfs/dbraw/zinc/34/30/22/556343022.db2.gz	UDFDLDVDZBWNIA-QHCPKHFHSA-N	1	0	478.549	3.190	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000013127282	556343054	/nfs/dbraw/zinc/34/30/54/556343054.db2.gz	JDLYBXQGVBJVIS-MHZLTWQESA-N	1	0	477.561	3.136	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@H]2c2ccc3c(c2)OCO3)c1	ZINC000085412611	569710465	/nfs/dbraw/zinc/71/04/65/569710465.db2.gz	BRIBUURLWRRVIB-QFIPXVFZSA-N	1	0	450.491	3.098	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+]2CCCC2)c(OC)c2c1OCO2	ZINC000096335804	569740175	/nfs/dbraw/zinc/74/01/75/569740175.db2.gz	MJXRMOIVLSAHKB-GOSISDBHSA-N	1	0	486.546	3.168	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2	ZINC000096851291	569743516	/nfs/dbraw/zinc/74/35/16/569743516.db2.gz	DBXUOFHTINJTEI-LJQANCHMSA-N	1	0	479.522	3.262	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000101287052	569789285	/nfs/dbraw/zinc/78/92/85/569789285.db2.gz	QLIHLTOBVKGXFW-AYWGPLOBSA-N	1	0	466.534	3.252	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102927926	569827058	/nfs/dbraw/zinc/82/70/58/569827058.db2.gz	SBJHMCCSKLNTSL-JBCNATCCSA-N	1	0	453.495	3.285	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c1C	ZINC000102928991	569827319	/nfs/dbraw/zinc/82/73/19/569827319.db2.gz	WRHQWDPSONYBJE-OBVHCKHUSA-N	1	0	453.539	3.182	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000103960985	569839614	/nfs/dbraw/zinc/83/96/14/569839614.db2.gz	IOOMZOGVJGKZTL-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
C[NH+](C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3C#N)C[C@@H]12	ZINC000169679207	569869488	/nfs/dbraw/zinc/86/94/88/569869488.db2.gz	HPFXGNUCIUNHIS-REWPJTCUSA-N	1	0	471.527	3.122	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1	ZINC000230110850	570044818	/nfs/dbraw/zinc/04/48/18/570044818.db2.gz	SLITVIICMVLYNN-HYBUGGRVSA-N	1	0	486.634	3.289	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1	ZINC000245279573	570061557	/nfs/dbraw/zinc/06/15/57/570061557.db2.gz	IQZYJRUVCBLECX-ZJSXRUAMSA-N	1	0	470.635	3.284	50	30		JGEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cccc(OC)c2OC)OCO3)C1	ZINC000252441243	570080497	/nfs/dbraw/zinc/08/04/97/570080497.db2.gz	LULUNCWNMKVNJG-PCUWGRHASA-N	1	0	484.525	3.013	50	30		JGEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(OC)cc2OC)OCO3)C1	ZINC000252441508	570080587	/nfs/dbraw/zinc/08/05/87/570080587.db2.gz	ZNTFNJSRIWXRLN-XQOHEHAGSA-N	1	0	484.525	3.013	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]23)cc1OC	ZINC000253487689	570099859	/nfs/dbraw/zinc/09/98/59/570099859.db2.gz	ODXRMYXJGOGYEL-DZEVBEBXSA-N	1	0	473.610	3.415	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009135514	124035187	/nfs/dbraw/zinc/03/51/87/124035187.db2.gz	UMFMXGVNEKUIAB-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000102499767	130153441	/nfs/dbraw/zinc/15/34/41/130153441.db2.gz	GZMIGQJFRBDLQB-MOBKVPTQSA-N	1	0	475.505	3.072	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102515112	130168601	/nfs/dbraw/zinc/16/86/01/130168601.db2.gz	WZXHXQOSICZZPN-AYWGPLOBSA-N	1	0	468.550	3.481	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102520055	130172736	/nfs/dbraw/zinc/17/27/36/130172736.db2.gz	ZUJCCEDJXZEHFI-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000102612564	130224056	/nfs/dbraw/zinc/22/40/56/130224056.db2.gz	ZXUBWSUVSWNKOB-LYJWTBIJSA-N	1	0	489.572	3.146	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102643903	130229322	/nfs/dbraw/zinc/22/93/22/130229322.db2.gz	WINTZLVORRSWAM-LEQIOXTRSA-N	1	0	478.545	3.170	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000102735665	130280143	/nfs/dbraw/zinc/28/01/43/130280143.db2.gz	WBSTYEJNWDVPIY-HOGKFDNTSA-N	1	0	454.523	3.004	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC(C)C)c2)c(C)n1	ZINC000102744132	130286648	/nfs/dbraw/zinc/28/66/48/130286648.db2.gz	XEVKFTCCWULUPV-MOBKVPTQSA-N	1	0	452.555	3.254	50	30		JGEARO
CCOC(=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	ZINC000102862512	130334536	/nfs/dbraw/zinc/33/45/36/130334536.db2.gz	ZSTCNVABCIBVSD-OBVHCKHUSA-N	1	0	498.536	3.090	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102881030	130357607	/nfs/dbraw/zinc/35/76/07/130357607.db2.gz	AOIGXXKNFXKOJY-BUANBSPESA-N	1	0	492.576	3.342	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102881034	130357616	/nfs/dbraw/zinc/35/76/16/130357616.db2.gz	AOIGXXKNFXKOJY-COUQNMRISA-N	1	0	492.576	3.342	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102883153	130363187	/nfs/dbraw/zinc/36/31/87/130363187.db2.gz	YVUISTOILCUTRK-HFEWCJDKSA-N	1	0	490.560	3.111	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC	ZINC000036305770	518308897	/nfs/dbraw/zinc/30/88/97/518308897.db2.gz	DGXIWDQNDHUOSW-JOCHJYFZSA-N	1	0	479.577	3.347	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309226	518309260	/nfs/dbraw/zinc/30/92/60/518309260.db2.gz	HWNMGTQQJUNSFH-GGAORHGYSA-N	1	0	470.635	3.284	50	30		JGEARO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000015319364	518606643	/nfs/dbraw/zinc/60/66/43/518606643.db2.gz	GTAAQHYWQCKRKT-XTOGBABISA-N	1	0	461.587	3.335	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000020461545	518877011	/nfs/dbraw/zinc/87/70/11/518877011.db2.gz	UQJRXMVITFQELU-NDEPHWFRSA-N	1	0	489.572	3.302	50	30		JGEARO
C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O	ZINC000014992337	518945019	/nfs/dbraw/zinc/94/50/19/518945019.db2.gz	UJPQKEMLJOTJRO-IBGZPJMESA-N	1	0	450.583	3.130	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009350941	519010509	/nfs/dbraw/zinc/01/05/09/519010509.db2.gz	ZLZDTYOHNNOHHQ-AYWGPLOBSA-N	1	0	466.534	3.339	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020395156	519018140	/nfs/dbraw/zinc/01/81/40/519018140.db2.gz	VLCWKRLMAWQNIY-QHCPKHFHSA-N	1	0	466.534	3.496	50	30		JGEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009353812	519041269	/nfs/dbraw/zinc/04/12/69/519041269.db2.gz	KDLPFPNXWRKCBF-SBXHHDGASA-N	1	0	478.545	3.396	50	30		JGEARO
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009353813	519047277	/nfs/dbraw/zinc/04/72/77/519047277.db2.gz	KDLPFPNXWRKCBF-NXLSWJSLSA-N	1	0	478.545	3.396	50	30		JGEARO
C=CCOc1ccccc1C[NH+]1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1	ZINC000011913026	519069522	/nfs/dbraw/zinc/06/95/22/519069522.db2.gz	XSOPXJDSYGAUBN-QDPGVEIFSA-N	1	0	490.604	3.485	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)c(=O)c1=O	ZINC000033272773	519265923	/nfs/dbraw/zinc/26/59/23/519265923.db2.gz	UUYVFPCTVVVMMZ-UHFFFAOYSA-N	1	0	460.578	3.003	50	30		JGEARO
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+]([C@@H](C)Cc3ccccn3)CC2)C1=O	ZINC000011791075	519339555	/nfs/dbraw/zinc/33/95/55/519339555.db2.gz	UUIABLIMBOIJKK-DCFHFQCYSA-N	1	0	462.569	3.420	50	30		JGEARO
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3cn(CC)nc3C)CC2)C1=O	ZINC000011786915	519343428	/nfs/dbraw/zinc/34/34/28/519343428.db2.gz	UJZDMMLLXYPGEF-HHHXNRCGSA-N	1	0	461.610	3.370	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000009436966	520653169	/nfs/dbraw/zinc/65/31/69/520653169.db2.gz	JOCLVDHCWALXCQ-ZHHPLPSFSA-N	1	0	494.544	3.008	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009008553	520655120	/nfs/dbraw/zinc/65/51/20/520655120.db2.gz	OBQMSYVKASNZPM-GHNGSUTGSA-N	1	0	458.540	3.432	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000009354007	520773379	/nfs/dbraw/zinc/77/33/79/520773379.db2.gz	UKOPTYBCQZJECC-HOGKFDNTSA-N	1	0	454.523	3.091	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)c1C	ZINC000008838073	521359982	/nfs/dbraw/zinc/35/99/82/521359982.db2.gz	UWPKQVYAHSEIBS-HXUWFJFHSA-N	1	0	457.502	3.087	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000009302153	521361106	/nfs/dbraw/zinc/36/11/06/521361106.db2.gz	BXVUGXNZBBELCF-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)cc1OC	ZINC000009045949	523370434	/nfs/dbraw/zinc/37/04/34/523370434.db2.gz	IRIJCSWOFMQUSP-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000009046601	523552576	/nfs/dbraw/zinc/55/25/76/523552576.db2.gz	MTQRNZHXJJCEER-OAQYLSRUSA-N	1	0	453.495	3.442	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F	ZINC000016248111	523552991	/nfs/dbraw/zinc/55/29/91/523552991.db2.gz	ZJMKFFUTJRFNFV-FQEVSTJZSA-N	1	0	457.458	3.273	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000009185066	524174185	/nfs/dbraw/zinc/17/41/85/524174185.db2.gz	OHTMGUPELNQSSG-SFHVURJKSA-N	1	0	459.568	3.307	50	30		JGEARO
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000016286360	524973704	/nfs/dbraw/zinc/97/37/04/524973704.db2.gz	WVWMAJVVHNAGCN-OYHNWAKOSA-N	1	0	465.506	3.448	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009041600	525220015	/nfs/dbraw/zinc/22/00/15/525220015.db2.gz	AWXYJQIWXNKKRB-JOCHJYFZSA-N	1	0	462.550	3.490	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1	ZINC000009044880	525758723	/nfs/dbraw/zinc/75/87/23/525758723.db2.gz	YTUYGNCVYYGGPX-MRJHHRETSA-N	1	0	454.523	3.086	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000102886249	535508964	/nfs/dbraw/zinc/50/89/64/535508964.db2.gz	PXXDEQVOKQCFAB-AYWGPLOBSA-N	1	0	466.534	3.317	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)cc1	ZINC000102888335	535509495	/nfs/dbraw/zinc/50/94/95/535509495.db2.gz	JPUHGPARXYZASL-ZHHPLPSFSA-N	1	0	466.534	3.317	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000102877485	536561086	/nfs/dbraw/zinc/56/10/86/536561086.db2.gz	DMDBUOWHYPEDEK-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008905216	554799677	/nfs/dbraw/zinc/79/96/77/554799677.db2.gz	KUCLARZQYSZWCL-JBCNATCCSA-N	1	0	450.491	3.433	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c1C	ZINC000008921091	554817876	/nfs/dbraw/zinc/81/78/76/554817876.db2.gz	IXRYBEXHHFSXOM-LJQANCHMSA-N	1	0	459.568	3.400	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000019861545	555520105	/nfs/dbraw/zinc/52/01/05/555520105.db2.gz	SCXLWWHZPCJBSH-HHHXNRCGSA-N	1	0	459.546	3.212	50	30		JGEARO
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019911360	555537722	/nfs/dbraw/zinc/53/77/22/555537722.db2.gz	HPWWRKBBEDCROG-QHCPKHFHSA-N	1	0	464.518	3.163	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000019929373	555546496	/nfs/dbraw/zinc/54/64/96/555546496.db2.gz	YVAIAENQMJEDKZ-NRFANRHFSA-N	1	0	454.523	3.161	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000019955953	555570773	/nfs/dbraw/zinc/57/07/73/555570773.db2.gz	ILOCARWTRSNGOR-QFIPXVFZSA-N	1	0	484.549	3.251	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000013715015	555592751	/nfs/dbraw/zinc/59/27/51/555592751.db2.gz	GVFLPCPVWUJVGW-LJQANCHMSA-N	1	0	459.886	3.397	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c1	ZINC000020132414	555657047	/nfs/dbraw/zinc/65/70/47/555657047.db2.gz	ZOAZESRPYZDNBA-OAQYLSRUSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c1	ZINC000020150048	555666073	/nfs/dbraw/zinc/66/60/73/555666073.db2.gz	NZHRHYFNTLPTOL-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccccn2)c1C	ZINC000020193275	555694584	/nfs/dbraw/zinc/69/45/84/555694584.db2.gz	STFKRVIOYJWOPC-NRFANRHFSA-N	1	0	468.554	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020193188	555694662	/nfs/dbraw/zinc/69/46/62/555694662.db2.gz	RHORHKIWYWUPJT-QFIPXVFZSA-N	1	0	480.517	3.122	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccco1	ZINC000020219360	555714071	/nfs/dbraw/zinc/71/40/71/555714071.db2.gz	WGWMLCXLDFMRQL-HXUWFJFHSA-N	1	0	457.527	3.321	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000020219555	555714783	/nfs/dbraw/zinc/71/47/83/555714783.db2.gz	BVACJDMXTCZMLF-OAQYLSRUSA-N	1	0	469.538	3.028	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc([N+](=O)[O-])c3)oc21	ZINC000020219880	555716452	/nfs/dbraw/zinc/71/64/52/555716452.db2.gz	NVDNSCIQSREDCD-FQEVSTJZSA-N	1	0	465.462	3.490	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21	ZINC000020219881	555716555	/nfs/dbraw/zinc/71/65/55/555716555.db2.gz	XEQSDJHNMKJCNK-HXUWFJFHSA-N	1	0	465.462	3.490	50	30		JGEARO
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020328985	555774787	/nfs/dbraw/zinc/77/47/87/555774787.db2.gz	LETJFFNSOIBGHN-HSZRJFAPSA-N	1	0	465.550	3.054	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2	ZINC000014531749	555819255	/nfs/dbraw/zinc/81/92/55/555819255.db2.gz	KNXKHRIXKISUFR-SFHVURJKSA-N	1	0	466.479	3.347	50	30		JGEARO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)CC2)cc1	ZINC000023451164	556065610	/nfs/dbraw/zinc/06/56/10/556065610.db2.gz	YFLJIFKDTBAIBM-UHFFFAOYSA-N	1	0	466.998	3.493	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(CC)C3=O)cc1	ZINC000024147412	556123729	/nfs/dbraw/zinc/12/37/29/556123729.db2.gz	XKNLKHOIJIXMSK-MHZLTWQESA-N	1	0	477.561	3.136	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@]23c2ccccc2N(CC)C3=O)cc1	ZINC000024147854	556124068	/nfs/dbraw/zinc/12/40/68/556124068.db2.gz	IPLJFUMOONDSNM-NDEPHWFRSA-N	1	0	489.572	3.302	50	30		JGEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024192879	556125594	/nfs/dbraw/zinc/12/55/94/556125594.db2.gz	OXVMESCRWGCRAH-AREMUKBSSA-N	1	0	465.525	3.185	50	30		JGEARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)[NH+]3CCCCC3)ccc21	ZINC000013008010	556199500	/nfs/dbraw/zinc/19/95/00/556199500.db2.gz	VTNZXQVMHFWZLA-QHCPKHFHSA-N	1	0	465.985	3.486	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000019309181	556339272	/nfs/dbraw/zinc/33/92/72/556339272.db2.gz	WMUPBVXWRUMGSC-SANMLTNESA-N	1	0	465.525	3.267	50	30		JGEARO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000032777115	556492272	/nfs/dbraw/zinc/49/22/72/556492272.db2.gz	CLNXUGWHUTYLCF-JOCHJYFZSA-N	1	0	455.628	3.185	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000085412828	569710678	/nfs/dbraw/zinc/71/06/78/569710678.db2.gz	ZLWGGCJRTAFDHT-HSZRJFAPSA-N	1	0	496.560	3.395	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000101254356	569788173	/nfs/dbraw/zinc/78/81/73/569788173.db2.gz	OHIMCCGJLVANSN-FSLHIAPTSA-N	1	0	471.513	3.103	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101287495	569789481	/nfs/dbraw/zinc/78/94/81/569789481.db2.gz	LHQUBZYWNOSBNT-JBCNATCCSA-N	1	0	451.479	3.143	50	30		JGEARO
