smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN(C)C)c1OC	ZINC000102508088	130162655	/nfs/dbraw/zinc/16/26/55/130162655.db2.gz	AFPKBMRDGYCEBS-PGVNHDJNSA-N	0	3	478.549	2.952	50	30		JFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102513263	130166754	/nfs/dbraw/zinc/16/67/54/130166754.db2.gz	WWYNWRHRMOLKEO-MRJHHRETSA-N	0	3	451.479	2.657	50	30		JFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000020547313	521754534	/nfs/dbraw/zinc/75/45/34/521754534.db2.gz	RVPPQVXFCBSTSL-QFIPXVFZSA-N	0	3	451.523	2.664	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)cc1	ZINC000009041283	522161942	/nfs/dbraw/zinc/16/19/42/522161942.db2.gz	QILCVWBSVWLCDM-JOCHJYFZSA-N	0	3	476.533	2.959	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009041283	522161949	/nfs/dbraw/zinc/16/19/49/522161949.db2.gz	QILCVWBSVWLCDM-JOCHJYFZSA-N	0	3	476.533	2.959	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009349787	522171698	/nfs/dbraw/zinc/17/16/98/522171698.db2.gz	JIBHJOMOJZPCPA-QRQCRPRQSA-N	0	3	464.518	2.937	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1cccc(F)c1	ZINC000102749677	535832651	/nfs/dbraw/zinc/83/26/51/535832651.db2.gz	NCVQCYXEMACLTF-NHFXJNLRSA-N	0	3	453.470	2.644	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102721531	535833923	/nfs/dbraw/zinc/83/39/23/535833923.db2.gz	IMLXFECZWBZOMV-JBCNATCCSA-N	0	3	467.478	2.739	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102706354	536565795	/nfs/dbraw/zinc/56/57/95/536565795.db2.gz	KCQVCQUDAVLPPT-MRJHHRETSA-N	0	3	470.522	2.704	50	30		JFEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020025022	555603117	/nfs/dbraw/zinc/60/31/17/555603117.db2.gz	ZNDZZWOJYRFGKA-QFIPXVFZSA-N	0	3	485.606	2.775	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000012757837	556108662	/nfs/dbraw/zinc/10/86/62/556108662.db2.gz	HSQKAURRTADZFQ-NRFANRHFSA-N	0	3	469.538	2.957	50	30		JFEAHN
CCN=C(NCc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000100074673	569752561	/nfs/dbraw/zinc/75/25/61/569752561.db2.gz	BUEHPYQPARQBJN-LJQANCHMSA-N	0	3	469.519	2.733	50	30		JFEAHN
COc1ccc(CSCC(=O)C(C#N)C(=O)N2CCn3c4ccccc4nc32)cc1[N+](=O)[O-]	ZINC000103613613	569836690	/nfs/dbraw/zinc/83/66/90/569836690.db2.gz	VSCJVAHPMYLCKM-OAHLLOKOSA-N	0	3	465.491	2.942	50	30		JFEAHN
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCN3CCCCC3)[C@H]2C1	ZINC000230134699	570045668	/nfs/dbraw/zinc/04/56/68/570045668.db2.gz	HDISGDZFEQBCTA-ZEQKJWHPSA-N	0	3	488.592	2.936	50	30		JFEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000009354126	124113220	/nfs/dbraw/zinc/11/32/20/124113220.db2.gz	DEIZTHAXQLDCNU-AYWGPLOBSA-N	0	3	482.533	2.848	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102494932	130149209	/nfs/dbraw/zinc/14/92/09/130149209.db2.gz	RNVPLSOQLGPWDT-HFEWCJDKSA-N	0	3	499.564	2.809	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102505810	130160126	/nfs/dbraw/zinc/16/01/26/130160126.db2.gz	JGOLXXNHDBVHEL-QOJBNDRUSA-N	0	3	484.509	2.700	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102538398	130193043	/nfs/dbraw/zinc/19/30/43/130193043.db2.gz	XWPITKAJEKJQOI-OBVHCKHUSA-N	0	3	497.548	2.578	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000102879364	130354184	/nfs/dbraw/zinc/35/41/84/130354184.db2.gz	GRILFZIGGKYGFD-PGVNHDJNSA-N	0	3	499.564	2.809	50	30		JFEAHN
C=CCn1c(=O)c(=O)n(CC(=O)NCC2CCN(Cc3ccccc3F)CC2)c2ccccc21	ZINC000033268771	519152370	/nfs/dbraw/zinc/15/23/70/519152370.db2.gz	DFYSWPHOWQMSKQ-UHFFFAOYSA-N	0	3	464.541	2.517	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000009271681	520654641	/nfs/dbraw/zinc/65/46/41/520654641.db2.gz	XYYHVGUKTUYPPV-JBCNATCCSA-N	0	3	469.538	2.871	50	30		JFEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000009470696	520877841	/nfs/dbraw/zinc/87/78/41/520877841.db2.gz	LIDIIXZQNREIDA-FQEVSTJZSA-N	0	3	456.451	2.581	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000004039836	521359564	/nfs/dbraw/zinc/35/95/64/521359564.db2.gz	OEWDYLWFHUJFFA-NRFANRHFSA-N	0	3	499.564	2.965	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000009069158	523553821	/nfs/dbraw/zinc/55/38/21/523553821.db2.gz	LTNSJWPRARAUNG-JOCHJYFZSA-N	0	3	481.505	2.904	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009301899	524021437	/nfs/dbraw/zinc/02/14/37/524021437.db2.gz	GLALVWCPLSZQOS-QFIPXVFZSA-N	0	3	499.564	2.965	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000009271326	524021546	/nfs/dbraw/zinc/02/15/46/524021546.db2.gz	NUUHMUZAWNBHQV-OAQYLSRUSA-N	0	3	499.564	2.965	50	30	biogenic	JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000009046809	524021671	/nfs/dbraw/zinc/02/16/71/524021671.db2.gz	LPCMYLUNQOVQPO-OAQYLSRUSA-N	0	3	469.538	2.957	50	30		JFEAHN
Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccccc4n4c3c(C#N)c(C)cc4=O)CC2)cc1	ZINC000020478372	524963668	/nfs/dbraw/zinc/96/36/68/524963668.db2.gz	OEISZUVVAYNVBQ-QFIPXVFZSA-N	0	3	455.562	2.926	50	30		JFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009042955	527091310	/nfs/dbraw/zinc/09/13/10/527091310.db2.gz	CDEOBMAMVYIHPR-HXUWFJFHSA-N	0	3	463.494	2.999	50	30		JFEAHN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NC1CCN(Cc2ccccc2)CC1	ZINC000009579939	527339253	/nfs/dbraw/zinc/33/92/53/527339253.db2.gz	SSVFEKWRNMKPOJ-UHFFFAOYSA-N	0	3	473.555	2.680	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1cccc(F)c1	ZINC000102749679	535832718	/nfs/dbraw/zinc/83/27/18/535832718.db2.gz	NCVQCYXEMACLTF-YDJIHCHBSA-N	0	3	453.470	2.644	50	30		JFEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000008744005	554647038	/nfs/dbraw/zinc/64/70/38/554647038.db2.gz	GXXXDWCTGCZZTH-MOBKVPTQSA-N	0	3	485.606	2.619	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000008905375	554799689	/nfs/dbraw/zinc/79/96/89/554799689.db2.gz	QILWSGWMMNGJJD-NRFANRHFSA-N	0	3	467.478	2.514	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000019883200	555527693	/nfs/dbraw/zinc/52/76/93/555527693.db2.gz	AOEWDBOVZMMWBY-NRFANRHFSA-N	0	3	489.569	2.606	50	30		JFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013722763	555598146	/nfs/dbraw/zinc/59/81/46/555598146.db2.gz	JSMJMYOQGMWZNB-OAQYLSRUSA-N	0	3	456.543	2.584	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccc1F	ZINC000013733160	555604793	/nfs/dbraw/zinc/60/47/93/555604793.db2.gz	GRZUBAYSLKUXCX-FQEVSTJZSA-N	0	3	453.470	2.801	50	30		JFEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020219522	555714877	/nfs/dbraw/zinc/71/48/77/555714877.db2.gz	KRUOMURMDFXXER-JOCHJYFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1	ZINC000020219714	555715549	/nfs/dbraw/zinc/71/55/49/555715549.db2.gz	WMFNMVCALMXFCR-HXUWFJFHSA-N	0	3	454.527	2.733	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020231222	555721383	/nfs/dbraw/zinc/72/13/83/555721383.db2.gz	MPLLXUGXIVKLAW-NRFANRHFSA-N	0	3	467.478	2.896	50	30		JFEAHN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024192886	556125784	/nfs/dbraw/zinc/12/57/84/556125784.db2.gz	PBLNAHDFUJBWRY-RUZDIDTESA-N	0	3	451.498	2.795	50	30		JFEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000016734927	556156162	/nfs/dbraw/zinc/15/61/62/556156162.db2.gz	QGEFFTIWXHXCNC-RUZDIDTESA-N	0	3	451.498	2.876	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@H](c3ccccn3)C2C1=O	ZINC000100326793	569757511	/nfs/dbraw/zinc/75/75/11/569757511.db2.gz	LEXVLUIKHGUXOM-YQVWRLOYSA-N	0	3	499.504	2.713	50	30		JFEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCN(C)C	ZINC000102931977	569828564	/nfs/dbraw/zinc/82/85/64/569828564.db2.gz	CTQHKNLSBBTAQP-MOBKVPTQSA-N	0	3	452.507	2.840	50	30		JFEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCN(C)C	ZINC000102931975	569828662	/nfs/dbraw/zinc/82/86/62/569828662.db2.gz	CTQHKNLSBBTAQP-HOGKFDNTSA-N	0	3	452.507	2.840	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000103572501	569836313	/nfs/dbraw/zinc/83/63/13/569836313.db2.gz	CZNRMKQBEZJXCZ-OBVHCKHUSA-N	0	3	499.564	2.809	50	30		JFEAHN
