smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@@H](C)c3nnc4ccccn43)C2=O)cc1	ZINC000218146143	568475815	/nfs/dbraw/zinc/47/58/15/568475815.db2.gz	RMOCCXKVKGJKBE-BBRMVZONSA-N	0	0	422.445	1.426	50	70		HDIARN
COc1cc(N2C[C@@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC	ZINC000218201897	568476306	/nfs/dbraw/zinc/47/63/06/568476306.db2.gz	WEADIGDTLMCEJD-DOTOQJQBSA-N	0	0	414.458	1.915	50	70		HDIARN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(S(C)(=O)=O)CC2)n1	ZINC000218212065	568476480	/nfs/dbraw/zinc/47/64/80/568476480.db2.gz	AMGVVQFKQUQHKJ-GOSISDBHSA-N	0	0	417.535	1.220	50	70		HDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217606247	568897858	/nfs/dbraw/zinc/89/78/58/568897858.db2.gz	FZAYBNVCBWTPQM-JEBQAFNWSA-N	0	0	400.479	1.544	50	70	biogenic	HDIARN
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)[nH]n1	ZINC000217734105	568908774	/nfs/dbraw/zinc/90/87/74/568908774.db2.gz	CHFULILCCOBUKN-GJZGRUSLSA-N	0	0	406.442	1.861	50	70		HDIARN
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)[nH]n1	ZINC000217734029	568908838	/nfs/dbraw/zinc/90/88/38/568908838.db2.gz	CHFULILCCOBUKN-GASCZTMLSA-N	0	0	406.442	1.861	50	70		HDIARN
COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217781721	568911600	/nfs/dbraw/zinc/91/16/00/568911600.db2.gz	FTSFEGYKDQAQRV-KRWDZBQOSA-N	0	0	403.431	1.881	50	70	biogenic	HDIARN
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1	ZINC000217831498	568914686	/nfs/dbraw/zinc/91/46/86/568914686.db2.gz	GPGOVGFUKLIRAV-HNNXBMFYSA-N	0	0	406.508	1.718	50	70		HDIARN
Cn1nc(CN(Cc2ccco2)C(=O)N2CCN(S(C)(=O)=O)C2=O)c2c1CCC2	ZINC000217906375	568919128	/nfs/dbraw/zinc/91/91/28/568919128.db2.gz	LCTADMIBTIRNHV-UHFFFAOYSA-N	0	0	421.479	1.321	50	70		HDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCc2ccccn2)cc1	ZINC000218140453	568475804	/nfs/dbraw/zinc/47/58/04/568475804.db2.gz	FDRPUPOHWSQXDM-KRWDZBQOSA-N	0	0	424.457	1.790	50	70		HDIARN
COc1ccc2nc(N3CCOCC3)c([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)cc2c1	ZINC000218313118	568478228	/nfs/dbraw/zinc/47/82/28/568478228.db2.gz	IIBANUFSQHBPQT-HNNXBMFYSA-N	0	0	411.462	1.412	50	70		HDIARN
O=C(c1cn(C[C@@H](O)c2ccccc2F)nn1)N1CCN(C(=O)c2ccco2)CC1	ZINC000217473235	568883342	/nfs/dbraw/zinc/88/33/42/568883342.db2.gz	NDGIFFYEGDCDRV-QGZVFWFLSA-N	0	0	413.409	1.342	50	70		HDIARN
COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1	ZINC000217742373	568909363	/nfs/dbraw/zinc/90/93/63/568909363.db2.gz	QJQPAJHNIDNDDK-HOTGVXAUSA-N	0	0	419.459	1.189	50	70		HDIARN
O=S(=O)(c1cccc2ccccc21)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218682915	568913533	/nfs/dbraw/zinc/91/35/33/568913533.db2.gz	WGUYRKUXMSNDPF-UHFFFAOYSA-N	0	0	421.486	1.721	50	70		HDIARN
Cc1ncn(CC(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)c(=O)c1C	ZINC000217845534	568915906	/nfs/dbraw/zinc/91/59/06/568915906.db2.gz	HAKXCWHXQZKBRQ-HNNXBMFYSA-N	0	0	409.450	1.181	50	70		HDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1	ZINC000218041950	568924771	/nfs/dbraw/zinc/92/47/71/568924771.db2.gz	WHFFAVWPRCHMJC-LFRPXUGBSA-N	0	0	401.463	1.664	50	70	biogenic	HDIARN
COc1cc(N2C[C@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC	ZINC000218201825	568476284	/nfs/dbraw/zinc/47/62/84/568476284.db2.gz	WEADIGDTLMCEJD-NVXWUHKLSA-N	0	0	414.458	1.915	50	70		HDIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1nnc2ccccc2c1=O	ZINC000218397327	568479693	/nfs/dbraw/zinc/47/96/93/568479693.db2.gz	HCJQNYYQNSYWGM-AWEZNQCLSA-N	0	0	406.446	1.665	50	70		HDIARN