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000101313876	569792437	/nfs/dbraw/zinc/79/24/37/569792437.db2.gz	WZVZXQARPDYHBT-AYWGPLOBSA-N	1	0	464.518	3.006	50	30		JGEARO
N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cc4c(cc3Br)OCCO4)CC2)cc1	ZINC000039791505	569812073	/nfs/dbraw/zinc/81/20/73/569812073.db2.gz	YKUQCZORJQDJLL-UHFFFAOYSA-N	1	0	485.382	3.238	50	30		JGEARO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	ZINC000040108354	569816261	/nfs/dbraw/zinc/81/62/61/569816261.db2.gz	GLARCKZARVQVHE-UHFFFAOYSA-N	1	0	476.602	3.241	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1C	ZINC000102863303	569825357	/nfs/dbraw/zinc/82/53/57/569825357.db2.gz	WVRRRGLWGZWMPM-OBVHCKHUSA-N	1	0	453.539	3.100	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000103960990	569839626	/nfs/dbraw/zinc/83/96/26/569839626.db2.gz	IOOMZOGVJGKZTL-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(OC)cc2)OCO3)C1	ZINC000252441181	570080516	/nfs/dbraw/zinc/08/05/16/570080516.db2.gz	JNIQKAMZVVFCTH-ZRFNAWPJSA-N	1	0	454.499	3.004	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1F	ZINC000102483842	130137358	/nfs/dbraw/zinc/13/73/58/130137358.db2.gz	HZGWRMMLUDQLHC-OBVHCKHUSA-N	1	0	450.514	3.464	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102486278	130140348	/nfs/dbraw/zinc/14/03/48/130140348.db2.gz	HPGMZZRFEGPACG-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c1C	ZINC000102495823	130150341	/nfs/dbraw/zinc/15/03/41/130150341.db2.gz	UCBPOQGUZXANSN-QOJBNDRUSA-N	1	0	473.957	3.445	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102513086	130166775	/nfs/dbraw/zinc/16/67/75/130166775.db2.gz	HTYJWCYBRGFZCE-AYWGPLOBSA-N	1	0	490.560	3.181	50	30		JGEARO
COc1ccccc1[C@@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CC[NH+](C)C	ZINC000102527333	130179468	/nfs/dbraw/zinc/17/94/68/130179468.db2.gz	SPIHLWIPOAMLOR-ZHHPLPSFSA-N	1	0	460.534	3.173	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000102534759	130189367	/nfs/dbraw/zinc/18/93/67/130189367.db2.gz	GRGINWDIPOIWRZ-WENBPLFZSA-N	1	0	459.930	3.055	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000102535816	130190597	/nfs/dbraw/zinc/19/05/97/130190597.db2.gz	BLVGBIANYRCDCD-AYWGPLOBSA-N	1	0	468.550	3.481	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102536045	130190612	/nfs/dbraw/zinc/19/06/12/130190612.db2.gz	SKNJMVRUSLVDRL-SBXHHDGASA-N	1	0	490.560	3.181	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102708012	130254514	/nfs/dbraw/zinc/25/45/14/130254514.db2.gz	JLLGQYZXHSCVEB-ZHHPLPSFSA-N	1	0	468.550	3.474	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC(C)C)c2)c(C)n1	ZINC000102744135	130286496	/nfs/dbraw/zinc/28/64/96/130286496.db2.gz	XEVKFTCCWULUPV-HOGKFDNTSA-N	1	0	452.555	3.254	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000102746683	130288055	/nfs/dbraw/zinc/28/80/55/130288055.db2.gz	QMWOKXSHPMKWNA-HOGKFDNTSA-N	1	0	454.571	3.198	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102859161	130329455	/nfs/dbraw/zinc/32/94/55/130329455.db2.gz	ILZBAJPTJQEATO-KZVIGXRYSA-N	1	0	450.535	3.392	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000102875200	130346911	/nfs/dbraw/zinc/34/69/11/130346911.db2.gz	YUIHYFXNNFMTIT-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccc(OC)c1	ZINC000102877840	130351681	/nfs/dbraw/zinc/35/16/81/130351681.db2.gz	WFMUYYCEMUDECE-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1C	ZINC000102878303	130352077	/nfs/dbraw/zinc/35/20/77/130352077.db2.gz	ICXNOCYUORYTBX-QOJBNDRUSA-N	1	0	457.527	3.083	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c1C	ZINC000102881162	130357565	/nfs/dbraw/zinc/35/75/65/130357565.db2.gz	PEEMWILXDZDAMU-ZMESVYRVSA-N	1	0	459.930	3.055	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102925249	130395431	/nfs/dbraw/zinc/39/54/31/130395431.db2.gz	VDFDRBKYBRBTMQ-COUQNMRISA-N	1	0	478.549	3.033	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309225	518297721	/nfs/dbraw/zinc/29/77/21/518297721.db2.gz	HWNMGTQQJUNSFH-GMAHTHKFSA-N	1	0	470.635	3.284	50	30		JGEARO
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)c1=O	ZINC000015067763	518944821	/nfs/dbraw/zinc/94/48/21/518944821.db2.gz	KTTUAVITLYVCFJ-UHFFFAOYSA-N	1	0	476.621	3.489	50	30		JGEARO
C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O	ZINC000014992335	518945637	/nfs/dbraw/zinc/94/56/37/518945637.db2.gz	UJPQKEMLJOTJRO-LJQANCHMSA-N	1	0	450.583	3.130	50	30		JGEARO
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O	ZINC000012036773	518946058	/nfs/dbraw/zinc/94/60/58/518946058.db2.gz	WVMFITKOWANNHO-UHFFFAOYSA-N	1	0	462.594	3.274	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1	ZINC000036308945	518980197	/nfs/dbraw/zinc/98/01/97/518980197.db2.gz	SLITVIICMVLYNN-GBXCKJPGSA-N	1	0	486.634	3.289	50	30		JGEARO
C=CCOc1ccccc1C[NH+]1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1	ZINC000011913023	519069268	/nfs/dbraw/zinc/06/92/68/519069268.db2.gz	XSOPXJDSYGAUBN-FIPFOOKPSA-N	1	0	490.604	3.485	50	30		JGEARO
C=CCn1c2ccccc2n(CCC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)c(=O)c1=O	ZINC000033272475	519264042	/nfs/dbraw/zinc/26/40/42/519264042.db2.gz	DWGNUPLIRDMFKO-UHFFFAOYSA-N	1	0	474.605	3.076	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)c(=O)c1=O	ZINC000033106807	519266232	/nfs/dbraw/zinc/26/62/32/519266232.db2.gz	LNAKVLAXVZCLLY-UHFFFAOYSA-N	1	0	474.605	3.393	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2	ZINC000014748297	519288960	/nfs/dbraw/zinc/28/89/60/519288960.db2.gz	LEPYHHJRZHSNQN-KRWDZBQOSA-N	1	0	466.479	3.347	50	30		JGEARO
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+]([C@@H](C)CCn3cccn3)CC2)C1=O	ZINC000012218593	519342685	/nfs/dbraw/zinc/34/26/85/519342685.db2.gz	BOVOIARPIQDLGB-RXFWQSSRSA-N	1	0	465.573	3.069	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000020439051	519865873	/nfs/dbraw/zinc/86/58/73/519865873.db2.gz	OXFKHSJUXCHKAV-HHHXNRCGSA-N	1	0	473.529	3.484	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccncc1	ZINC000020267538	520602777	/nfs/dbraw/zinc/60/27/77/520602777.db2.gz	NMRKAFAUZSQTAT-JOCHJYFZSA-N	1	0	451.523	3.163	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009042437	520649135	/nfs/dbraw/zinc/64/91/35/520649135.db2.gz	ZTFKSNVMIFZHOB-OBVHCKHUSA-N	1	0	498.536	3.090	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccccc1F	ZINC000009239877	520649310	/nfs/dbraw/zinc/64/93/10/520649310.db2.gz	GHSJMBZNSIBOPG-PGVNHDJNSA-N	1	0	471.529	3.321	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009177931	520654107	/nfs/dbraw/zinc/65/41/07/520654107.db2.gz	XWWALGNXODBGDY-SELCWUDQSA-N	1	0	458.540	3.432	50	30		JGEARO
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	ZINC000009333920	521359644	/nfs/dbraw/zinc/35/96/44/521359644.db2.gz	JXGQSSFLBWLUOA-FQEVSTJZSA-N	1	0	457.502	3.087	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1C	ZINC000009275531	521360705	/nfs/dbraw/zinc/36/07/05/521360705.db2.gz	MEOGQSNSBXCEAZ-OAQYLSRUSA-N	1	0	453.539	3.257	50	30		JGEARO
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009244298	521423155	/nfs/dbraw/zinc/42/31/55/521423155.db2.gz	XVMODKPDUQNFEA-XTNNDJGYSA-N	1	0	450.535	3.392	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1	ZINC000012468067	523555989	/nfs/dbraw/zinc/55/59/89/523555989.db2.gz	MQZDXEYJKUDSMH-QFIPXVFZSA-N	1	0	484.549	3.169	50	30	biogenic	JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000009302163	524021404	/nfs/dbraw/zinc/02/14/04/524021404.db2.gz	NFKFBAGGZYZAJN-LJQANCHMSA-N	1	0	459.930	3.211	50	30		JGEARO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000016286362	525516479	/nfs/dbraw/zinc/51/64/79/525516479.db2.gz	WVWMAJVVHNAGCN-QRQCRPRQSA-N	1	0	465.506	3.448	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000009123257	525757632	/nfs/dbraw/zinc/75/76/32/525757632.db2.gz	BGWXFAYGOIPNGO-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c1	ZINC000009186472	525758702	/nfs/dbraw/zinc/75/87/02/525758702.db2.gz	VZGKLMQFLKAYJW-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)cc1	ZINC000102888336	535509399	/nfs/dbraw/zinc/50/93/99/535509399.db2.gz	JPUHGPARXYZASL-AYWGPLOBSA-N	1	0	466.534	3.317	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccncc1	ZINC000102868100	535509441	/nfs/dbraw/zinc/50/94/41/535509441.db2.gz	DDSJLAXCJCHABQ-HOGKFDNTSA-N	1	0	451.523	3.006	50	30		JGEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1	ZINC000102691967	535833770	/nfs/dbraw/zinc/83/37/70/535833770.db2.gz	PMOSOQQVMISCMF-MRJHHRETSA-N	1	0	456.926	3.485	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000102727731	536562314	/nfs/dbraw/zinc/56/23/14/536562314.db2.gz	SGICSYMFUURFCD-ZHHPLPSFSA-N	1	0	498.576	3.403	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c(OC)c1	ZINC000102752402	536563475	/nfs/dbraw/zinc/56/34/75/536563475.db2.gz	OXFLQLRLRJOXGO-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000008835966	554735496	/nfs/dbraw/zinc/73/54/96/554735496.db2.gz	COAWSEHVHNFFFP-WOOAAIBNSA-N	1	0	459.886	3.240	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000008838014	554739344	/nfs/dbraw/zinc/73/93/44/554739344.db2.gz	XEOCJRBDMGYODJ-MOBKVPTQSA-N	1	0	480.517	3.442	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008905181	554799683	/nfs/dbraw/zinc/79/96/83/554799683.db2.gz	CKPQOYJRPOOYPA-NHFXJNLRSA-N	1	0	489.366	3.450	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008914967	554808076	/nfs/dbraw/zinc/80/80/76/554808076.db2.gz	YPEONUBMSLVFMS-QFIPXVFZSA-N	1	0	452.507	3.342	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]32)cc1OC	ZINC000008918336	554814762	/nfs/dbraw/zinc/81/47/62/554814762.db2.gz	ODXRMYXJGOGYEL-LHVWDQROSA-N	1	0	473.610	3.415	50	30	biogenic	JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1C	ZINC000008988172	554850611	/nfs/dbraw/zinc/85/06/11/554850611.db2.gz	GCFCDOHFRXXSKX-HXUWFJFHSA-N	1	0	457.527	3.240	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000019957018	555572046	/nfs/dbraw/zinc/57/20/46/555572046.db2.gz	VNHHTAOMTJTVJU-OAQYLSRUSA-N	1	0	472.513	3.382	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000020029383	555604937	/nfs/dbraw/zinc/60/49/37/555604937.db2.gz	OBCZMUJVQIWVHR-DEOSSOPVSA-N	1	0	477.605	3.476	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020101752	555634322	/nfs/dbraw/zinc/63/43/22/555634322.db2.gz	QSXBWMJLKKCRDW-HXUWFJFHSA-N	1	0	468.466	3.423	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020134627	555659084	/nfs/dbraw/zinc/65/90/84/555659084.db2.gz	VWFBDRZDHVFNJZ-IBGZPJMESA-N	1	0	471.579	3.467	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccc(F)c1	ZINC000020219180	555713098	/nfs/dbraw/zinc/71/30/98/555713098.db2.gz	HPKHLVZULOMVAF-OAQYLSRUSA-N	1	0	471.529	3.477	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020229392	555719809	/nfs/dbraw/zinc/71/98/09/555719809.db2.gz	IVBULGAPTCIAME-XMMPIXPASA-N	1	0	496.560	3.395	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000020229399	555719871	/nfs/dbraw/zinc/71/98/71/555719871.db2.gz	UADBBWICHARKLZ-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccn1	ZINC000020229599	555720238	/nfs/dbraw/zinc/72/02/38/555720238.db2.gz	GLNIYFHTDIKLMA-QFIPXVFZSA-N	1	0	453.539	3.409	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000020289577	555760837	/nfs/dbraw/zinc/76/08/37/555760837.db2.gz	UBUSZKMNTKFAPV-XMMPIXPASA-N	1	0	479.577	3.444	50	30		JGEARO
Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000020310059	555768034	/nfs/dbraw/zinc/76/80/34/555768034.db2.gz	OMKRICDKCVIAEF-OAQYLSRUSA-N	1	0	453.495	3.447	50	30		JGEARO
C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCc2ccccc2)CC1	ZINC000014539646	555829691	/nfs/dbraw/zinc/82/96/91/555829691.db2.gz	BXHLMTZVDDWWAY-HSZRJFAPSA-N	1	0	464.610	3.116	50	30		JGEARO
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014540451	555830494	/nfs/dbraw/zinc/83/04/94/555830494.db2.gz	YDEFDJPBXZLGLM-UHFFFAOYSA-N	1	0	488.632	3.456	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147690	556124150	/nfs/dbraw/zinc/12/41/50/556124150.db2.gz	GTUWBXVNLWLKDZ-HHHXNRCGSA-N	1	0	477.561	3.136	50	30		JGEARO
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147694	556124155	/nfs/dbraw/zinc/12/41/55/556124155.db2.gz	GTUWBXVNLWLKDZ-MHZLTWQESA-N	1	0	477.561	3.136	50	30		JGEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024192880	556125630	/nfs/dbraw/zinc/12/56/30/556125630.db2.gz	OXVMESCRWGCRAH-SANMLTNESA-N	1	0	465.525	3.185	50	30		JGEARO
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000024192909	556125702	/nfs/dbraw/zinc/12/57/02/556125702.db2.gz	KKFJLCILGNKHBT-RUZDIDTESA-N	1	0	467.953	3.391	50	30		JGEARO
C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000032777117	556492373	/nfs/dbraw/zinc/49/23/73/556492373.db2.gz	CLNXUGWHUTYLCF-QFIPXVFZSA-N	1	0	455.628	3.185	50	30		JGEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000101297230	569790111	/nfs/dbraw/zinc/79/01/11/569790111.db2.gz	VRFAQACSPXDKOR-COUQNMRISA-N	1	0	495.576	3.356	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102857103	569824523	/nfs/dbraw/zinc/82/45/23/569824523.db2.gz	LSXHRAKOEKIUKL-AYWGPLOBSA-N	1	0	460.534	3.173	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102856599	569824628	/nfs/dbraw/zinc/82/46/28/569824628.db2.gz	FJRHSJYGOQTIQS-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C1CC1	ZINC000105004318	569849575	/nfs/dbraw/zinc/84/95/75/569849575.db2.gz	SYXUAWAYZRJXFY-QPPBQGQZSA-N	1	0	468.619	3.036	50	30		JGEARO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217596525	569880416	/nfs/dbraw/zinc/88/04/16/569880416.db2.gz	GTAAQHYWQCKRKT-MRESPNAKSA-N	1	0	461.587	3.335	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000245279952	570061645	/nfs/dbraw/zinc/06/16/45/570061645.db2.gz	KXOLJZSHTFUBBX-PZJWPPBQSA-N	1	0	474.623	3.147	50	30		JGEARO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000248217241	570076202	/nfs/dbraw/zinc/07/62/02/570076202.db2.gz	GTAAQHYWQCKRKT-OJZVVMIASA-N	1	0	461.587	3.335	50	30		JGEARO
CCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N@+](C)(CC(=O)OC)C4)OCO3)cc1OC	ZINC000253390587	570095743	/nfs/dbraw/zinc/09/57/43/570095743.db2.gz	XZJFUHGPHLJXLY-UQJBAWBLSA-N	1	0	498.552	3.403	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1OC	ZINC000253487691	570099842	/nfs/dbraw/zinc/09/98/42/570099842.db2.gz	ODXRMYXJGOGYEL-OZMPTSGRSA-N	1	0	473.610	3.415	50	30		JGEARO
CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1	ZINC000012845871	195152144	/nfs/dbraw/zinc/15/21/44/195152144.db2.gz	WPUDKFQXNFYJNT-UHFFFAOYSA-N	1	0	468.623	3.117	50	30		JGEARO
C[C@@H]1CC[C@H]2[C@H](C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000020609737	195182767	/nfs/dbraw/zinc/18/27/67/195182767.db2.gz	WANWSAWPRCZBGT-CYBUKMJSSA-N	1	0	468.594	3.058	50	30	biogenic	JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000102497093	130151163	/nfs/dbraw/zinc/15/11/63/130151163.db2.gz	IIYKNMYFXVBZRI-ZHHPLPSFSA-N	1	0	489.532	3.462	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102533394	130186983	/nfs/dbraw/zinc/18/69/83/130186983.db2.gz	XNGYFZKVICOKIS-WOOAAIBNSA-N	1	0	459.568	3.151	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102533456	130187415	/nfs/dbraw/zinc/18/74/15/130187415.db2.gz	KQUJKCABQLLIGJ-SELCWUDQSA-N	1	0	459.568	3.151	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102535208	130189852	/nfs/dbraw/zinc/18/98/52/130189852.db2.gz	PTABZDRHFCJEQH-IAMBOQNYSA-N	1	0	478.549	3.033	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC	ZINC000102541464	130197263	/nfs/dbraw/zinc/19/72/63/130197263.db2.gz	OVNXQJINXJJFTA-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102562902	130210759	/nfs/dbraw/zinc/21/07/59/130210759.db2.gz	ZMXWEIFBEAYSDJ-ZHHPLPSFSA-N	1	0	468.550	3.474	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102691092	130238306	/nfs/dbraw/zinc/23/83/06/130238306.db2.gz	PURYUGLZZFWRDF-LFVOPCPISA-N	1	0	460.552	3.147	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102708007	130254494	/nfs/dbraw/zinc/25/44/94/130254494.db2.gz	JLLGQYZXHSCVEB-AYWGPLOBSA-N	1	0	468.550	3.474	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102731318	130275265	/nfs/dbraw/zinc/27/52/65/130275265.db2.gz	ZMPASAVHQVXWHP-YDJIHCHBSA-N	1	0	458.511	3.069	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)c(C)n1	ZINC000102752491	130291065	/nfs/dbraw/zinc/29/10/65/130291065.db2.gz	FSTKFOHUWYYSAR-HOGKFDNTSA-N	1	0	452.555	3.254	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC(C)C)cc2)c(C)n1	ZINC000102752487	130291130	/nfs/dbraw/zinc/29/11/30/130291130.db2.gz	FSTKFOHUWYYSAR-MOBKVPTQSA-N	1	0	452.555	3.254	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102880299	130355823	/nfs/dbraw/zinc/35/58/23/130355823.db2.gz	QMLJGJYFKRFFPT-HFEWCJDKSA-N	1	0	462.550	3.333	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c(OC)c1	ZINC000102885662	130366621	/nfs/dbraw/zinc/36/66/21/130366621.db2.gz	IGPKCNSFNKSPMU-AYWGPLOBSA-N	1	0	468.550	3.474	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(F)c1	ZINC000102927409	130399666	/nfs/dbraw/zinc/39/96/66/130399666.db2.gz	KQABZEQNPGSTAQ-PGVNHDJNSA-N	1	0	450.514	3.464	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1	ZINC000036307468	518300025	/nfs/dbraw/zinc/30/00/25/518300025.db2.gz	YCDDDKLKDCDYNA-QFIPXVFZSA-N	1	0	467.541	3.478	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1	ZINC000036309664	518308594	/nfs/dbraw/zinc/30/85/94/518308594.db2.gz	GRFHHHOFHXVAMO-QPPBQGQZSA-N	1	0	486.609	3.115	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1	ZINC000036306039	518308868	/nfs/dbraw/zinc/30/88/68/518308868.db2.gz	NIVSHJCGUICLEQ-JOCHJYFZSA-N	1	0	479.577	3.347	50	30		JGEARO
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1	ZINC000033033506	518769084	/nfs/dbraw/zinc/76/90/84/518769084.db2.gz	ZMBXIHQJADZIAI-UHFFFAOYSA-N	1	0	454.596	3.020	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000009243380	519010412	/nfs/dbraw/zinc/01/04/12/519010412.db2.gz	DHMIHSIXDOFCIH-ZHHPLPSFSA-N	1	0	496.560	3.261	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2)c(=O)c1=O	ZINC000033272781	519265797	/nfs/dbraw/zinc/26/57/97/519265797.db2.gz	LLFWXTBSWLBUHH-NRFANRHFSA-N	1	0	474.605	3.249	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)c(=O)c1=O	ZINC000033272774	519265960	/nfs/dbraw/zinc/26/59/60/519265960.db2.gz	HLOOBOUSMCYBML-OAQYLSRUSA-N	1	0	474.605	3.392	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2	ZINC000014747038	519289127	/nfs/dbraw/zinc/28/91/27/519289127.db2.gz	HIQJRNVSQIVDMA-LJQANCHMSA-N	1	0	461.532	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009110311	520651486	/nfs/dbraw/zinc/65/14/86/520651486.db2.gz	RXOFMVHHFJMQIW-MRJHHRETSA-N	1	0	453.495	3.367	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000009354009	520781334	/nfs/dbraw/zinc/78/13/34/520781334.db2.gz	UKOPTYBCQZJECC-MOBKVPTQSA-N	1	0	454.523	3.091	50	30		JGEARO
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	ZINC000009176747	521361515	/nfs/dbraw/zinc/36/15/15/521361515.db2.gz	NGFWYHGSUGMOOI-HXUWFJFHSA-N	1	0	457.502	3.087	50	30		JGEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020393586	521730852	/nfs/dbraw/zinc/73/08/52/521730852.db2.gz	XPGMWLDIOGQWAO-MHZLTWQESA-N	1	0	473.529	3.484	50	30		JGEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020393583	521731077	/nfs/dbraw/zinc/73/10/77/521731077.db2.gz	XPGMWLDIOGQWAO-HHHXNRCGSA-N	1	0	473.529	3.484	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009312128	522161847	/nfs/dbraw/zinc/16/18/47/522161847.db2.gz	BUEGZLXPAHQKFY-QMHKHESXSA-N	1	0	478.545	3.327	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009312125	522171839	/nfs/dbraw/zinc/17/18/39/522171839.db2.gz	BUEGZLXPAHQKFY-MWTRTKDXSA-N	1	0	478.545	3.327	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F	ZINC000016248110	523553331	/nfs/dbraw/zinc/55/33/31/523553331.db2.gz	ZJMKFFUTJRFNFV-HXUWFJFHSA-N	1	0	457.458	3.273	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000016713897	523553768	/nfs/dbraw/zinc/55/37/68/523553768.db2.gz	HSUGOUGRFCALIO-OAQYLSRUSA-N	1	0	453.495	3.442	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000017162325	523556673	/nfs/dbraw/zinc/55/66/73/523556673.db2.gz	PHRLYEOPEOAOLK-QFIPXVFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(C[N@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1OC	ZINC000035485107	524012082	/nfs/dbraw/zinc/01/20/82/524012082.db2.gz	ODXRMYXJGOGYEL-BKTREVCCSA-N	1	0	473.610	3.415	50	30	biogenic	JGEARO
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	ZINC000009073455	524021349	/nfs/dbraw/zinc/02/13/49/524021349.db2.gz	WEOKQJADITWZGO-FQEVSTJZSA-N	1	0	457.502	3.087	50	30		JGEARO
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000012468565	524743496	/nfs/dbraw/zinc/74/34/96/524743496.db2.gz	ORFBBUNQFOGLNB-JOCHJYFZSA-N	1	0	462.550	3.490	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009069020	524910300	/nfs/dbraw/zinc/91/03/00/524910300.db2.gz	JEAPAEQZDRYMQJ-IBGZPJMESA-N	1	0	459.568	3.307	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000102727728	536560981	/nfs/dbraw/zinc/56/09/81/536560981.db2.gz	SGICSYMFUURFCD-AYWGPLOBSA-N	1	0	498.576	3.403	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000102882353	536561030	/nfs/dbraw/zinc/56/10/30/536561030.db2.gz	KYVVUZBLPZTJTR-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000102697142	536884330	/nfs/dbraw/zinc/88/43/30/536884330.db2.gz	LZZMAVFOKYCRTN-AYWGPLOBSA-N	1	0	498.576	3.483	50	30		JGEARO
CCCCCn1cc[n+](C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1	ZINC000002228192	554104095	/nfs/dbraw/zinc/10/40/95/554104095.db2.gz	CVWXODFBKWPROK-UHFFFAOYSA-O	1	0	450.540	3.192	50	30		JGEARO
O=C1c2ccccc2C(=O)C([n+]2ccc(-c3ccncc3)cc2)=C1NS(=O)(=O)c1ccccc1	ZINC000006072760	554501407	/nfs/dbraw/zinc/50/14/07/554501407.db2.gz	OFFDNYWDKDYBTB-UHFFFAOYSA-O	1	0	468.514	3.262	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000008838205	554739525	/nfs/dbraw/zinc/73/95/25/554739525.db2.gz	LMSIXBBHWMTJHU-JOCHJYFZSA-N	1	0	478.549	3.190	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008905219	554799698	/nfs/dbraw/zinc/79/96/98/554799698.db2.gz	KUCLARZQYSZWCL-MRJHHRETSA-N	1	0	450.491	3.433	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008982868	554847484	/nfs/dbraw/zinc/84/74/84/554847484.db2.gz	YQYQOFYOHYDQAL-ZHHPLPSFSA-N	1	0	484.549	3.094	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000008987056	554849761	/nfs/dbraw/zinc/84/97/61/554849761.db2.gz	BEAVVXXONJVHRW-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008996740	554857829	/nfs/dbraw/zinc/85/78/29/554857829.db2.gz	XHVVHORJPFUBJO-MOBKVPTQSA-N	1	0	484.549	3.094	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)c1	ZINC000008996797	554857963	/nfs/dbraw/zinc/85/79/63/554857963.db2.gz	JWNRBMJBXHCRLQ-WOOAAIBNSA-N	1	0	459.340	3.441	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000013582835	555520544	/nfs/dbraw/zinc/52/05/44/555520544.db2.gz	FXTKERIRSGENCJ-NRFANRHFSA-N	1	0	453.495	3.442	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)c(C)n1	ZINC000013733723	555605092	/nfs/dbraw/zinc/60/50/92/555605092.db2.gz	DOSXEJUHMPVMQS-JOCHJYFZSA-N	1	0	452.555	3.411	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000020029629	555605206	/nfs/dbraw/zinc/60/52/06/555605206.db2.gz	WFZPIAGQJYRPFE-QFIPXVFZSA-N	1	0	454.523	3.248	50	30		JGEARO
Cc1ccc(S(=O)(=O)NC2=C([n+]3ccn(Cc4ccccc4)c3)C(=O)c3ccccc3C2=O)cc1	ZINC000013810171	555625207	/nfs/dbraw/zinc/62/52/07/555625207.db2.gz	WSIUAOGSFRZZHX-UHFFFAOYSA-O	1	0	484.557	3.359	50	30		JGEARO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000020112177	555649215	/nfs/dbraw/zinc/64/92/15/555649215.db2.gz	CBFIGQHHGJBHAY-QMNIERMISA-N	1	0	468.594	3.058	50	30	biogenic	JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000020134043	555658466	/nfs/dbraw/zinc/65/84/66/555658466.db2.gz	VXASEKTUPOKLSY-QFIPXVFZSA-N	1	0	484.549	3.251	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1OC	ZINC000020188295	555690531	/nfs/dbraw/zinc/69/05/31/555690531.db2.gz	HDBLAVPGFNXXBU-JOCHJYFZSA-N	1	0	484.549	3.251	50	30		JGEARO
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020193171	555694577	/nfs/dbraw/zinc/69/45/77/555694577.db2.gz	KPTCVEWBEKATRF-QFIPXVFZSA-N	1	0	450.491	3.120	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccccc1OC	ZINC000020219173	555713069	/nfs/dbraw/zinc/71/30/69/555713069.db2.gz	XCKQPDSVMYISPO-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccco1	ZINC000020219359	555714067	/nfs/dbraw/zinc/71/40/67/555714067.db2.gz	WGWMLCXLDFMRQL-FQEVSTJZSA-N	1	0	457.527	3.321	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219703	555715560	/nfs/dbraw/zinc/71/55/60/555715560.db2.gz	CHZJUOFJYHRARG-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccc(OC)c1	ZINC000020219724	555715828	/nfs/dbraw/zinc/71/58/28/555715828.db2.gz	RBLALUABROLTOK-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219878	555716437	/nfs/dbraw/zinc/71/64/37/555716437.db2.gz	PVNWDVVPKLTOPS-OAQYLSRUSA-N	1	0	478.501	3.368	50	30	biogenic	JGEARO
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020229104	555719765	/nfs/dbraw/zinc/71/97/65/555719765.db2.gz	MTNCHMVOXIZPAQ-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020234293	555725919	/nfs/dbraw/zinc/72/59/19/555725919.db2.gz	BXYSJOUTSKZXFD-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000020281804	555752543	/nfs/dbraw/zinc/75/25/43/555752543.db2.gz	YMGGLBLGNVSACZ-DEOSSOPVSA-N	1	0	463.578	3.266	50	30		JGEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000020352254	555780315	/nfs/dbraw/zinc/78/03/15/555780315.db2.gz	XOWMPOFWFILYHM-HPGBDJQBSA-N	1	0	489.572	3.061	50	30		JGEARO
COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2ccc(C#CC(C)(C)O)cc2)CC3)cc1	ZINC000014538760	555828327	/nfs/dbraw/zinc/82/83/27/555828327.db2.gz	GXMLMJFWGYVVKN-UHFFFAOYSA-N	1	0	489.616	3.289	50	30		JGEARO
CN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Br)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147796	556124072	/nfs/dbraw/zinc/12/40/72/556124072.db2.gz	VUJUNZPFOUJWBV-XMMPIXPASA-N	1	0	498.377	3.110	50	30		JGEARO
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024193088	556126271	/nfs/dbraw/zinc/12/62/71/556126271.db2.gz	FNARNULUIXCBAL-HHHXNRCGSA-N	1	0	477.561	3.054	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F	ZINC000016729465	556154950	/nfs/dbraw/zinc/15/49/50/556154950.db2.gz	UUBRFPCDEQMCIE-FQEVSTJZSA-N	1	0	457.458	3.273	50	30		JGEARO
COc1ccccc1[C@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CC[NH+](C)C	ZINC000016945438	556182921	/nfs/dbraw/zinc/18/29/21/556182921.db2.gz	LZOPWGVBULFLJB-QHCPKHFHSA-N	1	0	460.534	3.329	50	30		JGEARO