COc1ccc(CSCC(=O)C(C#N)C(=O)N2CCn3c4ccccc4nc32)cc1[N+](=O)[O-]	ZINC000103613617	569836701	/nfs/dbraw/zinc/83/67/01/569836701.db2.gz	VSCJVAHPMYLCKM-HNNXBMFYSA-N	0	3	465.491	2.942	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102513212	130166668	/nfs/dbraw/zinc/16/66/68/130166668.db2.gz	COMAMCHQAHVKIU-OBVHCKHUSA-N	0	3	469.538	2.800	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102514728	130168032	/nfs/dbraw/zinc/16/80/32/130168032.db2.gz	GCACQVWGRQZMHS-HOGKFDNTSA-N	0	3	482.533	2.848	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000102530486	130184141	/nfs/dbraw/zinc/18/41/41/130184141.db2.gz	HLJPAGOWTOTPRA-AYWGPLOBSA-N	0	3	482.533	2.848	50	30		JFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000102587894	130217656	/nfs/dbraw/zinc/21/76/56/130217656.db2.gz	LCIABYSFVABTPA-HOGKFDNTSA-N	0	3	451.523	2.507	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102652942	130232839	/nfs/dbraw/zinc/23/28/39/130232839.db2.gz	QCDIWFKITDXXJT-IUOUCKIRSA-N	0	3	464.518	2.780	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102706075	130252018	/nfs/dbraw/zinc/25/20/18/130252018.db2.gz	SAPVZRLGBCTWHH-HOGKFDNTSA-N	0	3	452.507	2.840	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102863623	130335281	/nfs/dbraw/zinc/33/52/81/130335281.db2.gz	USBZSJABXZNCOF-HFEWCJDKSA-N	0	3	499.564	2.809	50	30		JFEAHN
C=CCOc1ccccc1CN1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCCN(C)CC1	ZINC000012245085	519072999	/nfs/dbraw/zinc/07/29/99/519072999.db2.gz	ROTKVCFJOARZRG-YADHBBJMSA-N	0	3	469.655	2.884	50	30		JFEAHN
C=CCn1cc(C(=O)NCCN(CC)CC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21	ZINC000009731278	519275293	/nfs/dbraw/zinc/27/52/93/519275293.db2.gz	OSYHMOLUZGEWEH-UHFFFAOYSA-N	0	3	488.654	2.824	50	30		JFEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000015953345	521730952	/nfs/dbraw/zinc/73/09/52/521730952.db2.gz	NNPJEQRLIJYZJH-SANMLTNESA-N	0	3	463.534	2.746	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c1C	ZINC000004039463	524021402	/nfs/dbraw/zinc/02/14/02/524021402.db2.gz	BISPJIANTFGQEH-FQEVSTJZSA-N	0	3	455.511	2.567	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000008904021	554798217	/nfs/dbraw/zinc/79/82/17/554798217.db2.gz	FOHRWMABDPFMRN-HXUWFJFHSA-N	0	3	455.511	2.567	50	30		JFEAHN
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)N2CCCC2)cc1	ZINC000009494813	555279084	/nfs/dbraw/zinc/27/90/84/555279084.db2.gz	SOXNRTXAFXXNTL-VWLOTQADSA-N	0	3	496.633	2.921	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219328	555713838	/nfs/dbraw/zinc/71/38/38/555713838.db2.gz	UBVCOGJKLKHRBH-QFIPXVFZSA-N	0	3	480.517	2.774	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020231225	555721446	/nfs/dbraw/zinc/72/14/46/555721446.db2.gz	MPLLXUGXIVKLAW-OAQYLSRUSA-N	0	3	467.478	2.896	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@@]23c2ccccc2N(C)C3=O)cc1C	ZINC000024147252	556123796	/nfs/dbraw/zinc/12/37/96/556123796.db2.gz	AVHXMRNWTYOEKG-SANMLTNESA-N	0	3	463.534	2.664	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1	ZINC000013127574	556343767	/nfs/dbraw/zinc/34/37/67/556343767.db2.gz	ADEZUDIQZPKPMG-FQEVSTJZSA-N	0	3	454.527	2.733	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102865267	569825536	/nfs/dbraw/zinc/82/55/36/569825536.db2.gz	PSARUJBWYHGEEL-QOJBNDRUSA-N	0	3	457.502	2.931	50	30		JFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102933245	569829077	/nfs/dbraw/zinc/82/90/77/569829077.db2.gz	ZBSQKVQJHVZHKM-IAMBOQNYSA-N	0	3	478.549	2.952	50	30		JFEAHN
COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)cc1	ZINC000009950762	195033513	/nfs/dbraw/zinc/03/35/13/195033513.db2.gz	FYUPNXDMUKMXKU-DEOSSOPVSA-N	0	3	496.633	2.921	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102521403	130173911	/nfs/dbraw/zinc/17/39/11/130173911.db2.gz	HLRPYPDUDDLGMZ-QOJBNDRUSA-N	0	3	484.509	2.700	50	30		JFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102522927	130175256	/nfs/dbraw/zinc/17/52/56/130175256.db2.gz	BAXHHMSTJYIGPG-AYWGPLOBSA-N	0	3	482.533	2.848	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102528976	130182319	/nfs/dbraw/zinc/18/23/19/130182319.db2.gz	BDLNBUINEUNJHU-OBVHCKHUSA-N	0	3	469.538	2.800	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102532511	130186421	/nfs/dbraw/zinc/18/64/21/130186421.db2.gz	KYWNVPCLANSZDX-HOGKFDNTSA-N	0	3	452.507	2.840	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102863624	130335130	/nfs/dbraw/zinc/33/51/30/130335130.db2.gz	USBZSJABXZNCOF-IAMBOQNYSA-N	0	3	499.564	2.809	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000009046802	524021025	/nfs/dbraw/zinc/02/10/25/524021025.db2.gz	VZBYROZUDKATKY-OAQYLSRUSA-N	0	3	469.538	2.957	50	30	biogenic	JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000004039464	524021643	/nfs/dbraw/zinc/02/16/43/524021643.db2.gz	BISPJIANTFGQEH-HXUWFJFHSA-N	0	3	455.511	2.567	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009312650	525383668	/nfs/dbraw/zinc/38/36/68/525383668.db2.gz	JGGDEBLOWSSJBJ-AYWGPLOBSA-N	0	3	482.533	2.848	50	30		JFEAHN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccccc2)cc1	ZINC000102436490	536103423	/nfs/dbraw/zinc/10/34/23/536103423.db2.gz	KRJFEQANKSQSTH-ZHHPLPSFSA-N	0	3	497.617	2.845	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008740737	554642910	/nfs/dbraw/zinc/64/29/10/554642910.db2.gz	KCQVCQUDAVLPPT-JBCNATCCSA-N	0	3	470.522	2.704	50	30		JFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000008919567	554816234	/nfs/dbraw/zinc/81/62/34/554816234.db2.gz	UZYNUDIFANNQAX-OAQYLSRUSA-N	0	3	451.479	2.814	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008981302	554847077	/nfs/dbraw/zinc/84/70/77/554847077.db2.gz	YYFQTCCHMUHTDM-OAQYLSRUSA-N	0	3	497.548	2.735	50	30		JFEAHN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN(C)C)[C@@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861534	555520236	/nfs/dbraw/zinc/52/02/36/555520236.db2.gz	DDWDKADYHIYZIP-OQRWROFFSA-N	0	3	475.545	2.671	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1cccc(F)c1	ZINC000013682937	555576509	/nfs/dbraw/zinc/57/65/09/555576509.db2.gz	LBOSKJFELWQDRL-FQEVSTJZSA-N	0	3	453.470	2.801	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000013722016	555597847	/nfs/dbraw/zinc/59/78/47/555597847.db2.gz	ZRQQRDKGUPCWFS-HXUWFJFHSA-N	0	3	456.543	2.584	50	30		JFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013722760	555598157	/nfs/dbraw/zinc/59/81/57/555598157.db2.gz	JSMJMYOQGMWZNB-NRFANRHFSA-N	0	3	456.543	2.584	50	30		JFEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020025025	555603140	/nfs/dbraw/zinc/60/31/40/555603140.db2.gz	ZNDZZWOJYRFGKA-JOCHJYFZSA-N	0	3	485.606	2.775	50	30		JFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020193147	555694356	/nfs/dbraw/zinc/69/43/56/555694356.db2.gz	GNUDKHDVSPYYSX-JOCHJYFZSA-N	0	3	468.506	2.963	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020231467	555721300	/nfs/dbraw/zinc/72/13/00/555721300.db2.gz	UWTLPVYTUJMDOU-JOCHJYFZSA-N	0	3	468.506	2.615	50	30		JFEAHN
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1	ZINC000014245171	555747456	/nfs/dbraw/zinc/74/74/56/555747456.db2.gz	FWXUKWNRCBGMIL-DEOSSOPVSA-N	0	3	466.607	2.912	50	30		JFEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147434	556123697	/nfs/dbraw/zinc/12/36/97/556123697.db2.gz	RRKXRJMSJWDKKT-SANMLTNESA-N	0	3	463.534	2.746	50	30		JFEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000016734930	556156168	/nfs/dbraw/zinc/15/61/68/556156168.db2.gz	QGEFFTIWXHXCNC-VWLOTQADSA-N	0	3	451.498	2.876	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)C2C1=O	ZINC000100326792	569757479	/nfs/dbraw/zinc/75/74/79/569757479.db2.gz	LEXVLUIKHGUXOM-LMMKCTJWSA-N	0	3	499.504	2.713	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102865265	569825554	/nfs/dbraw/zinc/82/55/54/569825554.db2.gz	PSARUJBWYHGEEL-ASBZNUFUSA-N	0	3	457.502	2.931	50	30		JFEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102934704	569829193	/nfs/dbraw/zinc/82/91/93/569829193.db2.gz	GPPQKFPVAGYOAJ-PGVNHDJNSA-N	0	3	463.494	2.924	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000102513203	130166732	/nfs/dbraw/zinc/16/67/32/130166732.db2.gz	COMAMCHQAHVKIU-PGVNHDJNSA-N	0	3	469.538	2.800	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000102528967	130182152	/nfs/dbraw/zinc/18/21/52/130182152.db2.gz	BDLNBUINEUNJHU-PGVNHDJNSA-N	0	3	469.538	2.800	50	30		JFEAHN
COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000102700330	130246503	/nfs/dbraw/zinc/24/65/03/130246503.db2.gz	OVFBBZKQTCQSDH-YDJIHCHBSA-N	0	3	458.511	2.987	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102860596	130331516	/nfs/dbraw/zinc/33/15/16/130331516.db2.gz	ZLKQTTMEYPEILV-OBVHCKHUSA-N	0	3	497.548	2.578	50	30		JFEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009243165	519010552	/nfs/dbraw/zinc/01/05/52/519010552.db2.gz	MLNBCGJCLBYMRD-MOBKVPTQSA-N	0	3	452.507	2.949	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1	ZINC000009123739	520649103	/nfs/dbraw/zinc/64/91/03/520649103.db2.gz	ZYIXAQDJTCIYDT-QOJBNDRUSA-N	0	3	454.527	2.577	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000009270997	521360870	/nfs/dbraw/zinc/36/08/70/521360870.db2.gz	AMVFWWPJKKJWGJ-OAQYLSRUSA-N	0	3	469.538	2.957	50	30		JFEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCCN(C)C	ZINC000020357741	521730961	/nfs/dbraw/zinc/73/09/61/521730961.db2.gz	SBEWGDSVXYKFCN-MHZLTWQESA-N	0	3	491.544	2.509	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCN(C)C)c1OC	ZINC000009333792	524107388	/nfs/dbraw/zinc/10/73/88/524107388.db2.gz	YQDZTHKIURPTGP-OAQYLSRUSA-N	0	3	464.522	2.800	50	30		JFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000008744130	524169026	/nfs/dbraw/zinc/16/90/26/524169026.db2.gz	SAPVZRLGBCTWHH-MOBKVPTQSA-N	0	3	452.507	2.840	50	30		JFEAHN
Cc1ccccc1N1CCN(C[C@H](O)Cn2c3ccccc3n3c2c(C#N)c(C)cc3=O)CC1	ZINC000020472817	525224751	/nfs/dbraw/zinc/22/47/51/525224751.db2.gz	JVBZYEJFUGOLQV-NRFANRHFSA-N	0	3	455.562	2.926	50	30		JFEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000008744004	554646896	/nfs/dbraw/zinc/64/68/96/554646896.db2.gz	GXXXDWCTGCZZTH-HOGKFDNTSA-N	0	3	485.606	2.619	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000008835985	554735485	/nfs/dbraw/zinc/73/54/85/554735485.db2.gz	LDAJJLBPGZNJND-NRFANRHFSA-N	0	3	485.537	2.575	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008987959	554850497	/nfs/dbraw/zinc/85/04/97/554850497.db2.gz	APEMUQOQONXZRT-HXUWFJFHSA-N	0	3	484.509	2.856	50	30		JFEAHN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN(C)C)[C@@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861532	555520250	/nfs/dbraw/zinc/52/02/50/555520250.db2.gz	DDWDKADYHIYZIP-JWIGPWBQSA-N	0	3	475.545	2.671	50	30		JFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000019928274	555543624	/nfs/dbraw/zinc/54/36/24/555543624.db2.gz	ZJHIEBBPHYOHBG-HXUWFJFHSA-N	0	3	491.997	2.730	50	30		JFEAHN
O=C(c1cccs1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1[N+](=O)[O-]	ZINC000020103135	555635623	/nfs/dbraw/zinc/63/56/23/555635623.db2.gz	QCJAVZZVRUKSCL-IBGZPJMESA-N	0	3	457.508	2.957	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020193136	555694338	/nfs/dbraw/zinc/69/43/38/555694338.db2.gz	YMJNERGPFAQSLG-FQEVSTJZSA-N	0	3	453.451	2.854	50	30		JFEAHN
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)cc1	ZINC000014245170	555747517	/nfs/dbraw/zinc/74/75/17/555747517.db2.gz	FWXUKWNRCBGMIL-XMMPIXPASA-N	0	3	466.607	2.912	50	30		JFEAHN
C=CCN(CC=C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(C)C	ZINC000023074874	556004530	/nfs/dbraw/zinc/00/45/30/556004530.db2.gz	DDXBISAKAPOUJA-FQEVSTJZSA-N	0	3	452.577	2.726	50	30		JFEAHN
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCN3CCCCC3)[C@@H]2C1	ZINC000035894760	569723175	/nfs/dbraw/zinc/72/31/75/569723175.db2.gz	HDISGDZFEQBCTA-OZXSUGGESA-N	0	3	488.592	2.936	50	30		JFEAHN
CC[NH+](CC)CCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC	ZINC000040151666	569819831	/nfs/dbraw/zinc/81/98/31/569819831.db2.gz	QQPKORHYFZZVIN-UHFFFAOYSA-N	0	3	454.571	2.842	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102494940	130149246	/nfs/dbraw/zinc/14/92/46/130149246.db2.gz	RNVPLSOQLGPWDT-IAMBOQNYSA-N	0	3	499.564	2.809	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c1C	ZINC000102520382	130173068	/nfs/dbraw/zinc/17/30/68/130173068.db2.gz	VBVOVFYFUIOYCT-QOJBNDRUSA-N	0	3	454.527	2.577	50	30		JFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102587898	130217868	/nfs/dbraw/zinc/21/78/68/130217868.db2.gz	LCIABYSFVABTPA-MOBKVPTQSA-N	0	3	451.523	2.507	50	30		JFEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102864279	130335969	/nfs/dbraw/zinc/33/59/69/130335969.db2.gz	UIHDCDHSZNDZJT-PGVNHDJNSA-N	0	3	463.494	2.924	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009235172	521360680	/nfs/dbraw/zinc/36/06/80/521360680.db2.gz	RFKKYFDYZBTEKG-JOCHJYFZSA-N	0	3	499.564	2.965	50	30		JFEAHN
CCN=C(NCc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000012411854	521509457	/nfs/dbraw/zinc/50/94/57/521509457.db2.gz	BUEHPYQPARQBJN-IBGZPJMESA-N	0	3	469.519	2.733	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009349791	522164623	/nfs/dbraw/zinc/16/46/23/522164623.db2.gz	JIBHJOMOJZPCPA-OYHNWAKOSA-N	0	3	464.518	2.937	50	30		JFEAHN
COc1cc(OC)c([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020443640	522834039	/nfs/dbraw/zinc/83/40/39/522834039.db2.gz	MWMOEOVTSGVMPM-NRFANRHFSA-N	0	3	455.511	2.637	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000009270275	523372220	/nfs/dbraw/zinc/37/22/20/523372220.db2.gz	VULCMNAPGRCBIZ-JBCNATCCSA-N	0	3	469.494	2.985	50	30		JFEAHN
Cc1ccccc1N1CCN(C[C@@H](O)Cn2c3ccccc3n3c2c(C#N)c(C)cc3=O)CC1	ZINC000020472815	525224321	/nfs/dbraw/zinc/22/43/21/525224321.db2.gz	JVBZYEJFUGOLQV-OAQYLSRUSA-N	0	3	455.562	2.926	50	30		JFEAHN
CC1(C)Cc2c(C#N)c(SCC(=O)NCCc3ccccc3)nc(N3CCNCC3)c2CO1	ZINC000013692723	555587374	/nfs/dbraw/zinc/58/73/74/555587374.db2.gz	KHVRUYXZHXLCIU-UHFFFAOYSA-N	0	3	465.623	2.665	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccs1	ZINC000020024598	555602655	/nfs/dbraw/zinc/60/26/55/555602655.db2.gz	JRIWBNVLGHYEDT-LJQANCHMSA-N	0	3	477.608	2.528	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219329	555713781	/nfs/dbraw/zinc/71/37/81/555713781.db2.gz	UBVCOGJKLKHRBH-JOCHJYFZSA-N	0	3	480.517	2.774	50	30		JFEAHN
C=CCN(CC=C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(C)C	ZINC000023074872	556004554	/nfs/dbraw/zinc/00/45/54/556004554.db2.gz	DDXBISAKAPOUJA-HXUWFJFHSA-N	0	3	452.577	2.726	50	30		JFEAHN
C=CCN(CC=C)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C	ZINC000032810026	556500174	/nfs/dbraw/zinc/50/01/74/556500174.db2.gz	WDSNIRDWJDBVJA-JOCHJYFZSA-N	0	3	475.659	2.571	50	30		JFEAHN
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)CC1	ZINC000035336468	569681178	/nfs/dbraw/zinc/68/11/78/569681178.db2.gz	RUALKWNLKODISE-GOSISDBHSA-N	0	3	485.591	2.598	50	30		JFEAHN
C=CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249716	569757913	/nfs/dbraw/zinc/75/79/13/569757913.db2.gz	CPPDPIZWZYEQTB-NRFANRHFSA-N	0	3	463.550	2.719	50	30		JFEAHN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245326578	570064893	/nfs/dbraw/zinc/06/48/93/570064893.db2.gz	GECHBLIUADRXSI-XUZZJYLKSA-N	0	3	468.619	2.976	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@H](c3ccccn3)C2C1=O	ZINC000252427942	570080240	/nfs/dbraw/zinc/08/02/40/570080240.db2.gz	LEXVLUIKHGUXOM-JENIJYKNSA-N	0	3	499.504	2.713	50	30		JFEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009353823	124112948	/nfs/dbraw/zinc/11/29/48/124112948.db2.gz	OYZRBYVFURRCTC-MOBKVPTQSA-N	0	3	452.507	2.840	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1	ZINC000102538597	130193565	/nfs/dbraw/zinc/19/35/65/130193565.db2.gz	QNROZQWKVWBMPE-ASBZNUFUSA-N	0	3	454.527	2.577	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)c1C	ZINC000102543527	130199910	/nfs/dbraw/zinc/19/99/10/130199910.db2.gz	DIHWUFHWFQKZKZ-ASBZNUFUSA-N	0	3	457.502	2.931	50	30		JFEAHN