COc1cc2nc(C)n(CC(=O)NCCn3cnc4ccccc43)c(=O)c2cc1OC	ZINC000218403140	568479930	/nfs/dbraw/zinc/47/99/30/568479930.db2.gz	HIAGQVGGDWOJPO-UHFFFAOYSA-N	0	0	421.457	1.888	50	70		HDIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cc2ccc(OC)cc2[nH]c1=O	ZINC000217631622	568899888	/nfs/dbraw/zinc/89/98/88/568899888.db2.gz	KMCLBRSSIZIFKW-GFCCVEGCSA-N	0	0	410.382	1.843	50	70	biogenic	HDIARN
CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217686529	568905786	/nfs/dbraw/zinc/90/57/86/568905786.db2.gz	FKVCFYQWTGZITK-ZWKOTPCHSA-N	0	0	400.479	1.544	50	70	biogenic	HDIARN
COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O	ZINC000218201287	568476233	/nfs/dbraw/zinc/47/62/33/568476233.db2.gz	IAEVGRQXHLPZPN-KRWDZBQOSA-N	0	0	405.426	1.762	50	70		HDIARN
COC(=O)[C@H](CCSC)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O	ZINC000218317063	568478326	/nfs/dbraw/zinc/47/83/26/568478326.db2.gz	LXLWYPNTANHUMR-HNNXBMFYSA-N	0	0	409.895	1.975	50	70		HDIARN
O=C(c1ccccc1Br)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218632682	568885748	/nfs/dbraw/zinc/88/57/48/568885748.db2.gz	QOBXMVREPATMTJ-UHFFFAOYSA-N	0	0	414.267	1.782	50	70		HDIARN
C[C@@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2s1	ZINC000217516217	568887747	/nfs/dbraw/zinc/88/77/47/568887747.db2.gz	FGXKRSXIKHMFDE-LJQANCHMSA-N	0	0	420.512	1.951	50	70		HDIARN
CN(CC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)S(C)(=O)=O	ZINC000217799924	568912804	/nfs/dbraw/zinc/91/28/04/568912804.db2.gz	WADYQHBWCBFYEY-ZDUSSCGKSA-N	0	0	410.471	1.548	50	70		HDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1	ZINC000217836637	568915444	/nfs/dbraw/zinc/91/54/44/568915444.db2.gz	MUHLDGNWBFFANR-IBGZPJMESA-N	0	0	411.458	1.960	50	70	biogenic	HDIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2cccnc2)no1	ZINC000218328011	568929287	/nfs/dbraw/zinc/92/92/87/568929287.db2.gz	CIQQLRZKZVHRDE-HNNXBMFYSA-N	0	0	406.402	1.279	50	70		HDIARN
COc1ccc(Cc2nc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)cc1	ZINC000217828246	568474085	/nfs/dbraw/zinc/47/40/85/568474085.db2.gz	YJRLWUVEIWRJTG-INIZCTEOSA-N	0	0	420.429	1.483	50	70	biogenic	HDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1nnc2ccccn21	ZINC000218272574	568477191	/nfs/dbraw/zinc/47/71/91/568477191.db2.gz	NXHDGWKUTVZXOT-AWEZNQCLSA-N	0	0	412.837	1.510	50	70		HDIARN
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	ZINC000217728319	568908465	/nfs/dbraw/zinc/90/84/65/568908465.db2.gz	GSFJPNUXINIIRX-RTBURBONSA-N	0	0	408.433	1.851	50	70		HDIARN
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217728240	568908515	/nfs/dbraw/zinc/90/85/15/568908515.db2.gz	GSFJPNUXINIIRX-OALUTQOASA-N	0	0	408.433	1.851	50	70		HDIARN
COc1ccc(N2C[C@H](C(=O)N3CCC(N4C(=O)CSC4=O)CC3)CC2=O)cc1	ZINC000217790777	568912048	/nfs/dbraw/zinc/91/20/48/568912048.db2.gz	RKGDQPDFGNVPMP-CYBMUJFWSA-N	0	0	417.487	1.735	50	70		HDIARN
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217903625	568919008	/nfs/dbraw/zinc/91/90/08/568919008.db2.gz	IENWNZWOMGXXOK-HNNXBMFYSA-N	0	0	419.430	1.587	50	70	biogenic	HDIARN
C[C@@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2o1	ZINC000218001179	568922427	/nfs/dbraw/zinc/92/24/27/568922427.db2.gz	WBDMKLLWOLQMOD-LJQANCHMSA-N	0	0	404.444	1.483	50	70		HDIARN
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218053231	568924975	/nfs/dbraw/zinc/92/49/75/568924975.db2.gz	RGNAMBMKNZIASR-NSHDSACASA-N	0	0	421.402	1.588	50	70	biogenic	HDIARN
COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218090083	568925269	/nfs/dbraw/zinc/92/52/69/568925269.db2.gz	IQIRVGWHKKOMQN-SECBINFHSA-N	0	0	409.778	1.944	50	70	biogenic	HDIARN