COc1ccc(CC[N@H+](C)CC(=O)N(C)[C@](C)(C#N)c2ccc(OC)c(OC)c2)cc1OC	ZINC000025560855	556221510	/nfs/dbraw/zinc/22/15/10/556221510.db2.gz	FYWWSGJTIMIHRV-RUZDIDTESA-N	1	0	455.555	3.093	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000017147636	556226774	/nfs/dbraw/zinc/22/67/74/556226774.db2.gz	LROIVJIKLBFUHT-HSZRJFAPSA-N	1	0	460.534	3.329	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000017194557	556237678	/nfs/dbraw/zinc/23/76/78/556237678.db2.gz	FQSJMABHZCUCGZ-JOCHJYFZSA-N	1	0	454.523	3.248	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013127277	556343107	/nfs/dbraw/zinc/34/31/07/556343107.db2.gz	URIMHICMOGQZMJ-JOCHJYFZSA-N	1	0	462.550	3.490	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(OC)cc1	ZINC000013127533	556343788	/nfs/dbraw/zinc/34/37/88/556343788.db2.gz	OWHZRLLSWCMPMW-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCOC(=O)N1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1	ZINC000008682871	562951610	/nfs/dbraw/zinc/95/16/10/562951610.db2.gz	RHYXKXKUDZTGNB-UHFFFAOYSA-N	1	0	470.643	3.377	50	30		JGEARO
C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1	ZINC000034677100	569641756	/nfs/dbraw/zinc/64/17/56/569641756.db2.gz	LGVLHQXMYGLEGF-IBGZPJMESA-N	1	0	466.504	3.068	50	30		JGEARO
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@H]1C2	ZINC000082053599	569707934	/nfs/dbraw/zinc/70/79/34/569707934.db2.gz	HKCGPXDYAIWCMR-BKTREVCCSA-N	1	0	468.594	3.060	50	30	biogenic	JGEARO
CN1CC[NH+](CCCCN2C(=O)CN(N=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)CC1	ZINC000095099969	569721638	/nfs/dbraw/zinc/72/16/38/569721638.db2.gz	OUJPNEZOWSXLPI-XYGWBWBKSA-N	1	0	457.962	3.226	50	30		JGEARO
CC[NH+]=C(NCCc1ccc(OC)c(OC)c1)S[C@H]1CC(=O)N(c2ccccc2F)C1=O	ZINC000100079240	569752581	/nfs/dbraw/zinc/75/25/81/569752581.db2.gz	CCWAZUDJXXWRCT-FQEVSTJZSA-N	1	0	459.543	3.416	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000101287895	569789669	/nfs/dbraw/zinc/78/96/69/569789669.db2.gz	JXCGYAIEMRZDPU-HOGKFDNTSA-N	1	0	466.534	3.252	50	30		JGEARO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000101313874	569792393	/nfs/dbraw/zinc/79/23/93/569792393.db2.gz	WZVZXQARPDYHBT-ZHHPLPSFSA-N	1	0	464.518	3.006	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101928215	569808013	/nfs/dbraw/zinc/80/80/13/569808013.db2.gz	ZMLVUHQJOAEWGD-JBCNATCCSA-N	1	0	453.495	3.365	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(O)c1	ZINC000102932439	569828880	/nfs/dbraw/zinc/82/88/80/569828880.db2.gz	RGHJXEPUFOXCIQ-LEQIOXTRSA-N	1	0	450.535	3.479	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(O)c1	ZINC000102932442	569828884	/nfs/dbraw/zinc/82/88/84/569828884.db2.gz	RGHJXEPUFOXCIQ-KZVIGXRYSA-N	1	0	450.535	3.479	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)CC1CC1	ZINC000105004323	569849703	/nfs/dbraw/zinc/84/97/03/569849703.db2.gz	NYBCUTXORVEASF-RDGATRHJSA-N	1	0	482.646	3.284	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1	ZINC000230112012	570045068	/nfs/dbraw/zinc/04/50/68/570045068.db2.gz	LCIQZVVHSTZSFY-HYBUGGRVSA-N	1	0	486.634	3.289	50	30		JGEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C	ZINC000245281414	570062335	/nfs/dbraw/zinc/06/23/35/570062335.db2.gz	ZAMGELGGVNXPMM-ZJSXRUAMSA-N	1	0	470.635	3.282	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1	ZINC000245326651	570064982	/nfs/dbraw/zinc/06/49/82/570064982.db2.gz	GRFHHHOFHXVAMO-ZJSXRUAMSA-N	1	0	486.609	3.115	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009373806	124122811	/nfs/dbraw/zinc/12/28/11/124122811.db2.gz	SSZCWXFLVOBMJC-AYWGPLOBSA-N	1	0	466.534	3.230	50	30		JGEARO
CCOc1ccc(/C=N/n2cnc3ccccc3c2=O)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000002945941	194175989	/nfs/dbraw/zinc/17/59/89/194175989.db2.gz	ZHZVHMRKLZSBPA-VYYZKHBXSA-N	1	0	495.583	3.458	50	30	biogenic	JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102484482	130138469	/nfs/dbraw/zinc/13/84/69/130138469.db2.gz	ZRCZFZVKZZTDOJ-HFEWCJDKSA-N	1	0	492.576	3.342	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102487318	130141470	/nfs/dbraw/zinc/14/14/70/130141470.db2.gz	WINTZLVORRSWAM-KZVIGXRYSA-N	1	0	478.545	3.170	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000102497084	130151115	/nfs/dbraw/zinc/15/11/15/130151115.db2.gz	IIYKNMYFXVBZRI-AYWGPLOBSA-N	1	0	489.532	3.462	50	30		JGEARO
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000102497470	130151636	/nfs/dbraw/zinc/15/16/36/130151636.db2.gz	RCKDVCOZMOXFHF-IAMBOQNYSA-N	1	0	462.550	3.333	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1C	ZINC000102501691	130155861	/nfs/dbraw/zinc/15/58/61/130155861.db2.gz	PKOANLSTNAJHGA-PGVNHDJNSA-N	1	0	453.539	3.100	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccccc1	ZINC000102538547	130193092	/nfs/dbraw/zinc/19/30/92/130193092.db2.gz	WBHCHDRRDIJTOA-PGVNHDJNSA-N	1	0	453.539	3.182	50	30		JGEARO
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1	ZINC000102641413	130228523	/nfs/dbraw/zinc/22/85/23/130228523.db2.gz	DEQFKPWVHDTFIW-AYWGPLOBSA-N	1	0	459.502	3.475	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000102714614	130260890	/nfs/dbraw/zinc/26/08/90/130260890.db2.gz	WLMKTVXANSWENJ-JBCNATCCSA-N	1	0	472.513	3.225	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102749936	130289616	/nfs/dbraw/zinc/28/96/16/130289616.db2.gz	BIYYZDQVVDLGGB-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)c1C	ZINC000102878300	130352124	/nfs/dbraw/zinc/35/21/24/130352124.db2.gz	ICXNOCYUORYTBX-ASBZNUFUSA-N	1	0	457.527	3.083	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102926888	130398708	/nfs/dbraw/zinc/39/87/08/130398708.db2.gz	PLQPIKGNRUWLBS-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F	ZINC000036306727	518307068	/nfs/dbraw/zinc/30/70/68/518307068.db2.gz	HSVUPFWYJVZIPB-OAQYLSRUSA-N	1	0	467.541	3.478	50	30		JGEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1cccs1)C[N@@H+](C)[C@]21c2cc(OC)ccc2N(C)C1=O	ZINC000043732524	518848887	/nfs/dbraw/zinc/84/88/87/518848887.db2.gz	KRPQOPDMBHSFMP-UZFJHSOTSA-N	1	0	485.656	3.443	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309964	518981109	/nfs/dbraw/zinc/98/11/09/518981109.db2.gz	JBQAMWZGENBMRA-UNMCSNQZSA-N	1	0	458.624	3.447	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009414135	519008738	/nfs/dbraw/zinc/00/87/38/519008738.db2.gz	ZLZDTYOHNNOHHQ-ZHHPLPSFSA-N	1	0	466.534	3.339	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000020191381	519021412	/nfs/dbraw/zinc/02/14/12/519021412.db2.gz	OMKVYNGYVCFSPW-QFIPXVFZSA-N	1	0	466.534	3.409	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2	ZINC000014732843	519288187	/nfs/dbraw/zinc/28/81/87/519288187.db2.gz	QEUGLZOXCKSASI-KRWDZBQOSA-N	1	0	464.488	3.087	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2	ZINC000014733589	519288226	/nfs/dbraw/zinc/28/82/26/519288226.db2.gz	HURCVOZJDNBGIS-GOSISDBHSA-N	1	0	461.532	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccs1	ZINC000009043820	520649190	/nfs/dbraw/zinc/64/91/90/520649190.db2.gz	DDLQZWLJPRHMOK-WENBPLFZSA-N	1	0	459.568	3.243	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000016265861	520773968	/nfs/dbraw/zinc/77/39/68/520773968.db2.gz	KJCPLDSKENJRNB-JOCHJYFZSA-N	1	0	472.513	3.469	50	30		JGEARO
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000009329156	521730846	/nfs/dbraw/zinc/73/08/46/521730846.db2.gz	NKZUSWOGQKHUJX-FSLHIAPTSA-N	1	0	473.529	3.327	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009177731	522162378	/nfs/dbraw/zinc/16/23/78/522162378.db2.gz	DIPKDXCXKNXNNT-JOCHJYFZSA-N	1	0	490.560	3.268	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000016731321	522162797	/nfs/dbraw/zinc/16/27/97/522162797.db2.gz	QKPBYCUDWCORII-OAQYLSRUSA-N	1	0	470.497	3.151	50	30		JGEARO
COC(=O)c1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009177616	522166172	/nfs/dbraw/zinc/16/61/72/522166172.db2.gz	FPWHSKOFBHWKSR-GOSISDBHSA-N	1	0	457.552	3.077	50	30		JGEARO
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000016731318	522171853	/nfs/dbraw/zinc/17/18/53/522171853.db2.gz	QKPBYCUDWCORII-NRFANRHFSA-N	1	0	470.497	3.151	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC	ZINC000016735073	522919639	/nfs/dbraw/zinc/91/96/39/522919639.db2.gz	IGRVDCVTTMGXMO-NPMXOYFQSA-N	1	0	496.560	3.176	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000009235514	522920136	/nfs/dbraw/zinc/92/01/36/522920136.db2.gz	FWAIBZLWTSVTOF-LJQANCHMSA-N	1	0	489.594	3.316	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000009373744	522955021	/nfs/dbraw/zinc/95/50/21/522955021.db2.gz	NMTAEKLGDCGKJN-QFIPXVFZSA-N	1	0	454.523	3.328	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1OC	ZINC000009241420	523371731	/nfs/dbraw/zinc/37/17/31/523371731.db2.gz	XKWZYKRVJXQWRO-MOBKVPTQSA-N	1	0	484.549	3.094	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009360859	523372854	/nfs/dbraw/zinc/37/28/54/523372854.db2.gz	UFGGUWYYMXAGSH-WOOAAIBNSA-N	1	0	459.340	3.441	50	30		JGEARO
COc1ccc(/C=C2\Oc3c(c(C)c(C[NH+](C)C)c([O-])c3C[NH+](C)C)C2=O)c(OC)c1OC	ZINC000011865247	523420231	/nfs/dbraw/zinc/42/02/31/523420231.db2.gz	SVTQYDQSNWOEED-ODLFYWEKSA-N	1	0	456.539	3.466	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000016713899	523552517	/nfs/dbraw/zinc/55/25/17/523552517.db2.gz	HSUGOUGRFCALIO-NRFANRHFSA-N	1	0	453.495	3.442	50	30		JGEARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)[NH+]3CCCC3)ccc21	ZINC000008964112	523999137	/nfs/dbraw/zinc/99/91/37/523999137.db2.gz	RGNHAXQTSFNGOY-QFIPXVFZSA-N	1	0	451.958	3.096	50	30		JGEARO
COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc(C#CC(C)(C)O)cc4)CC3)C2=O)cc1	ZINC000014746547	524019117	/nfs/dbraw/zinc/01/91/17/524019117.db2.gz	LOOKODZVUKQBAT-UHFFFAOYSA-N	1	0	475.589	3.246	50	30		JGEARO
CN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000022575076	524055174	/nfs/dbraw/zinc/05/51/74/524055174.db2.gz	OFKPLTXDFYBXFD-DEOSSOPVSA-N	1	0	453.926	3.001	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000009270722	524104631	/nfs/dbraw/zinc/10/46/31/524104631.db2.gz	JPEKRPZFFWUSGZ-JBCNATCCSA-N	1	0	450.491	3.433	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000009186812	525218220	/nfs/dbraw/zinc/21/82/20/525218220.db2.gz	FNONTBYGZLWTFY-HSZRJFAPSA-N	1	0	492.576	3.498	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)c1	ZINC000020132417	525783384	/nfs/dbraw/zinc/78/33/84/525783384.db2.gz	ZOAZESRPYZDNBA-NRFANRHFSA-N	1	0	454.523	3.242	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000102701711	534968074	/nfs/dbraw/zinc/96/80/74/534968074.db2.gz	NTMSZQHUHVDLNW-MOBKVPTQSA-N	1	0	452.507	3.186	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102897112	535284690	/nfs/dbraw/zinc/28/46/90/535284690.db2.gz	PBJQDSWLIFVCTQ-NXLSWJSLSA-N	1	0	496.560	3.239	50	30		JGEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1	ZINC000102691963	535833135	/nfs/dbraw/zinc/83/31/35/535833135.db2.gz	PMOSOQQVMISCMF-JBCNATCCSA-N	1	0	456.926	3.485	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837630	554738679	/nfs/dbraw/zinc/73/86/79/554738679.db2.gz	UTROAOJQMAMUFQ-IAMBOQNYSA-N	1	0	477.521	3.314	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000008837707	554738785	/nfs/dbraw/zinc/73/87/85/554738785.db2.gz	FXTKERIRSGENCJ-OAQYLSRUSA-N	1	0	453.495	3.442	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000008838263	554739886	/nfs/dbraw/zinc/73/98/86/554739886.db2.gz	LMSDDSHTCLUVLF-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000009007843	554861254	/nfs/dbraw/zinc/86/12/54/554861254.db2.gz	NBZCETKTIYDGIZ-OAQYLSRUSA-N	1	0	453.495	3.442	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000019957014	555571903	/nfs/dbraw/zinc/57/19/03/555571903.db2.gz	VNHHTAOMTJTVJU-NRFANRHFSA-N	1	0	472.513	3.382	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c(OC)c1	ZINC000013734216	555605512	/nfs/dbraw/zinc/60/55/12/555605512.db2.gz	JAUJBQLSSJOLAJ-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000020134040	555658481	/nfs/dbraw/zinc/65/84/81/555658481.db2.gz	VXASEKTUPOKLSY-JOCHJYFZSA-N	1	0	484.549	3.251	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000020150013	555666012	/nfs/dbraw/zinc/66/60/12/555666012.db2.gz	BZOZWYDQRJDCQW-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020191105	555692134	/nfs/dbraw/zinc/69/21/34/555692134.db2.gz	YHFAGRLEDWOHTD-QHCPKHFHSA-N	1	0	484.549	3.251	50	30		JGEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020192133	555693241	/nfs/dbraw/zinc/69/32/41/555693241.db2.gz	CGGWJNBOGODMOB-HSZRJFAPSA-N	1	0	464.518	3.163	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000020193050	555693984	/nfs/dbraw/zinc/69/39/84/555693984.db2.gz	FZQFFFWBBNAQHM-QFIPXVFZSA-N	1	0	482.533	3.005	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020193182	555694625	/nfs/dbraw/zinc/69/46/25/555694625.db2.gz	JKSQJDANYDWVOH-NRFANRHFSA-N	1	0	467.478	3.244	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000020219337	555713735	/nfs/dbraw/zinc/71/37/35/555713735.db2.gz	UAEITSMCKNXLER-DEOSSOPVSA-N	1	0	496.560	3.395	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000020219616	555715158	/nfs/dbraw/zinc/71/51/58/555715158.db2.gz	LKGTWPUXNUSIGH-QHCPKHFHSA-N	1	0	490.560	3.349	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccs1	ZINC000020219720	555715466	/nfs/dbraw/zinc/71/54/66/555715466.db2.gz	ACUWOZXOPCDCJW-LJQANCHMSA-N	1	0	459.568	3.400	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020219705	555715501	/nfs/dbraw/zinc/71/55/01/555715501.db2.gz	LCOYCISDPORLDN-NRFANRHFSA-N	1	0	498.536	3.246	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219704	555715574	/nfs/dbraw/zinc/71/55/74/555715574.db2.gz	CHZJUOFJYHRARG-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1	ZINC000020227852	555718375	/nfs/dbraw/zinc/71/83/75/555718375.db2.gz	IMDFIYFOGZIAQL-FQEVSTJZSA-N	1	0	487.350	3.360	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000020229390	555719796	/nfs/dbraw/zinc/71/97/96/555719796.db2.gz	IVBULGAPTCIAME-DEOSSOPVSA-N	1	0	496.560	3.395	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1	ZINC000020292880	555762365	/nfs/dbraw/zinc/76/23/65/555762365.db2.gz	INKRYYZVXVSRHO-QFIPXVFZSA-N	1	0	451.523	3.163	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2	ZINC000014540465	555830749	/nfs/dbraw/zinc/83/07/49/555830749.db2.gz	OQGQWGQCPNZMHI-LJQANCHMSA-N	1	0	463.607	3.312	50	30		JGEARO