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000102570396	130213510	/nfs/dbraw/zinc/21/35/10/130213510.db2.gz	SISMFQXCMIMVKI-MRJHHRETSA-N	0	3	469.469	2.878	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000102879366	130354028	/nfs/dbraw/zinc/35/40/28/130354028.db2.gz	GRILFZIGGKYGFD-OBVHCKHUSA-N	0	3	499.564	2.809	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009349788	522172224	/nfs/dbraw/zinc/17/22/24/522172224.db2.gz	JIBHJOMOJZPCPA-NYHFZMIOSA-N	0	3	464.518	2.937	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000009270488	523372291	/nfs/dbraw/zinc/37/22/91/523372291.db2.gz	VULCMNAPGRCBIZ-MRJHHRETSA-N	0	3	469.494	2.985	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000009271325	524020973	/nfs/dbraw/zinc/02/09/73/524020973.db2.gz	NUUHMUZAWNBHQV-NRFANRHFSA-N	0	3	499.564	2.965	50	30	biogenic	JFEAHN
Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccccc4n4c3c(C#N)c(C)cc4=O)CC2)cc1	ZINC000020478368	524962428	/nfs/dbraw/zinc/96/24/28/524962428.db2.gz	OEISZUVVAYNVBQ-JOCHJYFZSA-N	0	3	455.562	2.926	50	30		JFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009123371	527092485	/nfs/dbraw/zinc/09/24/85/527092485.db2.gz	CDEOBMAMVYIHPR-FQEVSTJZSA-N	0	3	463.494	2.999	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102731995	535833003	/nfs/dbraw/zinc/83/30/03/535833003.db2.gz	ZNNVLFMJHBEKJY-MRJHHRETSA-N	0	3	467.478	2.739	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102721535	535833853	/nfs/dbraw/zinc/83/38/53/535833853.db2.gz	IMLXFECZWBZOMV-MRJHHRETSA-N	0	3	467.478	2.739	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008987577	554850169	/nfs/dbraw/zinc/85/01/69/554850169.db2.gz	ZTYCJMGHETUPEQ-MOBKVPTQSA-N	0	3	470.522	2.704	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1F	ZINC000019883250	555527737	/nfs/dbraw/zinc/52/77/37/555527737.db2.gz	WWPNMJNLKYLLIT-OAQYLSRUSA-N	0	3	489.569	2.606	50	30		JFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000019928271	555543515	/nfs/dbraw/zinc/54/35/15/555543515.db2.gz	ZJHIEBBPHYOHBG-FQEVSTJZSA-N	0	3	491.997	2.730	50	30		JFEAHN
COc1ccc(NC(=O)CSc2nc(N3CCNCC3)c3c(c2C#N)CC(C)(C)OC3)c(OC)c1	ZINC000013656399	555555178	/nfs/dbraw/zinc/55/51/78/555555178.db2.gz	BCDOUSNZGMBGGY-UHFFFAOYSA-N	0	3	497.621	2.962	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020228081	555718656	/nfs/dbraw/zinc/71/86/56/555718656.db2.gz	XNHVWCQEUBHTRR-JOCHJYFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@]23c2ccccc2N(C)C3=O)cc1C	ZINC000024147248	556123723	/nfs/dbraw/zinc/12/37/23/556123723.db2.gz	AVHXMRNWTYOEKG-AREMUKBSSA-N	0	3	463.534	2.664	50	30		JFEAHN
C=CCn1c2ncn(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2sc1=S	ZINC000040068599	569815462	/nfs/dbraw/zinc/81/54/62/569815462.db2.gz	HHZFTQRZSQPGPP-UHFFFAOYSA-N	0	3	455.609	2.956	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)ccc2OC)c1C	ZINC000103965383	569839622	/nfs/dbraw/zinc/83/96/22/569839622.db2.gz	NFLQSSIXHZMOIV-IAMBOQNYSA-N	0	3	499.564	2.809	50	30		JFEAHN
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCN3CCCCC3)[C@H]2C1	ZINC000247640610	570068704	/nfs/dbraw/zinc/06/87/04/570068704.db2.gz	HDISGDZFEQBCTA-JYFHCDHNSA-N	0	3	488.592	2.936	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c1C	ZINC000102488772	130142660	/nfs/dbraw/zinc/14/26/60/130142660.db2.gz	ZAOULCNWPJILSJ-QOJBNDRUSA-N	0	3	454.527	2.577	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c1C	ZINC000102520372	130173009	/nfs/dbraw/zinc/17/30/09/130173009.db2.gz	VBVOVFYFUIOYCT-ASBZNUFUSA-N	0	3	454.527	2.577	50	30		JFEAHN
C=CCn1cc(C(=O)NCCN2CCCCCC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000009731227	519275015	/nfs/dbraw/zinc/27/50/15/519275015.db2.gz	DMCMTQVHIMTRNW-UHFFFAOYSA-N	0	3	488.654	2.824	50	30		JFEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000009451867	520878039	/nfs/dbraw/zinc/87/80/39/520878039.db2.gz	LIDIIXZQNREIDA-HXUWFJFHSA-N	0	3	456.451	2.581	50	30		JFEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009353821	521234267	/nfs/dbraw/zinc/23/42/67/521234267.db2.gz	OYZRBYVFURRCTC-HOGKFDNTSA-N	0	3	452.507	2.840	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c1C	ZINC000004039246	521360029	/nfs/dbraw/zinc/36/00/29/521360029.db2.gz	UEOCAYKAVXNGBB-HXUWFJFHSA-N	0	3	454.527	2.733	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000004039838	521361447	/nfs/dbraw/zinc/36/14/47/521361447.db2.gz	OEWDYLWFHUJFFA-OAQYLSRUSA-N	0	3	499.564	2.965	50	30		JFEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCCN(C)C	ZINC000020357738	521731216	/nfs/dbraw/zinc/73/12/16/521731216.db2.gz	SBEWGDSVXYKFCN-HHHXNRCGSA-N	0	3	491.544	2.509	50	30		JFEAHN
COc1cc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000020219574	522956346	/nfs/dbraw/zinc/95/63/46/522956346.db2.gz	URBQFHVHPVYTQJ-FQEVSTJZSA-N	0	3	455.511	2.637	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000009069154	523551449	/nfs/dbraw/zinc/55/14/49/523551449.db2.gz	LTNSJWPRARAUNG-QFIPXVFZSA-N	0	3	481.505	2.904	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000004039873	524020816	/nfs/dbraw/zinc/02/08/16/524020816.db2.gz	UBUINVOZDRIFFQ-HXUWFJFHSA-N	0	3	455.511	2.567	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)ccc2OC)c1C	ZINC000009275626	524021141	/nfs/dbraw/zinc/02/11/41/524021141.db2.gz	WWRADKIBTLWNIY-QFIPXVFZSA-N	0	3	499.564	2.965	50	30	biogenic	JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1c1ccc(F)cc1	ZINC000016742205	524054597	/nfs/dbraw/zinc/05/45/97/524054597.db2.gz	XBJXMQAMVFFFPS-NRFANRHFSA-N	0	3	489.569	2.606	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H]1c1ccc(F)cc1	ZINC000016742206	524055087	/nfs/dbraw/zinc/05/50/87/524055087.db2.gz	XBJXMQAMVFFFPS-OAQYLSRUSA-N	0	3	489.569	2.606	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccc1F	ZINC000102748849	535833584	/nfs/dbraw/zinc/83/35/84/535833584.db2.gz	GVVWXOCFEJTVHC-YDJIHCHBSA-N	0	3	453.470	2.644	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102517452	536563467	/nfs/dbraw/zinc/56/34/67/536563467.db2.gz	VSTHEAFOMFRFFX-HOGKFDNTSA-N	0	3	481.505	2.747	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000008892557	554780967	/nfs/dbraw/zinc/78/09/67/554780967.db2.gz	LDAJJLBPGZNJND-OAQYLSRUSA-N	0	3	485.537	2.575	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000008905380	554799706	/nfs/dbraw/zinc/79/97/06/554799706.db2.gz	QILWSGWMMNGJJD-OAQYLSRUSA-N	0	3	467.478	2.514	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020193138	555694360	/nfs/dbraw/zinc/69/43/60/555694360.db2.gz	YMJNERGPFAQSLG-HXUWFJFHSA-N	0	3	453.451	2.854	50	30		JFEAHN
C=CCN(CC=C)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C	ZINC000012527145	555995707	/nfs/dbraw/zinc/99/57/07/555995707.db2.gz	MJTIOCZRJXAXAD-NRFANRHFSA-N	0	3	452.577	2.726	50	30		JFEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCN(C)C	ZINC000018209674	556310447	/nfs/dbraw/zinc/31/04/47/556310447.db2.gz	ZVDRATKXERBKKE-JOCHJYFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)CC1	ZINC000035336471	569681192	/nfs/dbraw/zinc/68/11/92/569681192.db2.gz	RUALKWNLKODISE-SFHVURJKSA-N	0	3	485.591	2.598	50	30		JFEAHN
Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1	ZINC000067342056	569688492	/nfs/dbraw/zinc/68/84/92/569688492.db2.gz	SFCWJLRLGQCKAM-FGZHOGPDSA-N	0	3	486.663	2.736	50	30		JFEAHN
C=CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249717	569757959	/nfs/dbraw/zinc/75/79/59/569757959.db2.gz	CPPDPIZWZYEQTB-OAQYLSRUSA-N	0	3	463.550	2.719	50	30		JFEAHN
N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCN3CCCCC3)[C@@H]2C1	ZINC000104920252	569847357	/nfs/dbraw/zinc/84/73/57/569847357.db2.gz	HDISGDZFEQBCTA-BVAGGSTKSA-N	0	3	488.592	2.936	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102498036	130152083	/nfs/dbraw/zinc/15/20/83/130152083.db2.gz	JICCUHHCWUPRJQ-JBCNATCCSA-N	0	3	452.507	2.855	50	30		JFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102514740	130168132	/nfs/dbraw/zinc/16/81/32/130168132.db2.gz	GCACQVWGRQZMHS-MOBKVPTQSA-N	0	3	482.533	2.848	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102531162	130184578	/nfs/dbraw/zinc/18/45/78/130184578.db2.gz	CEIOSESUMYVOJI-SELCWUDQSA-N	0	3	457.552	2.920	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c1C	ZINC000009066933	521359688	/nfs/dbraw/zinc/35/96/88/521359688.db2.gz	RCBWSWCIDMXOOS-FQEVSTJZSA-N	0	3	454.527	2.733	50	30		JFEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020546563	521416786	/nfs/dbraw/zinc/41/67/86/521416786.db2.gz	DIFYXSXLUXEWAH-JOCHJYFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
COc1cc(OC)c([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020443645	522830528	/nfs/dbraw/zinc/83/05/28/522830528.db2.gz	MWMOEOVTSGVMPM-OAQYLSRUSA-N	0	3	455.511	2.637	50	30		JFEAHN
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014743953	523803963	/nfs/dbraw/zinc/80/39/63/523803963.db2.gz	OGCHXRFDIUCINF-UHFFFAOYSA-N	0	3	490.604	2.649	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000009046808	524021613	/nfs/dbraw/zinc/02/16/13/524021613.db2.gz	LPCMYLUNQOVQPO-NRFANRHFSA-N	0	3	469.538	2.957	50	30		JFEAHN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCN(C)C)c1OC	ZINC000009339609	524172135	/nfs/dbraw/zinc/17/21/35/524172135.db2.gz	YQDZTHKIURPTGP-NRFANRHFSA-N	0	3	464.522	2.800	50	30		JFEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000006134559	527117332	/nfs/dbraw/zinc/11/73/32/527117332.db2.gz	MDTKQJHETJHBLN-INIZCTEOSA-N	0	3	458.927	2.738	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000102894238	535833336	/nfs/dbraw/zinc/83/33/36/535833336.db2.gz	BAQQYSCXIVPTNJ-ZHHPLPSFSA-N	0	3	465.550	2.897	50	30		JFEAHN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN(C)C)[C@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861528	555520245	/nfs/dbraw/zinc/52/02/45/555520245.db2.gz	DDWDKADYHIYZIP-CHAGWJKLSA-N	0	3	475.545	2.671	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000013688479	555581674	/nfs/dbraw/zinc/58/16/74/555581674.db2.gz	LKIPUAWKDNRRFT-HXUWFJFHSA-N	0	3	454.527	2.641	50	30		JFEAHN
CN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccccc1	ZINC000009983668	555583059	/nfs/dbraw/zinc/58/30/59/555583059.db2.gz	QJTWTJNLJYAZCA-UHFFFAOYSA-N	0	3	454.596	2.597	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219330	555713731	/nfs/dbraw/zinc/71/37/31/555713731.db2.gz	WWKOLJKWMOYKGY-QFIPXVFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000020231463	555721330	/nfs/dbraw/zinc/72/13/30/555721330.db2.gz	UWTLPVYTUJMDOU-QFIPXVFZSA-N	0	3	468.506	2.615	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@H](c3ccccn3)C2C1=O	ZINC000100326796	569757469	/nfs/dbraw/zinc/75/74/69/569757469.db2.gz	LEXVLUIKHGUXOM-ZHALLVOQSA-N	0	3	499.504	2.713	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)C2C1=O	ZINC000100326790	569757486	/nfs/dbraw/zinc/75/74/86/569757486.db2.gz	LEXVLUIKHGUXOM-SCTDSRPQSA-N	0	3	499.504	2.713	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000103572495	569836323	/nfs/dbraw/zinc/83/63/23/569836323.db2.gz	CZNRMKQBEZJXCZ-PGVNHDJNSA-N	0	3	499.564	2.809	50	30		JFEAHN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1	ZINC000245326581	570064989	/nfs/dbraw/zinc/06/49/89/570064989.db2.gz	GECHBLIUADRXSI-ZJSXRUAMSA-N	0	3	468.619	2.976	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102553954	130204566	/nfs/dbraw/zinc/20/45/66/130204566.db2.gz	QCDIWFKITDXXJT-CBLITQMPSA-N	0	3	464.518	2.780	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102652945	130232866	/nfs/dbraw/zinc/23/28/66/130232866.db2.gz	QCDIWFKITDXXJT-IXBTYZTBSA-N	0	3	464.518	2.780	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000102876803	130349416	/nfs/dbraw/zinc/34/94/16/130349416.db2.gz	ZAKPTFAAIZAVSN-PGVNHDJNSA-N	0	3	469.538	2.800	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102880867	130357454	/nfs/dbraw/zinc/35/74/54/130357454.db2.gz	LBXPEMMAPGZIPN-QOJBNDRUSA-N	0	3	484.509	2.700	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000102896436	130378838	/nfs/dbraw/zinc/37/88/38/130378838.db2.gz	RWYZCLZZTCFHLS-HOGKFDNTSA-N	0	3	452.507	2.927	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000009271682	520654220	/nfs/dbraw/zinc/65/42/20/520654220.db2.gz	XYYHVGUKTUYPPV-MRJHHRETSA-N	0	3	469.538	2.871	50	30		JFEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000009375198	521234355	/nfs/dbraw/zinc/23/43/55/521234355.db2.gz	DEIZTHAXQLDCNU-ZHHPLPSFSA-N	0	3	482.533	2.848	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c1C	ZINC000009066937	521360056	/nfs/dbraw/zinc/36/00/56/521360056.db2.gz	RCBWSWCIDMXOOS-HXUWFJFHSA-N	0	3	454.527	2.733	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102731993	535833262	/nfs/dbraw/zinc/83/32/62/535833262.db2.gz	ZNNVLFMJHBEKJY-JBCNATCCSA-N	0	3	467.478	2.739	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008817877	554701140	/nfs/dbraw/zinc/70/11/40/554701140.db2.gz	YYFQTCCHMUHTDM-NRFANRHFSA-N	0	3	497.548	2.735	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000019883202	555527771	/nfs/dbraw/zinc/52/77/71/555527771.db2.gz	AOEWDBOVZMMWBY-OAQYLSRUSA-N	0	3	489.569	2.606	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000013722411	555597819	/nfs/dbraw/zinc/59/78/19/555597819.db2.gz	PHINJTFRYPMKRX-OAQYLSRUSA-N	0	3	454.527	2.641	50	30		JFEAHN
O=C(c1cccs1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1[N+](=O)[O-]	ZINC000020103131	555635630	/nfs/dbraw/zinc/63/56/30/555635630.db2.gz	QCJAVZZVRUKSCL-LJQANCHMSA-N	0	3	457.508	2.957	50	30		JFEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147857	556124128	/nfs/dbraw/zinc/12/41/28/556124128.db2.gz	PMMMNBKBSALCAN-MHZLTWQESA-N	0	3	475.545	2.912	50	30		JFEAHN
Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1	ZINC000067342060	569688440	/nfs/dbraw/zinc/68/84/40/569688440.db2.gz	SFCWJLRLGQCKAM-FCHUYYIVSA-N	0	3	486.663	2.736	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)ccc2OC)c1C	ZINC000103965378	569839620	/nfs/dbraw/zinc/83/96/20/569839620.db2.gz	NFLQSSIXHZMOIV-HFEWCJDKSA-N	0	3	499.564	2.809	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@H](c3ccccn3)C2C1=O	ZINC000221535432	569883624	/nfs/dbraw/zinc/88/36/24/569883624.db2.gz	LEXVLUIKHGUXOM-ZIFCJYIRSA-N	0	3	499.504	2.713	50	30		JFEAHN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN(C)C)c1OC	ZINC000102508094	130162630	/nfs/dbraw/zinc/16/26/30/130162630.db2.gz	AFPKBMRDGYCEBS-OBVHCKHUSA-N	0	3	478.549	2.952	50	30		JFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102513270	130166610	/nfs/dbraw/zinc/16/66/10/130166610.db2.gz	WWYNWRHRMOLKEO-JBCNATCCSA-N	0	3	451.479	2.657	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102521394	130173931	/nfs/dbraw/zinc/17/39/31/130173931.db2.gz	HLRPYPDUDDLGMZ-ASBZNUFUSA-N	0	3	484.509	2.700	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102532519	130186351	/nfs/dbraw/zinc/18/63/51/130186351.db2.gz	KYWNVPCLANSZDX-MOBKVPTQSA-N	0	3	452.507	2.840	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1	ZINC000102538590	130193677	/nfs/dbraw/zinc/19/36/77/130193677.db2.gz	QNROZQWKVWBMPE-QOJBNDRUSA-N	0	3	454.527	2.577	50	30		JFEAHN
O=C(c1cccs1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1[N+](=O)[O-]	ZINC000102860028	130330620	/nfs/dbraw/zinc/33/06/20/130330620.db2.gz	GGDQLAKRLJCMQP-WOOAAIBNSA-N	0	3	457.508	2.800	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000102876806	130349409	/nfs/dbraw/zinc/34/94/09/130349409.db2.gz	ZAKPTFAAIZAVSN-OBVHCKHUSA-N	0	3	469.538	2.800	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000102896438	130378828	/nfs/dbraw/zinc/37/88/28/130378828.db2.gz	RWYZCLZZTCFHLS-MOBKVPTQSA-N	0	3	452.507	2.927	50	30		JFEAHN
C=CCn1c2ccccc2n(CC(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)c(=O)c1=O	ZINC000033268743	519264767	/nfs/dbraw/zinc/26/47/67/519264767.db2.gz	QAYKLSPJPKIYEV-UHFFFAOYSA-N	0	3	460.578	2.686	50	30		JFEAHN