C[NH+](C)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1C#N	ZINC000012421300	555978872	/nfs/dbraw/zinc/97/88/72/555978872.db2.gz	SAPSLCWMOHEAGE-UHFFFAOYSA-N	1	0	465.579	3.324	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147515	556124094	/nfs/dbraw/zinc/12/40/94/556124094.db2.gz	HBMQXAGSUVTHPZ-NDEPHWFRSA-N	1	0	489.572	3.302	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000017145647	556225622	/nfs/dbraw/zinc/22/56/22/556225622.db2.gz	JIUFUTDRZCZYSC-JOCHJYFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC[N@@H+](C)CCOC)c1	ZINC000032915162	556538770	/nfs/dbraw/zinc/53/87/70/556538770.db2.gz	QPJGWGNVODUZSZ-UHFFFAOYSA-N	1	0	480.030	3.419	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1	ZINC000034682289	569643890	/nfs/dbraw/zinc/64/38/90/569643890.db2.gz	ZUUKGHCNQVAUFL-OAQYLSRUSA-N	1	0	478.515	3.428	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+]2CCCC2)cc2c1OCO2	ZINC000096335811	569740183	/nfs/dbraw/zinc/74/01/83/569740183.db2.gz	AWPLLYCQIDJLKK-IBGZPJMESA-N	1	0	456.520	3.160	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102874710	569826113	/nfs/dbraw/zinc/82/61/13/569826113.db2.gz	UMQPHUIDFWZNKS-PGVNHDJNSA-N	1	0	477.521	3.233	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102931524	569828462	/nfs/dbraw/zinc/82/84/62/569828462.db2.gz	JWUPOYNUUZIJRT-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
C=CCN1C(=S)S[C@@]2(C1=O)[C@H](c1ccccc1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000226818403	570038748	/nfs/dbraw/zinc/03/87/48/570038748.db2.gz	WIXGEDWAWMYIHU-QTLGCAHFSA-N	1	0	479.627	3.381	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)CC1CC1	ZINC000230111657	570044999	/nfs/dbraw/zinc/04/49/99/570044999.db2.gz	NYBCUTXORVEASF-RCZVLFRGSA-N	1	0	482.646	3.284	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000245279953	570061760	/nfs/dbraw/zinc/06/17/60/570061760.db2.gz	KXOLJZSHTFUBBX-TZIWHRDSSA-N	1	0	474.623	3.147	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C	ZINC000245328340	570065730	/nfs/dbraw/zinc/06/57/30/570065730.db2.gz	NPFJBKPMNWFJJU-FYYLOGMGSA-N	1	0	470.635	3.202	50	30		JGEARO
C#CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C1CC1	ZINC000245329634	570066290	/nfs/dbraw/zinc/06/62/90/570066290.db2.gz	ULNLPZNHMKNNGD-NFBKMPQASA-N	1	0	489.037	3.381	50	30		JGEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cccc(OC)c2)OCO3)C1	ZINC000252441318	570080489	/nfs/dbraw/zinc/08/04/89/570080489.db2.gz	PUHLJWSHZZYPOK-MXINKLCTSA-N	1	0	454.499	3.004	50	30		JGEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cccc(OC)c2)OCO3)C1	ZINC000252441319	570080502	/nfs/dbraw/zinc/08/05/02/570080502.db2.gz	PUHLJWSHZZYPOK-ZPLOFBHDSA-N	1	0	454.499	3.004	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]23)cc1OC	ZINC000253487692	570099875	/nfs/dbraw/zinc/09/98/75/570099875.db2.gz	ODXRMYXJGOGYEL-ZUOLGDFJSA-N	1	0	473.610	3.415	50	30		JGEARO
C[C@@H]1CC[C@H]2[C@@H](C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000020609735	195182646	/nfs/dbraw/zinc/18/26/46/195182646.db2.gz	WANWSAWPRCZBGT-SYUHZYNMSA-N	1	0	468.594	3.058	50	30	biogenic	JGEARO
C=CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036310024	128394956	/nfs/dbraw/zinc/39/49/56/128394956.db2.gz	KXOLJZSHTFUBBX-CTNGQTDRSA-N	1	0	474.623	3.147	50	30		JGEARO
Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c(=O)c1C#N	ZINC000021354718	195297207	/nfs/dbraw/zinc/29/72/07/195297207.db2.gz	SELMUHPAUFVUCS-UHFFFAOYSA-N	1	0	497.599	3.370	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)C1=O	ZINC000096318612	130063799	/nfs/dbraw/zinc/06/37/99/130063799.db2.gz	FCXAHKJGOQUZIQ-HMSHQKHKSA-N	1	0	480.362	3.365	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000102484489	130138566	/nfs/dbraw/zinc/13/85/66/130138566.db2.gz	ZRCZFZVKZZTDOJ-IAMBOQNYSA-N	1	0	492.576	3.342	50	30		JGEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Br)cc1	ZINC000102491744	130146265	/nfs/dbraw/zinc/14/62/65/130146265.db2.gz	XSVVSDIMYJEWQF-QOJBNDRUSA-N	1	0	483.366	3.389	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(OC)cc1	ZINC000102492460	130146536	/nfs/dbraw/zinc/14/65/36/130146536.db2.gz	RBVLWJDYRDSEJE-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102498613	130152548	/nfs/dbraw/zinc/15/25/48/130152548.db2.gz	UJRSEHIACDGJDZ-PGVNHDJNSA-N	1	0	471.529	3.321	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1C	ZINC000102501681	130155455	/nfs/dbraw/zinc/15/54/55/130155455.db2.gz	PKOANLSTNAJHGA-OBVHCKHUSA-N	1	0	453.539	3.100	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000102926031	130397138	/nfs/dbraw/zinc/39/71/38/130397138.db2.gz	CUWTVANAYYRDBE-HFEWCJDKSA-N	1	0	462.550	3.333	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)CC1CC1	ZINC000036309518	518296354	/nfs/dbraw/zinc/29/63/54/518296354.db2.gz	NYBCUTXORVEASF-DHLKQENFSA-N	1	0	482.646	3.284	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C1CC1	ZINC000036309482	518296977	/nfs/dbraw/zinc/29/69/77/518296977.db2.gz	SYXUAWAYZRJXFY-URXFXBBRSA-N	1	0	468.619	3.036	50	30		JGEARO
C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCCCCC2)CC1	ZINC000011782358	518644398	/nfs/dbraw/zinc/64/43/98/518644398.db2.gz	GKYFLNFSJPLAOP-XPNTWCBSSA-N	1	0	455.603	3.385	50	30		JGEARO
C=CCN1C(=O)[C@@]2(SC1=S)[C@@H](c1cccs1)C[N@@H+](C)[C@@]21c2cc(OC)ccc2N(C)C1=O	ZINC000013626052	518845769	/nfs/dbraw/zinc/84/57/69/518845769.db2.gz	KRPQOPDMBHSFMP-AVIJNYRZSA-N	1	0	485.656	3.443	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000009320504	518878663	/nfs/dbraw/zinc/87/86/63/518878663.db2.gz	OHIMCCGJLVANSN-OAWJJLAXSA-N	1	0	471.513	3.103	50	30		JGEARO
C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1=O	ZINC000012002905	518945729	/nfs/dbraw/zinc/94/57/29/518945729.db2.gz	UZWXTHSIRFCMGO-AOXVDABRSA-N	1	0	480.653	3.462	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155311	518991363	/nfs/dbraw/zinc/99/13/63/518991363.db2.gz	UQYDBEDKRSQDLT-OAQYLSRUSA-N	1	0	483.565	3.371	50	30		JGEARO
C=CCO[C@H]1[C@H](NC(=O)COC)c2ccccc2C12CC[NH+](Cc1cc3c(c(OC)c1)OCO3)CC2	ZINC000012037282	519000462	/nfs/dbraw/zinc/00/04/62/519000462.db2.gz	KCMMZBYCXCGVOZ-VPUSJEBWSA-N	1	0	494.588	3.346	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020357671	519020870	/nfs/dbraw/zinc/02/08/70/519020870.db2.gz	CPNMVSAVQZTVHB-JOCHJYFZSA-N	1	0	452.507	3.106	50	30		JGEARO
C=CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1	ZINC000011973170	519070633	/nfs/dbraw/zinc/07/06/33/519070633.db2.gz	RWPZDQFOMMOZGK-IBGZPJMESA-N	1	0	461.566	3.401	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000014749681	519289587	/nfs/dbraw/zinc/28/95/87/519289587.db2.gz	YJIXDFGOARLZAB-DEOSSOPVSA-N	1	0	461.654	3.269	50	30		JGEARO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014742847	519290134	/nfs/dbraw/zinc/29/01/34/519290134.db2.gz	VQUJKYSNMMCFJB-QHCPKHFHSA-N	1	0	479.694	3.370	50	30		JGEARO
CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CC[NH+](Cc3cn(C)nc3C)CC2)C1=O	ZINC000011868981	519339526	/nfs/dbraw/zinc/33/95/26/519339526.db2.gz	WEIHOLGGDHLIPG-HHHXNRCGSA-N	1	0	461.610	3.277	50	30		JGEARO
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O	ZINC000011786377	519340358	/nfs/dbraw/zinc/34/03/58/519340358.db2.gz	JKNPLXZWSZCWPS-NDEPHWFRSA-N	1	0	491.563	3.366	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(F)cc2)cc1	ZINC000022808018	519778429	/nfs/dbraw/zinc/77/84/29/519778429.db2.gz	ZACGBXJDLGEHLO-QHCPKHFHSA-N	1	0	467.541	3.096	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C)o1	ZINC000009042010	520596683	/nfs/dbraw/zinc/59/66/83/520596683.db2.gz	UUOVNABXNIHLKI-OBVHCKHUSA-N	1	0	471.554	3.473	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008837866	520648469	/nfs/dbraw/zinc/64/84/69/520648469.db2.gz	VQILHUMYSIJNCL-HFEWCJDKSA-N	1	0	477.521	3.314	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OC)c1	ZINC000016735022	520660635	/nfs/dbraw/zinc/66/06/35/520660635.db2.gz	SDXNZULZIKBPLH-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000009374228	520773229	/nfs/dbraw/zinc/77/32/29/520773229.db2.gz	SBDOOCKTVURKQB-HOGKFDNTSA-N	1	0	454.523	3.091	50	30		JGEARO
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	ZINC000009333921	521360216	/nfs/dbraw/zinc/36/02/16/521360216.db2.gz	JXGQSSFLBWLUOA-HXUWFJFHSA-N	1	0	457.502	3.087	50	30		JGEARO
CCOC(=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	ZINC000009046128	521360938	/nfs/dbraw/zinc/36/09/38/521360938.db2.gz	LNZVYQGOFNMCPY-OAQYLSRUSA-N	1	0	498.536	3.246	50	30		JGEARO
COc1ccc(/C(C)=N\OCc2nc3c4c(C)c(C)n(CCC[NH+]5CCOCC5)c4ncn3n2)cc1	ZINC000020622674	523368212	/nfs/dbraw/zinc/36/82/12/523368212.db2.gz	NGRYUDROJJSCPI-FSGOGVSDSA-N	1	0	491.596	3.368	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000020171448	523553258	/nfs/dbraw/zinc/55/32/58/523553258.db2.gz	ALBJEIZJXYUQHA-OAQYLSRUSA-N	1	0	469.494	3.142	50	30		JGEARO
CN1CC[NH+](CCCCN2C(=O)CN(N=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1	ZINC000021983255	523895737	/nfs/dbraw/zinc/89/57/37/523895737.db2.gz	MREBEPTUUMTTIA-PCLIKHOPSA-N	1	0	457.962	3.226	50	30	investigational	JGEARO
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	ZINC000009186589	524020948	/nfs/dbraw/zinc/02/09/48/524020948.db2.gz	PKSNCBYVSSPMFM-HXUWFJFHSA-N	1	0	457.502	3.087	50	30		JGEARO
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	ZINC000009073464	524021177	/nfs/dbraw/zinc/02/11/77/524021177.db2.gz	WEOKQJADITWZGO-HXUWFJFHSA-N	1	0	457.502	3.087	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1OC	ZINC000012468543	524170504	/nfs/dbraw/zinc/17/05/04/524170504.db2.gz	NMYYSPKGEKKNRQ-QFIPXVFZSA-N	1	0	492.576	3.498	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000009271686	524171842	/nfs/dbraw/zinc/17/18/42/524171842.db2.gz	USQKTDYYJHZYML-NRFANRHFSA-N	1	0	478.549	3.108	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc(O)c(OC)c3)oc21	ZINC000021554896	524256794	/nfs/dbraw/zinc/25/67/94/524256794.db2.gz	NSBSUKAMQDPQES-NRFANRHFSA-N	1	0	466.490	3.296	50	30		JGEARO
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000016286364	524974487	/nfs/dbraw/zinc/97/44/87/524974487.db2.gz	WVWMAJVVHNAGCN-NYHFZMIOSA-N	1	0	465.506	3.448	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c1	ZINC000009186474	525758372	/nfs/dbraw/zinc/75/83/72/525758372.db2.gz	VZGKLMQFLKAYJW-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1cccc(C[C@]2(C3CC[NH+](Cc4ccc(C#CC(C)(C)O)cc4)CC3)NC(=O)N(C)C2=O)c1	ZINC000012040988	526080575	/nfs/dbraw/zinc/08/05/75/526080575.db2.gz	NEKKTMGEJJFXFN-GDLZYMKVSA-N	1	0	489.616	3.193	50	30		JGEARO
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)c2c1C#N	ZINC000020502699	526143149	/nfs/dbraw/zinc/14/31/49/526143149.db2.gz	ITUVIPWCOYVKMR-QFIPXVFZSA-N	1	0	490.007	3.266	50	30		JGEARO
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)c2c1C#N	ZINC000020502701	526143552	/nfs/dbraw/zinc/14/35/52/526143552.db2.gz	ITUVIPWCOYVKMR-JOCHJYFZSA-N	1	0	490.007	3.266	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009270814	527092286	/nfs/dbraw/zinc/09/22/86/527092286.db2.gz	OXQMAPBPKVSNCK-NRFANRHFSA-N	1	0	477.521	3.389	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000102882351	536562328	/nfs/dbraw/zinc/56/23/28/536562328.db2.gz	KYVVUZBLPZTJTR-AYWGPLOBSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102529511	536564293	/nfs/dbraw/zinc/56/42/93/536564293.db2.gz	YZACNDCSSCGYCI-MOBKVPTQSA-N	1	0	454.523	3.091	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000102542058	536565171	/nfs/dbraw/zinc/56/51/71/536565171.db2.gz	IUDGAWJSKWMHFE-HOGKFDNTSA-N	1	0	454.523	3.004	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000102728551	536565581	/nfs/dbraw/zinc/56/55/81/536565581.db2.gz	JYJNXQGSDDPBCP-MOBKVPTQSA-N	1	0	484.549	3.013	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000102857526	536566110	/nfs/dbraw/zinc/56/61/10/536566110.db2.gz	RKXSNNTVDKTWCO-NHFXJNLRSA-N	1	0	474.941	3.349	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000102542046	536566238	/nfs/dbraw/zinc/56/62/38/536566238.db2.gz	IUDGAWJSKWMHFE-MOBKVPTQSA-N	1	0	454.523	3.004	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000008744099	554647226	/nfs/dbraw/zinc/64/72/26/554647226.db2.gz	VZDPTKWDMRLUSL-JBCNATCCSA-N	1	0	454.523	3.086	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000008838264	554739908	/nfs/dbraw/zinc/73/99/08/554739908.db2.gz	LMSDDSHTCLUVLF-JOCHJYFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CC[NH+]=C(NCCc1ccc(OC)c(OC)c1)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O	ZINC000008854565	554749976	/nfs/dbraw/zinc/74/99/76/554749976.db2.gz	CCWAZUDJXXWRCT-HXUWFJFHSA-N	1	0	459.543	3.416	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008905224	554799644	/nfs/dbraw/zinc/79/96/44/554799644.db2.gz	NOJCZTMPMFSGDU-QFIPXVFZSA-N	1	0	454.523	3.161	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008919936	554816630	/nfs/dbraw/zinc/81/66/30/554816630.db2.gz	YQYQOFYOHYDQAL-AYWGPLOBSA-N	1	0	484.549	3.094	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000019897792	555533259	/nfs/dbraw/zinc/53/32/59/555533259.db2.gz	SNTFOVQTBXOICW-HHHXNRCGSA-N	1	0	471.513	3.260	50	30		JGEARO
Clc1ccccc1C[N+]1(CC#Cc2ccc(C#CCN3CCOCC3)cc2)CCOCC1	ZINC000019940051	555558292	/nfs/dbraw/zinc/55/82/92/555558292.db2.gz	FRLPOPSGOBSONM-UHFFFAOYSA-N	1	0	450.002	3.422	50	30		JGEARO