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC3)CC1	ZINC000011880424	520947809	/nfs/dbraw/zinc/94/78/09/520947809.db2.gz	KWLXUBXHBJIKOO-QHCPKHFHSA-N	0	3	467.610	2.712	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c1C	ZINC000004039239	521361069	/nfs/dbraw/zinc/36/10/69/521361069.db2.gz	UEOCAYKAVXNGBB-FQEVSTJZSA-N	0	3	454.527	2.733	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009349789	522164683	/nfs/dbraw/zinc/16/46/83/522164683.db2.gz	JIBHJOMOJZPCPA-IVZQSRNASA-N	0	3	464.518	2.937	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008837424	524021109	/nfs/dbraw/zinc/02/11/09/524021109.db2.gz	GEFXQMVDRXDQJW-HXUWFJFHSA-N	0	3	484.509	2.856	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009008566	524021226	/nfs/dbraw/zinc/02/12/26/524021226.db2.gz	WIPYLHDPVPAQDQ-HXUWFJFHSA-N	0	3	484.509	2.856	50	30		JFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000012759046	524171331	/nfs/dbraw/zinc/17/13/31/524171331.db2.gz	XNHVWCQEUBHTRR-QFIPXVFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@@]23c2ccccc2N(C)C3=O)cc1F	ZINC000024192885	526020795	/nfs/dbraw/zinc/02/07/95/526020795.db2.gz	PBLNAHDFUJBWRY-VWLOTQADSA-N	0	3	451.498	2.795	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccc1F	ZINC000102748846	535832570	/nfs/dbraw/zinc/83/25/70/535832570.db2.gz	GVVWXOCFEJTVHC-NHFXJNLRSA-N	0	3	453.470	2.644	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008837423	554738328	/nfs/dbraw/zinc/73/83/28/554738328.db2.gz	GEFXQMVDRXDQJW-FQEVSTJZSA-N	0	3	484.509	2.856	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000013721789	555597503	/nfs/dbraw/zinc/59/75/03/555597503.db2.gz	KIBMCTBXBOWASS-NRFANRHFSA-N	0	3	456.543	2.584	50	30		JFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013727788	555601526	/nfs/dbraw/zinc/60/15/26/555601526.db2.gz	CPOAYTIXCVUITB-OAQYLSRUSA-N	0	3	454.527	2.641	50	30		JFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013727785	555601641	/nfs/dbraw/zinc/60/16/41/555601641.db2.gz	CPOAYTIXCVUITB-NRFANRHFSA-N	0	3	454.527	2.641	50	30		JFEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020219521	555714803	/nfs/dbraw/zinc/71/48/03/555714803.db2.gz	KRUOMURMDFXXER-QFIPXVFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
CC[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCc2ccccc2C1	ZINC000029911045	556360420	/nfs/dbraw/zinc/36/04/20/556360420.db2.gz	KGVJXZISAWJFKT-XMMPIXPASA-N	0	3	480.634	2.912	50	30		JFEAHN
C=CCN(CC=C)C[C@@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1	ZINC000008686725	562952998	/nfs/dbraw/zinc/95/29/98/562952998.db2.gz	IYBKQDVMFOSCSE-LJQANCHMSA-N	0	3	461.540	2.834	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102860592	569824833	/nfs/dbraw/zinc/82/48/33/569824833.db2.gz	ZLKQTTMEYPEILV-PGVNHDJNSA-N	0	3	497.548	2.578	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)c1C	ZINC000102929043	569827591	/nfs/dbraw/zinc/82/75/91/569827591.db2.gz	UCYTZBNBFYSEER-ASBZNUFUSA-N	0	3	457.502	2.931	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102932498	569828777	/nfs/dbraw/zinc/82/87/77/569828777.db2.gz	WWYSYSWFTOIJNM-QOJBNDRUSA-N	0	3	457.502	2.931	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000103596099	569836508	/nfs/dbraw/zinc/83/65/08/569836508.db2.gz	ZAXYJMUGFDYMOA-OBVHCKHUSA-N	0	3	469.538	2.800	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c1C	ZINC000102488765	130142613	/nfs/dbraw/zinc/14/26/13/130142613.db2.gz	ZAOULCNWPJILSJ-ASBZNUFUSA-N	0	3	454.527	2.577	50	30		JFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102502302	130156203	/nfs/dbraw/zinc/15/62/03/130156203.db2.gz	UWVGNFYCDIEPQY-ASBZNUFUSA-N	0	3	463.494	2.843	50	30		JFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102502310	130156403	/nfs/dbraw/zinc/15/64/03/130156403.db2.gz	UWVGNFYCDIEPQY-QOJBNDRUSA-N	0	3	463.494	2.843	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102505802	130160061	/nfs/dbraw/zinc/16/00/61/130160061.db2.gz	JGOLXXNHDBVHEL-ASBZNUFUSA-N	0	3	484.509	2.700	50	30		JFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102522918	130175229	/nfs/dbraw/zinc/17/52/29/130175229.db2.gz	BAXHHMSTJYIGPG-ZHHPLPSFSA-N	0	3	482.533	2.848	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)c1C	ZINC000102543535	130199860	/nfs/dbraw/zinc/19/98/60/130199860.db2.gz	DIHWUFHWFQKZKZ-QOJBNDRUSA-N	0	3	457.502	2.931	50	30		JFEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@]23c2ccccc2N(C)C3=O)cc1	ZINC000102552994	130204607	/nfs/dbraw/zinc/20/46/07/130204607.db2.gz	YFCMRWWXVDSNMH-FSLHIAPTSA-N	0	3	477.561	2.979	50	30		JFEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102576580	130215482	/nfs/dbraw/zinc/21/54/82/130215482.db2.gz	XUFQRJXAHGUNKV-HOGKFDNTSA-N	0	3	452.507	2.840	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102714248	130260351	/nfs/dbraw/zinc/26/03/51/130260351.db2.gz	KTBQDHACYUVVFP-MOBKVPTQSA-N	0	3	480.517	2.618	50	30		JFEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102864281	130335888	/nfs/dbraw/zinc/33/58/88/130335888.db2.gz	UIHDCDHSZNDZJT-OBVHCKHUSA-N	0	3	463.494	2.924	50	30		JFEAHN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036309089	518308055	/nfs/dbraw/zinc/30/80/55/518308055.db2.gz	GECHBLIUADRXSI-QPPBQGQZSA-N	0	3	468.619	2.976	50	30		JFEAHN
CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC3)CC1	ZINC000011880425	520946877	/nfs/dbraw/zinc/94/68/77/520946877.db2.gz	KWLXUBXHBJIKOO-HSZRJFAPSA-N	0	3	467.610	2.712	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000009270993	521360210	/nfs/dbraw/zinc/36/02/10/521360210.db2.gz	AMVFWWPJKKJWGJ-NRFANRHFSA-N	0	3	469.538	2.957	50	30		JFEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000015953344	521731233	/nfs/dbraw/zinc/73/12/33/521731233.db2.gz	NNPJEQRLIJYZJH-AREMUKBSSA-N	0	3	463.534	2.746	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009275302	523370302	/nfs/dbraw/zinc/37/03/02/523370302.db2.gz	PQKMEKDVCMUOKG-MRJHHRETSA-N	0	3	469.494	2.985	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000009177600	524021329	/nfs/dbraw/zinc/02/13/29/524021329.db2.gz	LLWAGVNWCBPDGA-NRFANRHFSA-N	0	3	497.548	2.735	50	30		JFEAHN
Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(C#CC(C)(C)O)cc4)CC3)O2)n(C)n1	ZINC000011787687	524088558	/nfs/dbraw/zinc/08/85/58/524088558.db2.gz	IPYGKWFPXLCAHG-QHCPKHFHSA-N	0	3	464.610	2.795	50	30		JFEAHN
Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(C#CC(C)(C)O)cc4)CC3)O2)n(C)n1	ZINC000011787688	524096789	/nfs/dbraw/zinc/09/67/89/524096789.db2.gz	IPYGKWFPXLCAHG-HSZRJFAPSA-N	0	3	464.610	2.795	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccc(F)cc1	ZINC000102746763	535833544	/nfs/dbraw/zinc/83/35/44/535833544.db2.gz	YIDMGHBQMPANFE-NHFXJNLRSA-N	0	3	453.470	2.644	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccc(F)cc1	ZINC000102746767	535833821	/nfs/dbraw/zinc/83/38/21/535833821.db2.gz	YIDMGHBQMPANFE-YDJIHCHBSA-N	0	3	453.470	2.644	50	30		JFEAHN
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000102700326	536884914	/nfs/dbraw/zinc/88/49/14/536884914.db2.gz	OVFBBZKQTCQSDH-NHFXJNLRSA-N	0	3	458.511	2.987	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000008837080	554737627	/nfs/dbraw/zinc/73/76/27/554737627.db2.gz	HSQKAURRTADZFQ-OAQYLSRUSA-N	0	3	469.538	2.957	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000008837982	554739327	/nfs/dbraw/zinc/73/93/27/554739327.db2.gz	FOHRWMABDPFMRN-FQEVSTJZSA-N	0	3	455.511	2.567	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008987958	554850431	/nfs/dbraw/zinc/85/04/31/554850431.db2.gz	APEMUQOQONXZRT-FQEVSTJZSA-N	0	3	484.509	2.856	50	30		JFEAHN
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)N2CCCC2)cc1	ZINC000009494811	555279059	/nfs/dbraw/zinc/27/90/59/555279059.db2.gz	SOXNRTXAFXXNTL-RUZDIDTESA-N	0	3	496.633	2.921	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1F	ZINC000019883248	555527764	/nfs/dbraw/zinc/52/77/64/555527764.db2.gz	WWPNMJNLKYLLIT-NRFANRHFSA-N	0	3	489.569	2.606	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccc(F)cc1	ZINC000013685508	555578906	/nfs/dbraw/zinc/57/89/06/555578906.db2.gz	MDUXRWQNOFAZNQ-HXUWFJFHSA-N	0	3	453.470	2.801	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccc1F	ZINC000013733163	555604873	/nfs/dbraw/zinc/60/48/73/555604873.db2.gz	GRZUBAYSLKUXCX-HXUWFJFHSA-N	0	3	453.470	2.801	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020057684	555620639	/nfs/dbraw/zinc/62/06/39/555620639.db2.gz	DBBYEZDBQVNJPP-NRFANRHFSA-N	0	3	470.522	2.861	50	30		JFEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147861	556124122	/nfs/dbraw/zinc/12/41/22/556124122.db2.gz	PMMMNBKBSALCAN-HHHXNRCGSA-N	0	3	475.545	2.912	50	30		JFEAHN
N#Cc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1	ZINC000057270702	569595331	/nfs/dbraw/zinc/59/53/31/569595331.db2.gz	MVJYYNUXALRGDD-UHFFFAOYSA-N	0	3	489.601	2.797	50	30		JFEAHN
NC(=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(CN2CCCCC2)c1	ZINC000062587397	569612007	/nfs/dbraw/zinc/61/20/07/569612007.db2.gz	UJMSXYIUSGWEMY-UHFFFAOYSA-N	0	3	499.637	2.733	50	30		JFEAHN
Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1	ZINC000067342051	569688433	/nfs/dbraw/zinc/68/84/33/569688433.db2.gz	SFCWJLRLGQCKAM-VXKWHMMOSA-N	0	3	486.663	2.736	50	30		JFEAHN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCCC2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000096335853	569740322	/nfs/dbraw/zinc/74/03/22/569740322.db2.gz	YYOSZJYQYHKGEW-HSZRJFAPSA-N	0	3	478.501	2.861	50	30		JFEAHN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCCC2)[C@H]1c1ccc2c(c1)OCO2	ZINC000096335854	569740339	/nfs/dbraw/zinc/74/03/39/569740339.db2.gz	YYOSZJYQYHKGEW-QHCPKHFHSA-N	0	3	478.501	2.861	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)cc1	ZINC000102874764	569826354	/nfs/dbraw/zinc/82/63/54/569826354.db2.gz	DNGDUBDUKYGGQC-IAMBOQNYSA-N	0	3	476.533	2.803	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102874764	569826356	/nfs/dbraw/zinc/82/63/56/569826356.db2.gz	DNGDUBDUKYGGQC-IAMBOQNYSA-N	0	3	476.533	2.803	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c(OC)c1	ZINC000102530477	130184139	/nfs/dbraw/zinc/18/41/39/130184139.db2.gz	HLJPAGOWTOTPRA-ZHHPLPSFSA-N	0	3	482.533	2.848	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102553945	130204671	/nfs/dbraw/zinc/20/46/71/130204671.db2.gz	QCDIWFKITDXXJT-NYSCORLISA-N	0	3	464.518	2.780	50	30		JFEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102576587	130215530	/nfs/dbraw/zinc/21/55/30/130215530.db2.gz	XUFQRJXAHGUNKV-MOBKVPTQSA-N	0	3	452.507	2.840	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009235167	521360124	/nfs/dbraw/zinc/36/01/24/521360124.db2.gz	RFKKYFDYZBTEKG-QFIPXVFZSA-N	0	3	499.564	2.965	50	30		JFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000020547315	521754808	/nfs/dbraw/zinc/75/48/08/521754808.db2.gz	RVPPQVXFCBSTSL-JOCHJYFZSA-N	0	3	451.523	2.664	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000004039871	524021593	/nfs/dbraw/zinc/02/15/93/524021593.db2.gz	UBUINVOZDRIFFQ-FQEVSTJZSA-N	0	3	455.511	2.567	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000009373713	525212645	/nfs/dbraw/zinc/21/26/45/525212645.db2.gz	JGGDEBLOWSSJBJ-ZHHPLPSFSA-N	0	3	482.533	2.848	50	30		JFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000008982449	554847296	/nfs/dbraw/zinc/84/72/96/554847296.db2.gz	UZYNUDIFANNQAX-NRFANRHFSA-N	0	3	451.479	2.814	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccs1	ZINC000020024594	555602591	/nfs/dbraw/zinc/60/25/91/555602591.db2.gz	JRIWBNVLGHYEDT-IBGZPJMESA-N	0	3	477.608	2.528	50	30		JFEAHN
CCN1CCN(CCCNC(=O)c2ccc3nc(CC(=O)c4cccc(OC)c4)c(=O)[nH]c3c2)CC1	ZINC000020156556	555676202	/nfs/dbraw/zinc/67/62/02/555676202.db2.gz	GTHCSWVPGSRFQW-MOHJPFBDSA-N	0	3	491.592	2.583	50	30		JFEAHN
CCN1CCN(CCCNC(=O)c2ccc3nc(CC(=O)c4ccc(OC)cc4)c(=O)[nH]c3c2)CC1	ZINC000020156550	555676302	/nfs/dbraw/zinc/67/63/02/555676302.db2.gz	IPHOCNIZZVFBNF-MOHJPFBDSA-N	0	3	491.592	2.583	50	30		JFEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCN(C)C	ZINC000020219334	555713666	/nfs/dbraw/zinc/71/36/66/555713666.db2.gz	ZVDRATKXERBKKE-QFIPXVFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219331	555713712	/nfs/dbraw/zinc/71/37/12/555713712.db2.gz	WWKOLJKWMOYKGY-JOCHJYFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
COc1cc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000020219575	555715266	/nfs/dbraw/zinc/71/52/66/555715266.db2.gz	URBQFHVHPVYTQJ-HXUWFJFHSA-N	0	3	455.511	2.637	50	30		JFEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN(C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000024147430	556123653	/nfs/dbraw/zinc/12/36/53/556123653.db2.gz	RRKXRJMSJWDKKT-AREMUKBSSA-N	0	3	463.534	2.746	50	30		JFEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000024147710	556124046	/nfs/dbraw/zinc/12/40/46/556124046.db2.gz	OSOXCMFJXLWVJX-MHZLTWQESA-N	0	3	475.545	2.912	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1	ZINC000013127576	556343828	/nfs/dbraw/zinc/34/38/28/556343828.db2.gz	ADEZUDIQZPKPMG-HXUWFJFHSA-N	0	3	454.527	2.733	50	30		JFEAHN
C=CCN(CC=C)C[C@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1	ZINC000008686726	562952948	/nfs/dbraw/zinc/95/29/48/562952948.db2.gz	IYBKQDVMFOSCSE-IBGZPJMESA-N	0	3	461.540	2.834	50	30		JFEAHN
Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1	ZINC000067342046	569688454	/nfs/dbraw/zinc/68/84/54/569688454.db2.gz	SFCWJLRLGQCKAM-YADHBBJMSA-N	0	3	486.663	2.736	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)c1C	ZINC000103596092	569836553	/nfs/dbraw/zinc/83/65/53/569836553.db2.gz	ZAXYJMUGFDYMOA-PGVNHDJNSA-N	0	3	469.538	2.800	50	30		JFEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@]23c2ccccc2N(C)C3=O)cc1	ZINC000102552999	130204663	/nfs/dbraw/zinc/20/46/63/130204663.db2.gz	YFCMRWWXVDSNMH-OAWJJLAXSA-N	0	3	477.561	2.979	50	30		JFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102714245	130260223	/nfs/dbraw/zinc/26/02/23/130260223.db2.gz	KTBQDHACYUVVFP-HOGKFDNTSA-N	0	3	480.517	2.618	50	30		JFEAHN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1	ZINC000036309090	518298417	/nfs/dbraw/zinc/29/84/17/518298417.db2.gz	GECHBLIUADRXSI-URXFXBBRSA-N	0	3	468.619	2.976	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccncc1	ZINC000009123740	520649042	/nfs/dbraw/zinc/64/90/42/520649042.db2.gz	ZYIXAQDJTCIYDT-ASBZNUFUSA-N	0	3	454.527	2.577	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)cc1	ZINC000009041280	522171409	/nfs/dbraw/zinc/17/14/09/522171409.db2.gz	QILCVWBSVWLCDM-QFIPXVFZSA-N	0	3	476.533	2.959	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000009041280	522171418	/nfs/dbraw/zinc/17/14/18/522171418.db2.gz	QILCVWBSVWLCDM-QFIPXVFZSA-N	0	3	476.533	2.959	50	30		JFEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000006134567	527116826	/nfs/dbraw/zinc/11/68/26/527116826.db2.gz	MDTKQJHETJHBLN-MRXNPFEDSA-N	0	3	458.927	2.738	50	30		JFEAHN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccccc2)cc1	ZINC000102436487	536103669	/nfs/dbraw/zinc/10/36/69/536103669.db2.gz	KRJFEQANKSQSTH-AYWGPLOBSA-N	0	3	497.617	2.845	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102517443	536565446	/nfs/dbraw/zinc/56/54/46/536565446.db2.gz	VSTHEAFOMFRFFX-MOBKVPTQSA-N	0	3	481.505	2.747	50	30		JFEAHN
COc1ccccc1NC(=O)CSc1nc(N2CCNCC2)c2c(c1C#N)CC(C)(C)OC2	ZINC000009476704	555257631	/nfs/dbraw/zinc/25/76/31/555257631.db2.gz	TUJRIBRVSBQKLH-UHFFFAOYSA-N	0	3	467.595	2.954	50	30		JFEAHN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN(C)C)[C@]34c3ccccc3N(C)C4=O)ccc2O1	ZINC000019861530	555520147	/nfs/dbraw/zinc/52/01/47/555520147.db2.gz	DDWDKADYHIYZIP-RKOGDMNLSA-N	0	3	475.545	2.671	50	30		JFEAHN
CC1(C)Cc2c(C#N)c(SCC(=O)NCc3ccccc3)nc(N3CCNCC3)c2CO1	ZINC000013681952	555575346	/nfs/dbraw/zinc/57/53/46/555575346.db2.gz	XGBNQCNCSQCWGQ-UHFFFAOYSA-N	0	3	451.596	2.623	50	30		JFEAHN
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000013721792	555597578	/nfs/dbraw/zinc/59/75/78/555597578.db2.gz	KIBMCTBXBOWASS-OAQYLSRUSA-N	0	3	456.543	2.584	50	30		JFEAHN
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000013722013	555597868	/nfs/dbraw/zinc/59/78/68/555597868.db2.gz	ZRQQRDKGUPCWFS-FQEVSTJZSA-N	0	3	456.543	2.584	50	30		JFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020193145	555694297	/nfs/dbraw/zinc/69/42/97/555694297.db2.gz	GNUDKHDVSPYYSX-QFIPXVFZSA-N	0	3	468.506	2.963	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020264831	555747366	/nfs/dbraw/zinc/74/73/66/555747366.db2.gz	XZTOMPGXTZHJIH-JOCHJYFZSA-N	0	3	470.522	2.861	50	30		JFEAHN