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000019956299	555571099	/nfs/dbraw/zinc/57/10/99/555571099.db2.gz	IOTVOKRKQUWHNZ-JOCHJYFZSA-N	1	0	454.523	3.248	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020029474	555604880	/nfs/dbraw/zinc/60/48/80/555604880.db2.gz	VFGVXPLXUBTSGT-QFIPXVFZSA-N	1	0	484.549	3.251	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020101748	555634365	/nfs/dbraw/zinc/63/43/65/555634365.db2.gz	QSXBWMJLKKCRDW-FQEVSTJZSA-N	1	0	468.466	3.423	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020135451	555659990	/nfs/dbraw/zinc/65/99/90/555659990.db2.gz	UHCUQRWUXNBVDU-OAQYLSRUSA-N	1	0	451.479	3.300	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000020171647	555681102	/nfs/dbraw/zinc/68/11/02/555681102.db2.gz	WYGMKTWVAOYBQV-HSZRJFAPSA-N	1	0	466.534	3.409	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000020219333	555713784	/nfs/dbraw/zinc/71/37/84/555713784.db2.gz	TUPHQQMJMNZALJ-HSZRJFAPSA-N	1	0	482.533	3.005	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020219706	555715409	/nfs/dbraw/zinc/71/54/09/555715409.db2.gz	LCOYCISDPORLDN-OAQYLSRUSA-N	1	0	498.536	3.246	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccc(OC)c1	ZINC000020219723	555715434	/nfs/dbraw/zinc/71/54/34/555715434.db2.gz	RBLALUABROLTOK-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21	ZINC000020219882	555716494	/nfs/dbraw/zinc/71/64/94/555716494.db2.gz	XEQSDJHNMKJCNK-FQEVSTJZSA-N	1	0	465.462	3.490	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000020292213	555761846	/nfs/dbraw/zinc/76/18/46/555761846.db2.gz	KIEYXXMQBYHFQB-QFIPXVFZSA-N	1	0	452.507	3.084	50	30		JGEARO
CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020328980	555774809	/nfs/dbraw/zinc/77/48/09/555774809.db2.gz	LETJFFNSOIBGHN-QHCPKHFHSA-N	1	0	465.550	3.054	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000012575298	556075356	/nfs/dbraw/zinc/07/53/56/556075356.db2.gz	XQOWLTLRXONREL-OAQYLSRUSA-N	1	0	454.523	3.242	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000012759088	556108898	/nfs/dbraw/zinc/10/88/98/556108898.db2.gz	UMTAQXIKJNVQJN-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)[NH+]3CCCCC3)ccc21	ZINC000013008007	556199413	/nfs/dbraw/zinc/19/94/13/556199413.db2.gz	VTNZXQVMHFWZLA-HSZRJFAPSA-N	1	0	465.985	3.486	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CC)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)C1=O	ZINC000017167295	556230332	/nfs/dbraw/zinc/23/03/32/556230332.db2.gz	FCXAHKJGOQUZIQ-GHCZAOPSSA-N	1	0	480.362	3.365	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+]2CCCC2)c(OC)c2c1OCO2	ZINC000096335805	569740162	/nfs/dbraw/zinc/74/01/62/569740162.db2.gz	MJXRMOIVLSAHKB-SFHVURJKSA-N	1	0	486.546	3.168	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102595747	569814471	/nfs/dbraw/zinc/81/44/71/569814471.db2.gz	WWCKRNXZCKFJOO-YDJIHCHBSA-N	1	0	468.466	3.267	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000103926502	569839441	/nfs/dbraw/zinc/83/94/41/569839441.db2.gz	UPLMJIXLIALZCW-MOBKVPTQSA-N	1	0	454.523	3.004	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000105002716	569849127	/nfs/dbraw/zinc/84/91/27/569849127.db2.gz	HWNMGTQQJUNSFH-JTHBVZDNSA-N	1	0	470.635	3.284	50	30		JGEARO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000248217245	570076300	/nfs/dbraw/zinc/07/63/00/570076300.db2.gz	GTAAQHYWQCKRKT-QSAXNBNMSA-N	1	0	461.587	3.335	50	30		JGEARO
COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccccc2OC)OCO3)C1	ZINC000252441074	570080507	/nfs/dbraw/zinc/08/05/07/570080507.db2.gz	DLCGTRRSJFARFD-OGJPMFGRSA-N	1	0	454.499	3.004	50	30		JGEARO
CCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N@@+](C)(CC(=O)OC)C4)OCO3)cc1OC	ZINC000253390585	570095781	/nfs/dbraw/zinc/09/57/81/570095781.db2.gz	XZJFUHGPHLJXLY-SASRDABRSA-N	1	0	498.552	3.403	50	30		JGEARO
CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C)CC1	ZINC000012805894	195141528	/nfs/dbraw/zinc/14/15/28/195141528.db2.gz	QLJFFQVVNLJYCV-UHFFFAOYSA-N	1	0	495.649	3.048	50	30		JGEARO
Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)ccc1OC(C)C	ZINC000102377743	130124789	/nfs/dbraw/zinc/12/47/89/130124789.db2.gz	ZCMDZRKGOGOHAH-SBXHHDGASA-N	1	0	479.577	3.321	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c1C	ZINC000102506024	130160403	/nfs/dbraw/zinc/16/04/03/130160403.db2.gz	OTUGBJINQYRZAO-PGVNHDJNSA-N	1	0	471.529	3.321	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1	ZINC000102515497	130168723	/nfs/dbraw/zinc/16/87/23/130168723.db2.gz	RABAISPRACZYMV-OBVHCKHUSA-N	1	0	450.514	3.464	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000102712745	130258964	/nfs/dbraw/zinc/25/89/64/130258964.db2.gz	FVVZQQVDUYESII-JBCNATCCSA-N	1	0	454.523	3.086	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C)o1	ZINC000102860277	130330996	/nfs/dbraw/zinc/33/09/96/130330996.db2.gz	JGNHEZWGTXYCEW-ASBZNUFUSA-N	1	0	457.527	3.083	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F	ZINC000102884085	130365067	/nfs/dbraw/zinc/36/50/67/130365067.db2.gz	SUCYRXJHRHYVNT-HOGKFDNTSA-N	1	0	454.498	3.360	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102897110	130379319	/nfs/dbraw/zinc/37/93/19/130379319.db2.gz	PBJQDSWLIFVCTQ-SBXHHDGASA-N	1	0	496.560	3.239	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102926891	130398829	/nfs/dbraw/zinc/39/88/29/130398829.db2.gz	PLQPIKGNRUWLBS-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1	ZINC000036309634	518296925	/nfs/dbraw/zinc/29/69/25/518296925.db2.gz	MPMPFCSOENPVEG-REWPJTCUSA-N	1	0	474.598	3.115	50	30		JGEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)C	ZINC000036309548	518297251	/nfs/dbraw/zinc/29/72/51/518297251.db2.gz	ZAMGELGGVNXPMM-URXFXBBRSA-N	1	0	470.635	3.282	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1	ZINC000036309666	518298704	/nfs/dbraw/zinc/29/87/04/518298704.db2.gz	GRFHHHOFHXVAMO-URXFXBBRSA-N	1	0	486.609	3.115	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC	ZINC000036305767	518300207	/nfs/dbraw/zinc/30/02/07/518300207.db2.gz	DGXIWDQNDHUOSW-QFIPXVFZSA-N	1	0	479.577	3.347	50	30		JGEARO
C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H]([NH2+]CCCO)C1=CCOC1=O	ZINC000015415311	518663970	/nfs/dbraw/zinc/66/39/70/518663970.db2.gz	CPBGJYXOHYZUDZ-QXISNKTOSA-N	1	0	491.625	3.084	50	30	biogenic	JGEARO
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1	ZINC000033033467	518768808	/nfs/dbraw/zinc/76/88/08/518768808.db2.gz	QIDQRVVYOOQPFF-UHFFFAOYSA-N	1	0	468.623	3.274	50	30		JGEARO
C=CCN1C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C1CN1CC[NH+](C)CC1	ZINC000035991100	518841345	/nfs/dbraw/zinc/84/13/45/518841345.db2.gz	OUYZJACTZNNCLJ-HSZRJFAPSA-N	1	0	454.615	3.301	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000019897791	518877725	/nfs/dbraw/zinc/87/77/25/518877725.db2.gz	SNTFOVQTBXOICW-MHZLTWQESA-N	1	0	471.513	3.260	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036310022	518980748	/nfs/dbraw/zinc/98/07/48/518980748.db2.gz	KXOLJZSHTFUBBX-FPOVZHCZSA-N	1	0	474.623	3.147	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309035	518983794	/nfs/dbraw/zinc/98/37/94/518983794.db2.gz	PKRMEVGNKQBCDT-URXFXBBRSA-N	1	0	488.650	3.155	50	30		JGEARO
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3cn(CC)nc3C)CC2)C1=O	ZINC000011786917	519339764	/nfs/dbraw/zinc/33/97/64/519339764.db2.gz	UJZDMMLLXYPGEF-MHZLTWQESA-N	1	0	461.610	3.370	50	30		JGEARO
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O	ZINC000011786378	519341826	/nfs/dbraw/zinc/34/18/26/519341826.db2.gz	JKNPLXZWSZCWPS-MUUNZHRXSA-N	1	0	491.563	3.366	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1	ZINC000020149912	520601446	/nfs/dbraw/zinc/60/14/46/520601446.db2.gz	IBMVCXBJZPSWKK-NRFANRHFSA-N	1	0	468.554	3.123	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000020328954	520602002	/nfs/dbraw/zinc/60/20/02/520602002.db2.gz	DCNJOJRKDQOABP-QHCPKHFHSA-N	1	0	466.534	3.474	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009042442	520647867	/nfs/dbraw/zinc/64/78/67/520647867.db2.gz	ZTFKSNVMIFZHOB-PGVNHDJNSA-N	1	0	498.536	3.090	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000009312854	520781170	/nfs/dbraw/zinc/78/11/70/520781170.db2.gz	SBDOOCKTVURKQB-MOBKVPTQSA-N	1	0	454.523	3.091	50	30		JGEARO
CCOC(=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	ZINC000009177242	521360304	/nfs/dbraw/zinc/36/03/04/521360304.db2.gz	IFDAHVKHJSNKKO-OAQYLSRUSA-N	1	0	498.536	3.246	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c1C	ZINC000009123131	521360754	/nfs/dbraw/zinc/36/07/54/521360754.db2.gz	BHQFTYLATVUEES-NRFANRHFSA-N	1	0	471.529	3.477	50	30		JGEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009244297	521413712	/nfs/dbraw/zinc/41/37/12/521413712.db2.gz	XVMODKPDUQNFEA-FIMCBBJJSA-N	1	0	450.535	3.392	50	30		JGEARO
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000016741935	521579652	/nfs/dbraw/zinc/57/96/52/521579652.db2.gz	ITBZLMPZJKFFQU-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000009186595	523374988	/nfs/dbraw/zinc/37/49/88/523374988.db2.gz	WZAICVOGFSLVFX-WOOAAIBNSA-N	1	0	459.886	3.240	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000009046600	523553888	/nfs/dbraw/zinc/55/38/88/523553888.db2.gz	MTQRNZHXJJCEER-NRFANRHFSA-N	1	0	453.495	3.442	50	30		JGEARO
Cc1ccc[n+](C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1	ZINC000002298292	524102830	/nfs/dbraw/zinc/10/28/30/524102830.db2.gz	ALPTZLICCQPIFA-UHFFFAOYSA-O	1	0	484.351	3.271	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000009271687	524109106	/nfs/dbraw/zinc/10/91/06/524109106.db2.gz	USQKTDYYJHZYML-OAQYLSRUSA-N	1	0	478.549	3.108	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000017180212	524111480	/nfs/dbraw/zinc/11/14/80/524111480.db2.gz	QYLBEWKWVVRVNA-HSZRJFAPSA-N	1	0	490.560	3.338	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)oc21	ZINC000009339455	524257892	/nfs/dbraw/zinc/25/78/92/524257892.db2.gz	NYWAMTIMWJCHGZ-YDJIHCHBSA-N	1	0	465.462	3.333	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009275564	524889256	/nfs/dbraw/zinc/88/92/56/524889256.db2.gz	AZDFXIPFTYHFRM-HOGKFDNTSA-N	1	0	480.517	3.442	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000009186811	525386350	/nfs/dbraw/zinc/38/63/50/525386350.db2.gz	FNONTBYGZLWTFY-QHCPKHFHSA-N	1	0	492.576	3.498	50	30		JGEARO
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1	ZINC000016286358	525516643	/nfs/dbraw/zinc/51/66/43/525516643.db2.gz	WVWMAJVVHNAGCN-IVZQSRNASA-N	1	0	465.506	3.448	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000009302196	525551807	/nfs/dbraw/zinc/55/18/07/525551807.db2.gz	NIBDPSBWELDLLP-JOCHJYFZSA-N	1	0	475.505	3.229	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045439	527091574	/nfs/dbraw/zinc/09/15/74/527091574.db2.gz	HZCHFABZXSFNMQ-OAQYLSRUSA-N	1	0	477.521	3.389	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000102891463	536884012	/nfs/dbraw/zinc/88/40/12/536884012.db2.gz	YHOHOXJNAZMSLI-AYWGPLOBSA-N	1	0	468.550	3.419	50	30		JGEARO
Cc1cc[n+](C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1C	ZINC000002309158	554143147	/nfs/dbraw/zinc/14/31/47/554143147.db2.gz	KZXNUHRCXZTEFW-UHFFFAOYSA-O	1	0	453.927	3.471	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000008914106	554807102	/nfs/dbraw/zinc/80/71/02/554807102.db2.gz	KHGDXYSGINTPQY-MOBKVPTQSA-N	1	0	468.550	3.476	50	30		JGEARO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(C#N)c2)CC1	ZINC000008965820	554840983	/nfs/dbraw/zinc/84/09/83/554840983.db2.gz	CNMCMJBPWYVRIV-UHFFFAOYSA-N	1	0	481.622	3.127	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21	ZINC000008980763	554846813	/nfs/dbraw/zinc/84/68/13/554846813.db2.gz	BDQXWHKSSYGJMZ-YDJIHCHBSA-N	1	0	465.462	3.333	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000008981618	554847044	/nfs/dbraw/zinc/84/70/44/554847044.db2.gz	UQNWMFQWIRJBET-HSZRJFAPSA-N	1	0	492.576	3.498	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)c1	ZINC000008996796	554857843	/nfs/dbraw/zinc/85/78/43/554857843.db2.gz	JWNRBMJBXHCRLQ-LFVOPCPISA-N	1	0	459.340	3.441	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000013550811	555491563	/nfs/dbraw/zinc/49/15/63/555491563.db2.gz	KCFJLEXFCSZRMS-NRFANRHFSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000019885675	555528738	/nfs/dbraw/zinc/52/87/38/555528738.db2.gz	WJYPMZDZKKLKMW-JOCHJYFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000019885677	555528803	/nfs/dbraw/zinc/52/88/03/555528803.db2.gz	WJYPMZDZKKLKMW-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC(C)C)c2)c(C)n1	ZINC000013683702	555577546	/nfs/dbraw/zinc/57/75/46/555577546.db2.gz	USNNKPBCMULGNR-JOCHJYFZSA-N	1	0	452.555	3.411	50	30		JGEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(OC(C)C)c1	ZINC000013719614	555595523	/nfs/dbraw/zinc/59/55/23/555595523.db2.gz	UOIMEWZENAJJAC-QFIPXVFZSA-N	1	0	454.571	3.354	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000020029381	555604940	/nfs/dbraw/zinc/60/49/40/555604940.db2.gz	OBCZMUJVQIWVHR-XMMPIXPASA-N	1	0	477.605	3.476	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000020135447	555660063	/nfs/dbraw/zinc/66/00/63/555660063.db2.gz	UHCUQRWUXNBVDU-NRFANRHFSA-N	1	0	451.479	3.300	50	30		JGEARO
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020192128	555693386	/nfs/dbraw/zinc/69/33/86/555693386.db2.gz	CGGWJNBOGODMOB-QHCPKHFHSA-N	1	0	464.518	3.163	50	30		JGEARO
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020193168	555694314	/nfs/dbraw/zinc/69/43/14/555694314.db2.gz	QIOUYCFQAAAVKC-QFIPXVFZSA-N	1	0	452.507	3.344	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccncc2)c1C	ZINC000020193281	555694734	/nfs/dbraw/zinc/69/47/34/555694734.db2.gz	KULMDBCRKWTAGI-NRFANRHFSA-N	1	0	468.554	3.123	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020219230	555713487	/nfs/dbraw/zinc/71/34/87/555713487.db2.gz	DYQDOELTPLVXCE-JOCHJYFZSA-N	1	0	477.521	3.471	50	30		JGEARO
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219262	555713795	/nfs/dbraw/zinc/71/37/95/555713795.db2.gz	AYZYXJOBIGVZFN-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219260	555713816	/nfs/dbraw/zinc/71/38/16/555713816.db2.gz	AYZYXJOBIGVZFN-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1C	ZINC000020219701	555715487	/nfs/dbraw/zinc/71/54/87/555715487.db2.gz	NTXHKZVNPXYPGC-OAQYLSRUSA-N	1	0	453.539	3.257	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)cc1	ZINC000020266619	555748360	/nfs/dbraw/zinc/74/83/60/555748360.db2.gz	ZMIONJAYORFYPO-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)cc1	ZINC000020266616	555748400	/nfs/dbraw/zinc/74/84/00/555748400.db2.gz	ZMIONJAYORFYPO-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)cc1	ZINC000020267608	555748702	/nfs/dbraw/zinc/74/87/02/555748702.db2.gz	XCOQCSKHMPTAEQ-QHCPKHFHSA-N	1	0	466.534	3.474	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccncc1	ZINC000020267536	555748742	/nfs/dbraw/zinc/74/87/42/555748742.db2.gz	NMRKAFAUZSQTAT-QFIPXVFZSA-N	1	0	451.523	3.163	50	30		JGEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C2	ZINC000014538955	555828598	/nfs/dbraw/zinc/82/85/98/555828598.db2.gz	INXABJXRCFOCHX-KRWDZBQOSA-N	1	0	464.488	3.087	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147110	556123675	/nfs/dbraw/zinc/12/36/75/556123675.db2.gz	VOOGAMBTXSXFBV-AREMUKBSSA-N	1	0	463.509	3.043	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024147106	556123806	/nfs/dbraw/zinc/12/38/06/556123806.db2.gz	VOOGAMBTXSXFBV-SANMLTNESA-N	1	0	463.509	3.043	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(=O)OC)cc2)cc1	ZINC000016734861	556156238	/nfs/dbraw/zinc/15/62/38/556156238.db2.gz	FSVYNHNJRVGBTR-JOCHJYFZSA-N	1	0	464.518	3.178	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000017194559	556237661	/nfs/dbraw/zinc/23/76/61/556237661.db2.gz	FQSJMABHZCUCGZ-QFIPXVFZSA-N	1	0	454.523	3.248	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000018061126	556281532	/nfs/dbraw/zinc/28/15/32/556281532.db2.gz	CXTBOKKLPAUSDI-HSZRJFAPSA-N	1	0	482.533	3.005	50	30		JGEARO
C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3C#N)C[C@H]12	ZINC000035871424	569718773	/nfs/dbraw/zinc/71/87/73/569718773.db2.gz	HPFXGNUCIUNHIS-NFBKMPQASA-N	1	0	471.527	3.122	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102574043	569814357	/nfs/dbraw/zinc/81/43/57/569814357.db2.gz	FLCDFQZGCPHLHY-YDJIHCHBSA-N	1	0	468.466	3.267	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1C	ZINC000102931393	569828467	/nfs/dbraw/zinc/82/84/67/569828467.db2.gz	FAQNBAZPOJPMQT-PGVNHDJNSA-N	1	0	471.529	3.321	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102931527	569828486	/nfs/dbraw/zinc/82/84/86/569828486.db2.gz	JWUPOYNUUZIJRT-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1ccco1)CN(C)[C@@]21c2cc(F)ccc2N(C)C1=O	ZINC000227071654	570039912	/nfs/dbraw/zinc/03/99/12/570039912.db2.gz	PJRIWWJTFYODAK-ITEAAPOESA-N	1	0	457.552	3.105	50	30		JGEARO
CN1C[C@H](OS(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1CNS(=O)(=O)c1ccc(F)cc1Cl	ZINC000240555658	570053058	/nfs/dbraw/zinc/05/30/58/570053058.db2.gz	GWZIKXCXJUFRQW-UONOGXRCSA-N	1	0	515.387	3.028	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CC)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)C1=O	ZINC000096300118	130054019	/nfs/dbraw/zinc/05/40/19/130054019.db2.gz	FCXAHKJGOQUZIQ-CDSYHYPYSA-N	1	0	480.362	3.365	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102515103	130168711	/nfs/dbraw/zinc/16/87/11/130168711.db2.gz	WZXHXQOSICZZPN-ZHHPLPSFSA-N	1	0	468.550	3.481	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c1C	ZINC000102515957	130168945	/nfs/dbraw/zinc/16/89/45/130168945.db2.gz	GDJIXFXDMHWFFJ-ASBZNUFUSA-N	1	0	473.957	3.445	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c1C	ZINC000102515966	130168987	/nfs/dbraw/zinc/16/89/87/130168987.db2.gz	GDJIXFXDMHWFFJ-QOJBNDRUSA-N	1	0	473.957	3.445	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000102539936	130194782	/nfs/dbraw/zinc/19/47/82/130194782.db2.gz	WHEHISHYJBDWHL-ZHHPLPSFSA-N	1	0	489.532	3.462	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)cc1	ZINC000102651955	130232128	/nfs/dbraw/zinc/23/21/28/130232128.db2.gz	WTJJLKFOUXXJCM-AYWGPLOBSA-N	1	0	466.534	3.230	50	30		JGEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102867284	130340817	/nfs/dbraw/zinc/34/08/17/130340817.db2.gz	YQOCBPRHWZDOCI-ZHHPLPSFSA-N	1	0	466.534	3.230	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000102875202	130347012	/nfs/dbraw/zinc/34/70/12/130347012.db2.gz	YUIHYFXNNFMTIT-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C	ZINC000036309776	518297173	/nfs/dbraw/zinc/29/71/73/518297173.db2.gz	LFOUHPWFIQFJPN-REWPJTCUSA-N	1	0	474.598	3.113	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C	ZINC000036309389	518297650	/nfs/dbraw/zinc/29/76/50/518297650.db2.gz	NPFJBKPMNWFJJU-GMAHTHKFSA-N	1	0	470.635	3.202	50	30		JGEARO
C/C(=N/OCc1nc2c3c(C)c(C)n(CCC[NH+]4CCOCC4)c3ncn2n1)c1ccccc1	ZINC000020591157	518457085	/nfs/dbraw/zinc/45/70/85/518457085.db2.gz	RCBGJKJOQDVAIF-CEUNXORHSA-N	1	0	461.570	3.359	50	30		JGEARO
C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H]([NH2+]CCCO)C1=CCOC1=O	ZINC000015415317	518663479	/nfs/dbraw/zinc/66/34/79/518663479.db2.gz	CPBGJYXOHYZUDZ-ALJJLJGBSA-N	1	0	491.625	3.084	50	30	biogenic	JGEARO
C=CCOC[C@@H](O)C[N@@H+](CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155308	518985945	/nfs/dbraw/zinc/98/59/45/518985945.db2.gz	UQYDBEDKRSQDLT-NRFANRHFSA-N	1	0	483.565	3.371	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000009243385	519010565	/nfs/dbraw/zinc/01/05/65/519010565.db2.gz	DHMIHSIXDOFCIH-AYWGPLOBSA-N	1	0	496.560	3.261	50	30		JGEARO
C=CCn1c(=O)c(=O)n(CCC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc21	ZINC000033272476	519152197	/nfs/dbraw/zinc/15/21/97/519152197.db2.gz	MFHUIRYOEBHLHC-UHFFFAOYSA-N	1	0	495.023	3.421	50	30		JGEARO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2	ZINC000014733590	519289853	/nfs/dbraw/zinc/28/98/53/519289853.db2.gz	HURCVOZJDNBGIS-SFHVURJKSA-N	1	0	461.532	3.123	50	30		JGEARO
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccc(OCCO)cc3)CC2)C1=O	ZINC000012037592	519342069	/nfs/dbraw/zinc/34/20/69/519342069.db2.gz	LKRVRGRORGLTQZ-GDLZYMKVSA-N	1	0	489.616	3.216	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C)cc1	ZINC000009008307	520648842	/nfs/dbraw/zinc/64/88/42/520648842.db2.gz	LWMXBYLSJUUFGN-IAMBOQNYSA-N	1	0	467.566	3.490	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccccc1F	ZINC000009065581	520649207	/nfs/dbraw/zinc/64/92/07/520649207.db2.gz	GHSJMBZNSIBOPG-OBVHCKHUSA-N	1	0	471.529	3.321	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000009176005	521233254	/nfs/dbraw/zinc/23/32/54/521233254.db2.gz	RHERCGCITLBEIL-IAMBOQNYSA-N	1	0	483.565	3.190	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000009275179	522956570	/nfs/dbraw/zinc/95/65/70/522956570.db2.gz	FWAIBZLWTSVTOF-IBGZPJMESA-N	1	0	489.594	3.316	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000009241381	523371061	/nfs/dbraw/zinc/37/10/61/523371061.db2.gz	VGESYXHFNDSSJZ-MOBKVPTQSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009235702	524892287	/nfs/dbraw/zinc/89/22/87/524892287.db2.gz	MQCLBCAIJXPJAT-JOCHJYFZSA-N	1	0	478.549	3.108	50	30		JGEARO
COc1cccc(C[C@@]2(C3CC[NH+](Cc4ccc(C#CC(C)(C)O)cc4)CC3)NC(=O)N(C)C2=O)c1	ZINC000012040986	526074705	/nfs/dbraw/zinc/07/47/05/526074705.db2.gz	NEKKTMGEJJFXFN-LJAQVGFWSA-N	1	0	489.616	3.193	50	30		JGEARO
CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102888905	535284387	/nfs/dbraw/zinc/28/43/87/535284387.db2.gz	YKODINDEQMLVMA-AYWGPLOBSA-N	1	0	468.550	3.476	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000102487362	536562298	/nfs/dbraw/zinc/56/22/98/536562298.db2.gz	HTOCGJNOFHTDKU-HOGKFDNTSA-N	1	0	468.550	3.394	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000102857522	536566134	/nfs/dbraw/zinc/56/61/34/536566134.db2.gz	RKXSNNTVDKTWCO-YDJIHCHBSA-N	1	0	474.941	3.349	50	30		JGEARO
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@H]3CCc4cc(C#N)ccc4C3)CC1)O2	ZINC000000586740	553711093	/nfs/dbraw/zinc/71/10/93/553711093.db2.gz	IQLSBKXSEGGVPO-NRFANRHFSA-N	1	0	465.575	3.287	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000008737957	554639458	/nfs/dbraw/zinc/63/94/58/554639458.db2.gz	PUZCCGKWANFGBN-HXUWFJFHSA-N	1	0	458.511	3.144	50	30		JGEARO
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC	ZINC000008737956	554639477	/nfs/dbraw/zinc/63/94/77/554639477.db2.gz	PUZCCGKWANFGBN-FQEVSTJZSA-N	1	0	458.511	3.144	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000013552608	555492723	/nfs/dbraw/zinc/49/27/23/555492723.db2.gz	SZVZXGBNONFLBR-HXUWFJFHSA-N	1	0	458.511	3.226	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013736476	555606074	/nfs/dbraw/zinc/60/60/74/555606074.db2.gz	YWDWQIASADHCOU-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2OC)cc1OC	ZINC000020188298	555690563	/nfs/dbraw/zinc/69/05/63/555690563.db2.gz	HDBLAVPGFNXXBU-QFIPXVFZSA-N	1	0	484.549	3.251	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020193185	555694684	/nfs/dbraw/zinc/69/46/84/555694684.db2.gz	JKSQJDANYDWVOH-OAQYLSRUSA-N	1	0	467.478	3.244	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccccc1F	ZINC000020219168	555713176	/nfs/dbraw/zinc/71/31/76/555713176.db2.gz	LTYYUCNIOYNYEI-NRFANRHFSA-N	1	0	471.529	3.477	50	30		JGEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219347	555713671	/nfs/dbraw/zinc/71/36/71/555713671.db2.gz	OOIQZWHIBDZDBC-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020219546	555714765	/nfs/dbraw/zinc/71/47/65/555714765.db2.gz	AHTITCOJLRXJKF-JOCHJYFZSA-N	1	0	462.550	3.490	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C)o1	ZINC000020219718	555715505	/nfs/dbraw/zinc/71/55/05/555715505.db2.gz	AZELFTLTHYIUDI-HXUWFJFHSA-N	1	0	457.527	3.240	50	30		JGEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020289144	555759865	/nfs/dbraw/zinc/75/98/65/555759865.db2.gz	CKBHCYSJDKMJPO-HSZRJFAPSA-N	1	0	466.534	3.387	50	30		JGEARO
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014535387	555824302	/nfs/dbraw/zinc/82/43/02/555824302.db2.gz	SJLAQSSNRMHPNO-UHFFFAOYSA-N	1	0	459.590	3.280	50	30		JGEARO
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000024192884	556125736	/nfs/dbraw/zinc/12/57/36/556125736.db2.gz	QFWFZLXKBJGEOM-HHHXNRCGSA-N	1	0	477.536	3.351	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000016805791	556162007	/nfs/dbraw/zinc/16/20/07/556162007.db2.gz	VFWHZZSRYZWMLL-HSZRJFAPSA-N	1	0	496.560	3.411	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000016805790	556162057	/nfs/dbraw/zinc/16/20/57/556162057.db2.gz	VFWHZZSRYZWMLL-QHCPKHFHSA-N	1	0	496.560	3.411	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000017145834	556225922	/nfs/dbraw/zinc/22/59/22/556225922.db2.gz	RXZVIOIPJZMZGL-DEOSSOPVSA-N	1	0	490.560	3.338	50	30		JGEARO
COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000017180210	556234729	/nfs/dbraw/zinc/23/47/29/556234729.db2.gz	QYLBEWKWVVRVNA-QHCPKHFHSA-N	1	0	490.560	3.338	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000013127249	556343068	/nfs/dbraw/zinc/34/30/68/556343068.db2.gz	ZSFNZWLBWIWGQV-QFIPXVFZSA-N	1	0	454.523	3.330	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(OC)cc1	ZINC000013127532	556343861	/nfs/dbraw/zinc/34/38/61/556343861.db2.gz	OWHZRLLSWCMPMW-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1	ZINC000034682290	569643943	/nfs/dbraw/zinc/64/39/43/569643943.db2.gz	ZUUKGHCNQVAUFL-NRFANRHFSA-N	1	0	478.515	3.428	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000102856597	569824527	/nfs/dbraw/zinc/82/45/27/569824527.db2.gz	FJRHSJYGOQTIQS-ZHHPLPSFSA-N	1	0	468.550	3.394	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102874714	569826150	/nfs/dbraw/zinc/82/61/50/569826150.db2.gz	UMQPHUIDFWZNKS-OBVHCKHUSA-N	1	0	477.521	3.233	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1C	ZINC000102931772	569828553	/nfs/dbraw/zinc/82/85/53/569828553.db2.gz	MPDWBZMVOUXYDQ-IAMBOQNYSA-N	1	0	467.566	3.490	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1	ZINC000247996287	570072460	/nfs/dbraw/zinc/07/24/60/570072460.db2.gz	MPMPFCSOENPVEG-NFBKMPQASA-N	1	0	474.598	3.115	50	30		JGEARO
C=CCOC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248011456	570072670	/nfs/dbraw/zinc/07/26/70/570072670.db2.gz	JBQAMWZGENBMRA-RBBKRZOGSA-N	1	0	458.624	3.447	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248011453	570072710	/nfs/dbraw/zinc/07/27/10/570072710.db2.gz	JBQAMWZGENBMRA-IFMALSPDSA-N	1	0	458.624	3.447	50	30		JGEARO
COc1ccc(C[N@H+](CCCO)C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1OC	ZINC000253487690	570099849	/nfs/dbraw/zinc/09/98/49/570099849.db2.gz	ODXRMYXJGOGYEL-LBMASSGKSA-N	1	0	473.610	3.415	50	30		JGEARO
C=CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1	ZINC000036309575	128391874	/nfs/dbraw/zinc/39/18/74/128391874.db2.gz	NYVQDPNVDHMBKT-OFNKIYASSA-N	1	0	474.598	3.420	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000102486271	130140335	/nfs/dbraw/zinc/14/03/35/130140335.db2.gz	HPGMZZRFEGPACG-HFEWCJDKSA-N	1	0	483.565	3.190	50	30		JGEARO
COc1ccccc1[C@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000102497463	130151725	/nfs/dbraw/zinc/15/17/25/130151725.db2.gz	RCKDVCOZMOXFHF-HFEWCJDKSA-N	1	0	462.550	3.333	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102498621	130152470	/nfs/dbraw/zinc/15/24/70/130152470.db2.gz	UJRSEHIACDGJDZ-OBVHCKHUSA-N	1	0	471.529	3.321	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102502694	130156303	/nfs/dbraw/zinc/15/63/03/130156303.db2.gz	OOWRDZAKYPFMJG-SBXHHDGASA-N	1	0	490.560	3.181	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)c1OC	ZINC000102513097	130166835	/nfs/dbraw/zinc/16/68/35/130166835.db2.gz	HTYJWCYBRGFZCE-ZHHPLPSFSA-N	1	0	490.560	3.181	50	30		JGEARO