C=CCN(CC=C)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C	ZINC000012527144	555995622	/nfs/dbraw/zinc/99/56/22/555995622.db2.gz	MJTIOCZRJXAXAD-OAQYLSRUSA-N	0	3	452.577	2.726	50	30		JFEAHN
CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCc2ccccc2C1	ZINC000029911041	556360351	/nfs/dbraw/zinc/36/03/51/556360351.db2.gz	KGVJXZISAWJFKT-DEOSSOPVSA-N	0	3	480.634	2.912	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102929045	569827704	/nfs/dbraw/zinc/82/77/04/569827704.db2.gz	UCYTZBNBFYSEER-QOJBNDRUSA-N	0	3	457.502	2.931	50	30		JFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102538390	130193118	/nfs/dbraw/zinc/19/31/18/130193118.db2.gz	XWPITKAJEKJQOI-PGVNHDJNSA-N	0	3	497.548	2.578	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102880865	130357427	/nfs/dbraw/zinc/35/74/27/130357427.db2.gz	LBXPEMMAPGZIPN-ASBZNUFUSA-N	0	3	484.509	2.700	50	30		JFEAHN
C#CCOC[C@@H](O)CN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155314	518299329	/nfs/dbraw/zinc/29/93/29/518299329.db2.gz	GXRDRCQCFVWSIK-NRFANRHFSA-N	0	3	481.549	2.818	50	30		JFEAHN
C#CCOC[C@H](O)CN(CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1	ZINC000036155317	518309930	/nfs/dbraw/zinc/30/99/30/518309930.db2.gz	GXRDRCQCFVWSIK-OAQYLSRUSA-N	0	3	481.549	2.818	50	30		JFEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020546561	521424796	/nfs/dbraw/zinc/42/47/96/521424796.db2.gz	DIFYXSXLUXEWAH-QFIPXVFZSA-N	0	3	452.507	2.996	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009072749	524021246	/nfs/dbraw/zinc/02/12/46/524021246.db2.gz	WIPYLHDPVPAQDQ-FQEVSTJZSA-N	0	3	484.509	2.856	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009301900	524021447	/nfs/dbraw/zinc/02/14/47/524021447.db2.gz	GLALVWCPLSZQOS-JOCHJYFZSA-N	0	3	499.564	2.965	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102894241	535832832	/nfs/dbraw/zinc/83/28/32/535832832.db2.gz	BAQQYSCXIVPTNJ-AYWGPLOBSA-N	0	3	465.550	2.897	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000013551848	555492246	/nfs/dbraw/zinc/49/22/46/555492246.db2.gz	DBBYEZDBQVNJPP-OAQYLSRUSA-N	0	3	470.522	2.861	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013552197	555492518	/nfs/dbraw/zinc/49/25/18/555492518.db2.gz	SKJSCNIWESQMTR-NRFANRHFSA-N	0	3	467.478	2.896	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1cccc(F)c1	ZINC000013682942	555576489	/nfs/dbraw/zinc/57/64/89/555576489.db2.gz	LBOSKJFELWQDRL-HXUWFJFHSA-N	0	3	453.470	2.801	50	30		JFEAHN
COc1cccc(NC(=O)CSc2nc(N3CCNCC3)c3c(c2C#N)CC(C)(C)OC3)c1	ZINC000013684704	555578558	/nfs/dbraw/zinc/57/85/58/555578558.db2.gz	HRMAOZZKMCFVQX-UHFFFAOYSA-N	0	3	467.595	2.954	50	30		JFEAHN
COc1cccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000013688475	555581609	/nfs/dbraw/zinc/58/16/09/555581609.db2.gz	LKIPUAWKDNRRFT-FQEVSTJZSA-N	0	3	454.527	2.641	50	30		JFEAHN
COc1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000013722408	555597761	/nfs/dbraw/zinc/59/77/61/555597761.db2.gz	PHINJTFRYPMKRX-NRFANRHFSA-N	0	3	454.527	2.641	50	30		JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020264828	555747316	/nfs/dbraw/zinc/74/73/16/555747316.db2.gz	XZTOMPGXTZHJIH-QFIPXVFZSA-N	0	3	470.522	2.861	50	30		JFEAHN
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCCN3CCN(C)CC3)cc12	ZINC000022932049	555984950	/nfs/dbraw/zinc/98/49/50/555984950.db2.gz	AXFZHCWYAXFSPB-UHFFFAOYSA-N	0	3	455.676	2.630	50	30		JFEAHN
CN(C)CCNc1oc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1C#N	ZINC000015838497	556021991	/nfs/dbraw/zinc/02/19/91/556021991.db2.gz	VSUSQDGKGDLWBA-UHFFFAOYSA-N	0	3	451.552	2.934	50	30		JFEAHN
C=CCN(CC=C)[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C	ZINC000032810027	556500073	/nfs/dbraw/zinc/50/00/73/556500073.db2.gz	WDSNIRDWJDBVJA-QFIPXVFZSA-N	0	3	475.659	2.571	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)cc1	ZINC000102874760	569826096	/nfs/dbraw/zinc/82/60/96/569826096.db2.gz	DNGDUBDUKYGGQC-HFEWCJDKSA-N	0	3	476.533	2.803	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102874760	569826098	/nfs/dbraw/zinc/82/60/98/569826098.db2.gz	DNGDUBDUKYGGQC-HFEWCJDKSA-N	0	3	476.533	2.803	50	30		JFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102933240	569829038	/nfs/dbraw/zinc/82/90/38/569829038.db2.gz	ZBSQKVQJHVZHKM-HFEWCJDKSA-N	0	3	478.549	2.952	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)C2C1=O	ZINC000103047842	569832242	/nfs/dbraw/zinc/83/22/42/569832242.db2.gz	LEXVLUIKHGUXOM-LNLFQRSKSA-N	0	3	499.504	2.713	50	30		JFEAHN
COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)cc1	ZINC000009950761	195033558	/nfs/dbraw/zinc/03/35/58/195033558.db2.gz	FYUPNXDMUKMXKU-XMMPIXPASA-N	0	3	496.633	2.921	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102498044	130152157	/nfs/dbraw/zinc/15/21/57/130152157.db2.gz	JICCUHHCWUPRJQ-MRJHHRETSA-N	0	3	452.507	2.855	50	30		JFEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102531155	130184475	/nfs/dbraw/zinc/18/44/75/130184475.db2.gz	CEIOSESUMYVOJI-GHNGSUTGSA-N	0	3	457.552	2.920	50	30		JFEAHN
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000102570392	130213547	/nfs/dbraw/zinc/21/35/47/130213547.db2.gz	SISMFQXCMIMVKI-JBCNATCCSA-N	0	3	469.469	2.878	50	30		JFEAHN
O=C(c1cccs1)C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1[N+](=O)[O-]	ZINC000102860024	130330390	/nfs/dbraw/zinc/33/03/90/130330390.db2.gz	GGDQLAKRLJCMQP-LFVOPCPISA-N	0	3	457.508	2.800	50	30		JFEAHN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009243158	519011739	/nfs/dbraw/zinc/01/17/39/519011739.db2.gz	MLNBCGJCLBYMRD-HOGKFDNTSA-N	0	3	452.507	2.949	50	30		JFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009275300	523369214	/nfs/dbraw/zinc/36/92/14/523369214.db2.gz	PQKMEKDVCMUOKG-JBCNATCCSA-N	0	3	469.494	2.985	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)ccc2OC)c1C	ZINC000009275628	524021631	/nfs/dbraw/zinc/02/16/31/524021631.db2.gz	WWRADKIBTLWNIY-JOCHJYFZSA-N	0	3	499.564	2.965	50	30	biogenic	JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000009177606	524021650	/nfs/dbraw/zinc/02/16/50/524021650.db2.gz	LLWAGVNWCBPDGA-OAQYLSRUSA-N	0	3	497.548	2.735	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)c1C	ZINC000009177355	524021686	/nfs/dbraw/zinc/02/16/86/524021686.db2.gz	VZBYROZUDKATKY-NRFANRHFSA-N	0	3	469.538	2.957	50	30	biogenic	JFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008987574	554850148	/nfs/dbraw/zinc/85/01/48/554850148.db2.gz	ZTYCJMGHETUPEQ-HOGKFDNTSA-N	0	3	470.522	2.704	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013552200	555492534	/nfs/dbraw/zinc/49/25/34/555492534.db2.gz	SKJSCNIWESQMTR-OAQYLSRUSA-N	0	3	467.478	2.896	50	30		JFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccc(F)cc1	ZINC000013685504	555578872	/nfs/dbraw/zinc/57/88/72/555578872.db2.gz	MDUXRWQNOFAZNQ-FQEVSTJZSA-N	0	3	453.470	2.801	50	30		JFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccncc1	ZINC000020219713	555715476	/nfs/dbraw/zinc/71/54/76/555715476.db2.gz	WMFNMVCALMXFCR-FQEVSTJZSA-N	0	3	454.527	2.733	50	30		JFEAHN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000024147706	556124163	/nfs/dbraw/zinc/12/41/63/556124163.db2.gz	OSOXCMFJXLWVJX-HHHXNRCGSA-N	0	3	475.545	2.912	50	30		JFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102932494	569828786	/nfs/dbraw/zinc/82/87/86/569828786.db2.gz	WWYSYSWFTOIJNM-ASBZNUFUSA-N	0	3	457.502	2.931	50	30		JFEAHN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102934706	569829243	/nfs/dbraw/zinc/82/92/43/569829243.db2.gz	GPPQKFPVAGYOAJ-OBVHCKHUSA-N	0	3	463.494	2.924	50	30		JFEAHN
COC(=O)c1sccc1N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)C2C1=O	ZINC000103047839	569832161	/nfs/dbraw/zinc/83/21/61/569832161.db2.gz	LEXVLUIKHGUXOM-AOIWGVFYSA-N	0	3	499.504	2.713	50	30		JFEAHN