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000102529973	130183765	/nfs/dbraw/zinc/18/37/65/130183765.db2.gz	QKLWYQHAMFVJSB-AYWGPLOBSA-N	1	0	468.550	3.481	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000102534753	130189381	/nfs/dbraw/zinc/18/93/81/130189381.db2.gz	GRGINWDIPOIWRZ-ZMESVYRVSA-N	1	0	459.930	3.055	50	30		JGEARO
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102535101	130189763	/nfs/dbraw/zinc/18/97/63/130189763.db2.gz	AIOUCPAKLXVZIR-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000102539930	130194707	/nfs/dbraw/zinc/19/47/07/130194707.db2.gz	WHEHISHYJBDWHL-AYWGPLOBSA-N	1	0	489.532	3.462	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102542968	130199010	/nfs/dbraw/zinc/19/90/10/130199010.db2.gz	FMIDDWSEDZWOCF-JBCNATCCSA-N	1	0	469.494	3.073	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102576900	130215523	/nfs/dbraw/zinc/21/55/23/130215523.db2.gz	TZQJUVRMKLXJQW-MOBKVPTQSA-N	1	0	483.521	3.376	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCCC)cc1)=C(O)C(=O)N2CC[NH+](C)C	ZINC000102612558	130223946	/nfs/dbraw/zinc/22/39/46/130223946.db2.gz	ZXUBWSUVSWNKOB-PWBNPAGMSA-N	1	0	489.572	3.146	50	30		JGEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102718897	130264696	/nfs/dbraw/zinc/26/46/96/130264696.db2.gz	VAGWLOMKRGCMPO-ZHHPLPSFSA-N	1	0	498.576	3.485	50	30		JGEARO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102857832	130327124	/nfs/dbraw/zinc/32/71/24/130327124.db2.gz	FAWLELMEAXDSAZ-PGVNHDJNSA-N	1	0	477.521	3.233	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102867186	130340042	/nfs/dbraw/zinc/34/00/42/130340042.db2.gz	VZOPLGAKBGRQEC-NXLSWJSLSA-N	1	0	479.577	3.287	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000102878277	130352050	/nfs/dbraw/zinc/35/20/50/130352050.db2.gz	KQZRORIAIMJNAU-WOOAAIBNSA-N	1	0	459.568	3.151	50	30		JGEARO
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c1C	ZINC000102881166	130357611	/nfs/dbraw/zinc/35/76/11/130357611.db2.gz	PEEMWILXDZDAMU-WENBPLFZSA-N	1	0	459.930	3.055	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102925245	130395479	/nfs/dbraw/zinc/39/54/79/130395479.db2.gz	VDFDRBKYBRBTMQ-BUANBSPESA-N	1	0	478.549	3.033	50	30		JGEARO
C#CCOC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C1CC1	ZINC000036308918	518296953	/nfs/dbraw/zinc/29/69/53/518296953.db2.gz	ULNLPZNHMKNNGD-REWPJTCUSA-N	1	0	489.037	3.381	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1	ZINC000036310209	518297097	/nfs/dbraw/zinc/29/70/97/518297097.db2.gz	LPEOKWCSDYXJPY-URXFXBBRSA-N	1	0	486.609	3.115	50	30		JGEARO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1	ZINC000036306035	518300820	/nfs/dbraw/zinc/30/08/20/518300820.db2.gz	NIVSHJCGUICLEQ-QFIPXVFZSA-N	1	0	479.577	3.347	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1	ZINC000036307470	518307184	/nfs/dbraw/zinc/30/71/84/518307184.db2.gz	YCDDDKLKDCDYNA-JOCHJYFZSA-N	1	0	467.541	3.478	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020358285	519020380	/nfs/dbraw/zinc/02/03/80/519020380.db2.gz	VBCMSKHMDHDWJH-HSZRJFAPSA-N	1	0	496.560	3.417	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020358284	519020818	/nfs/dbraw/zinc/02/08/18/519020818.db2.gz	VBCMSKHMDHDWJH-QHCPKHFHSA-N	1	0	496.560	3.417	50	30		JGEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000009312516	519041308	/nfs/dbraw/zinc/04/13/08/519041308.db2.gz	MFXRYHDSTPFYNW-ZHHPLPSFSA-N	1	0	464.518	3.006	50	30		JGEARO
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCC[C@@H](C)[NH+]3CCCC3)cc2)c(=O)c1=O	ZINC000033272791	519266256	/nfs/dbraw/zinc/26/62/56/519266256.db2.gz	QTCHTJDVIJRRDU-HXUWFJFHSA-N	1	0	460.578	3.002	50	30		JGEARO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014742848	519289263	/nfs/dbraw/zinc/28/92/63/519289263.db2.gz	VQUJKYSNMMCFJB-HSZRJFAPSA-N	1	0	479.694	3.370	50	30		JGEARO
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+]([C@@H](C)Cc3ccccn3)CC2)C1=O	ZINC000011791076	519342401	/nfs/dbraw/zinc/34/24/01/519342401.db2.gz	UUIABLIMBOIJKK-CCLHPLFOSA-N	1	0	462.569	3.420	50	30		JGEARO
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3cccc(OCCO)c3)CC2)C1=O	ZINC000012282578	519343140	/nfs/dbraw/zinc/34/31/40/519343140.db2.gz	CQCOYLVUMKJSRI-GDLZYMKVSA-N	1	0	489.616	3.216	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C)o1	ZINC000009042013	520596539	/nfs/dbraw/zinc/59/65/39/520596539.db2.gz	UUOVNABXNIHLKI-PGVNHDJNSA-N	1	0	471.554	3.473	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccco1	ZINC000009234842	520596860	/nfs/dbraw/zinc/59/68/60/520596860.db2.gz	YJPNCCPJNPXGCR-QOJBNDRUSA-N	1	0	457.527	3.165	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)cc1OC	ZINC000016735045	520660832	/nfs/dbraw/zinc/66/08/32/520660832.db2.gz	DKDOZCKKMGCCTB-XMMPIXPASA-N	1	0	496.560	3.395	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OC)c1	ZINC000016735019	520661039	/nfs/dbraw/zinc/66/10/39/520661039.db2.gz	SDXNZULZIKBPLH-QHCPKHFHSA-N	1	0	466.534	3.387	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC	ZINC000009354389	521232646	/nfs/dbraw/zinc/23/26/46/521232646.db2.gz	XPUQSYWNXYKCKO-SBXHHDGASA-N	1	0	496.560	3.239	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c1C	ZINC000009302152	521360419	/nfs/dbraw/zinc/36/04/19/521360419.db2.gz	BXVUGXNZBBELCF-QFIPXVFZSA-N	1	0	483.565	3.347	50	30		JGEARO
CCc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000016742210	524033523	/nfs/dbraw/zinc/03/35/23/524033523.db2.gz	LUNVBVLFEQIDPT-HSZRJFAPSA-N	1	0	499.633	3.029	50	30		JGEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000009043070	524104887	/nfs/dbraw/zinc/10/48/87/524104887.db2.gz	VMQYILFEJFRERR-HOGKFDNTSA-N	1	0	454.523	3.086	50	30		JGEARO
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc([N+](=O)[O-])c3)oc21	ZINC000009301880	524257547	/nfs/dbraw/zinc/25/75/47/524257547.db2.gz	NYWAMTIMWJCHGZ-NHFXJNLRSA-N	1	0	465.462	3.333	50	30		JGEARO
COc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(Br)cc2)cc1OC	ZINC000013366991	524621442	/nfs/dbraw/zinc/62/14/42/524621442.db2.gz	TVNMHBSCIUGBII-JOCHJYFZSA-O	1	0	483.342	3.480	50	30		JGEARO
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000009235694	524910834	/nfs/dbraw/zinc/91/08/34/524910834.db2.gz	MQCLBCAIJXPJAT-QFIPXVFZSA-N	1	0	478.549	3.108	50	30		JGEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000009273846	525758186	/nfs/dbraw/zinc/75/81/86/525758186.db2.gz	ZASUOJUXGVCOPD-MOBKVPTQSA-N	1	0	484.549	3.094	50	30		JGEARO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045198	527175362	/nfs/dbraw/zinc/17/53/62/527175362.db2.gz	CLLUWXKGLOEXPU-OAQYLSRUSA-N	1	0	463.494	3.081	50	30		JGEARO
O=C(Cn1c[n+](CC(=O)c2ccc(Br)cc2)cn1)c1ccc(Br)cc1	ZINC000001951742	554006619	/nfs/dbraw/zinc/00/66/19/554006619.db2.gz	NYTHFWPKYPPCGA-UHFFFAOYSA-N	1	0	464.137	3.461	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Br)c1	ZINC000008742452	554645075	/nfs/dbraw/zinc/64/50/75/554645075.db2.gz	DFOFVHLVWYUDBN-NHFXJNLRSA-N	1	0	487.350	3.204	50	30		JGEARO
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008905177	554799252	/nfs/dbraw/zinc/79/92/52/554799252.db2.gz	CKPQOYJRPOOYPA-YDJIHCHBSA-N	1	0	489.366	3.450	50	30		JGEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000008922387	554819375	/nfs/dbraw/zinc/81/93/75/554819375.db2.gz	BEAVVXXONJVHRW-ZHHPLPSFSA-N	1	0	468.550	3.476	50	30		JGEARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3C#N)[NH+]3CCCC3)ccc21	ZINC000008964111	554838260	/nfs/dbraw/zinc/83/82/60/554838260.db2.gz	RGNHAXQTSFNGOY-JOCHJYFZSA-N	1	0	451.958	3.096	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1C	ZINC000009007557	554860629	/nfs/dbraw/zinc/86/06/29/554860629.db2.gz	SUCJNTGRCJTYRS-OAQYLSRUSA-N	1	0	471.529	3.477	50	30		JGEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Br)c1	ZINC000019880080	555525141	/nfs/dbraw/zinc/52/51/41/555525141.db2.gz	ACFQFIVZXSGQFW-IBGZPJMESA-N	1	0	473.323	3.318	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)cc1OC	ZINC000019938581	555556908	/nfs/dbraw/zinc/55/69/08/555556908.db2.gz	PEYHAZOQTZUSHM-QFIPXVFZSA-N	1	0	454.523	3.242	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000020191793	555693093	/nfs/dbraw/zinc/69/30/93/555693093.db2.gz	OMRQFLAWMZWCSZ-NRFANRHFSA-N	1	0	469.494	3.142	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(OC)c1	ZINC000020193196	555694650	/nfs/dbraw/zinc/69/46/50/555694650.db2.gz	RQNVOHKLMWUPAU-JOCHJYFZSA-N	1	0	452.507	3.344	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000020218955	555713131	/nfs/dbraw/zinc/71/31/31/555713131.db2.gz	KCSGLKNJPSHZCH-CHHLAKQQSA-N	1	0	452.507	3.386	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccccc1F	ZINC000020219170	555713153	/nfs/dbraw/zinc/71/31/53/555713153.db2.gz	LTYYUCNIOYNYEI-OAQYLSRUSA-N	1	0	471.529	3.477	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccc(F)c1	ZINC000020219179	555713183	/nfs/dbraw/zinc/71/31/83/555713183.db2.gz	HPKHLVZULOMVAF-NRFANRHFSA-N	1	0	471.529	3.477	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000020219332	555713805	/nfs/dbraw/zinc/71/38/05/555713805.db2.gz	TUPHQQMJMNZALJ-QHCPKHFHSA-N	1	0	482.533	3.005	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccs1	ZINC000020219719	555715496	/nfs/dbraw/zinc/71/54/96/555715496.db2.gz	ACUWOZXOPCDCJW-IBGZPJMESA-N	1	0	459.568	3.400	50	30		JGEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000020328959	555774844	/nfs/dbraw/zinc/77/48/44/555774844.db2.gz	DCNJOJRKDQOABP-HSZRJFAPSA-N	1	0	466.534	3.474	50	30		JGEARO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	ZINC000023753549	556087593	/nfs/dbraw/zinc/08/75/93/556087593.db2.gz	RJPKVFCORJFKAM-UHFFFAOYSA-N	1	0	480.634	3.010	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F	ZINC000016729462	556154922	/nfs/dbraw/zinc/15/49/22/556154922.db2.gz	UUBRFPCDEQMCIE-HXUWFJFHSA-N	1	0	457.458	3.273	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC	ZINC000016946148	556183302	/nfs/dbraw/zinc/18/33/02/556183302.db2.gz	HCFQANOUNFNAJJ-DEOSSOPVSA-N	1	0	490.560	3.338	50	30		JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000017146959	556226364	/nfs/dbraw/zinc/22/63/64/556226364.db2.gz	KLPDMRDLKYNIAW-QFIPXVFZSA-N	1	0	484.549	3.169	50	30		JGEARO
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1	ZINC000018153632	556294675	/nfs/dbraw/zinc/29/46/75/556294675.db2.gz	HSYLKWOGXFYBKR-QHCPKHFHSA-N	1	0	482.533	3.005	50	30		JGEARO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985445	556361732	/nfs/dbraw/zinc/36/17/32/556361732.db2.gz	QSPUMIRAUCABOJ-UHFFFAOYSA-N	1	0	485.514	3.299	50	30		JGEARO
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)O[C@@H]1C2	ZINC000082053602	569707975	/nfs/dbraw/zinc/70/79/75/569707975.db2.gz	HKCGPXDYAIWCMR-UBJUCSNMSA-N	1	0	468.594	3.060	50	30	biogenic	JGEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCC3)[C@H]2c2ccc3c(c2)OCO3)cc1OC	ZINC000085413436	569710691	/nfs/dbraw/zinc/71/06/91/569710691.db2.gz	OAZVMTODXGIVPA-QHCPKHFHSA-N	1	0	480.517	3.107	50	30		JGEARO
C[NH+](C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3C#N)C[C@H]12	ZINC000035871425	569718698	/nfs/dbraw/zinc/71/86/98/569718698.db2.gz	HPFXGNUCIUNHIS-NZQKXSOJSA-N	1	0	471.527	3.122	50	30		JGEARO
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+]2CCCC2)cc2c1OCO2	ZINC000096335810	569740169	/nfs/dbraw/zinc/74/01/69/569740169.db2.gz	AWPLLYCQIDJLKK-LJQANCHMSA-N	1	0	456.520	3.160	50	30		JGEARO
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+](C)C	ZINC000101254329	569788180	/nfs/dbraw/zinc/78/81/80/569788180.db2.gz	DYHKMQFNXQPTCP-PWBNPAGMSA-N	1	0	485.540	3.493	50	30		JGEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101287498	569789471	/nfs/dbraw/zinc/78/94/71/569789471.db2.gz	LHQUBZYWNOSBNT-MRJHHRETSA-N	1	0	451.479	3.143	50	30		JGEARO
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000101297227	569790120	/nfs/dbraw/zinc/79/01/20/569790120.db2.gz	VRFAQACSPXDKOR-BUANBSPESA-N	1	0	495.576	3.356	50	30		JGEARO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101928255	569807955	/nfs/dbraw/zinc/80/79/55/569807955.db2.gz	NGGIDWAJMBSNFI-JBCNATCCSA-N	1	0	453.495	3.365	50	30		JGEARO
COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102857108	569824621	/nfs/dbraw/zinc/82/46/21/569824621.db2.gz	LSXHRAKOEKIUKL-ZHHPLPSFSA-N	1	0	460.534	3.173	50	30		JGEARO
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c1C	ZINC000102928990	569827360	/nfs/dbraw/zinc/82/73/60/569827360.db2.gz	WRHQWDPSONYBJE-PGVNHDJNSA-N	1	0	453.539	3.182	50	30		JGEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000102931680	569828643	/nfs/dbraw/zinc/82/86/43/569828643.db2.gz	UOOHJVSHMDKYFA-MOBKVPTQSA-N	1	0	483.521	3.376	50	30		JGEARO
C=CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1	ZINC000169679918	569870130	/nfs/dbraw/zinc/87/01/30/569870130.db2.gz	LCIQZVVHSTZSFY-YKSBVNFPSA-N	1	0	486.634	3.289	50	30		JGEARO
C#CCOC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C1CC1	ZINC000230111612	570045084	/nfs/dbraw/zinc/04/50/84/570045084.db2.gz	SYXUAWAYZRJXFY-ZJSXRUAMSA-N	1	0	468.619	3.036	50	30		JGEARO
C=CCOC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1	ZINC000245328355	570065700	/nfs/dbraw/zinc/06/57/00/570065700.db2.gz	NYVQDPNVDHMBKT-NFBKMPQASA-N	1	0	474.598	3.420	50	30		JGEARO
COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(OC)cc2OC)OCO3)C1	ZINC000252441507	570080610	/nfs/dbraw/zinc/08/06/10/570080610.db2.gz	ZNTFNJSRIWXRLN-MFRZQGIHSA-N	1	0	484.525	3.013	50	30		JGEARO