NC(=O)C[C@H](c1ccnc2ccccc21)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218095043	568925584	/nfs/dbraw/zinc/92/55/84/568925584.db2.gz	XHOXRWIMUITOOH-QGZVFWFLSA-N	0	0	409.442	1.733	50	70	biogenic	HDIARN
COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(O)cc3)C2)sc1C	ZINC000217764170	568473783	/nfs/dbraw/zinc/47/37/83/568473783.db2.gz	OJPKIMMXKFTSMT-ZDUSSCGKSA-N	0	0	403.460	1.973	50	70	biogenic	HDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000218127867	568475423	/nfs/dbraw/zinc/47/54/23/568475423.db2.gz	HXEAZAQQWITZGS-BFSLETRISA-N	0	0	422.485	1.948	50	70		HDIARN
COC(=O)CC1CCN(C(=O)Cn2ccc3c2cccc3NS(C)(=O)=O)CC1	ZINC000218409660	568480060	/nfs/dbraw/zinc/48/00/60/568480060.db2.gz	PEKQCOQFSDRWAF-UHFFFAOYSA-N	0	0	407.492	1.815	50	70		HDIARN
COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)cc1F	ZINC000217474601	568883387	/nfs/dbraw/zinc/88/33/87/568883387.db2.gz	MQIAKZUVMDXWIV-CYBMUJFWSA-N	0	0	413.409	1.123	50	70		HDIARN
CCOC(=O)N1CCC(NC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)CC1	ZINC000217475647	568883494	/nfs/dbraw/zinc/88/34/94/568883494.db2.gz	IOMDENUQNKTEEU-KRWDZBQOSA-N	0	0	405.430	1.502	50	70		HDIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cc2ccc(OC)cc2[nH]c1=O	ZINC000217631704	568899870	/nfs/dbraw/zinc/89/98/70/568899870.db2.gz	KMCLBRSSIZIFKW-LBPRGKRZSA-N	0	0	410.382	1.843	50	70	biogenic	HDIARN
COc1cc2c(cc1OC)CN(Cc1oc(CN3CCOCC3)cc(=O)c1O)CC2	ZINC000217810395	568913802	/nfs/dbraw/zinc/91/38/02/568913802.db2.gz	NUDHKLOHHYPWEY-UHFFFAOYSA-N	0	0	416.474	1.753	50	70	biogenic	HDIARN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217851860	568916468	/nfs/dbraw/zinc/91/64/68/568916468.db2.gz	REERHYLTDDGGHU-CYBMUJFWSA-N	0	0	404.452	1.775	50	70		HDIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cc(-c4ccco4)on3)CC2)cn1	ZINC000217965758	568921400	/nfs/dbraw/zinc/92/14/00/568921400.db2.gz	BVPGWOYLFBSCGY-UHFFFAOYSA-N	0	0	405.436	1.205	50	70		HDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OCc2cccnc2)c1	ZINC000218168630	568476008	/nfs/dbraw/zinc/47/60/08/568476008.db2.gz	DKCDKUQUXLBOAO-KRWDZBQOSA-N	0	0	424.457	1.790	50	70		HDIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(S(C)(=O)=O)CC2)n1	ZINC000218211981	568476478	/nfs/dbraw/zinc/47/64/78/568476478.db2.gz	AMGVVQFKQUQHKJ-SFHVURJKSA-N	0	0	417.535	1.220	50	70		HDIARN
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1	ZINC000218541927	568481457	/nfs/dbraw/zinc/48/14/57/568481457.db2.gz	AKYMQVHFLYXLGE-KRWDZBQOSA-N	0	0	401.463	1.341	50	70		HDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000217592721	568896372	/nfs/dbraw/zinc/89/63/72/568896372.db2.gz	PQARNEBKHVQVBW-VHDGCEQUSA-N	0	0	407.467	1.038	50	70	biogenic	HDIARN
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)n1	ZINC000217831586	568914788	/nfs/dbraw/zinc/91/47/88/568914788.db2.gz	GPGOVGFUKLIRAV-OAHLLOKOSA-N	0	0	406.508	1.718	50	70		HDIARN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217851922	568916519	/nfs/dbraw/zinc/91/65/19/568916519.db2.gz	REERHYLTDDGGHU-ZDUSSCGKSA-N	0	0	404.452	1.775	50	70		HDIARN
O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1	ZINC000217978545	568921837	/nfs/dbraw/zinc/92/18/37/568921837.db2.gz	MKCFSPZDMVVPAI-UHFFFAOYSA-N	0	0	416.503	1.301	50	70		HDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1	ZINC000218041872	568924777	/nfs/dbraw/zinc/92/47/77/568924777.db2.gz	WHFFAVWPRCHMJC-DAESXHAQSA-N	0	0	401.463	1.664	50	70	biogenic	HDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1OC	ZINC000217661340	568903662	/nfs/dbraw/zinc/90/36/62/568903662.db2.gz	GFZNBYWXERKFMV-LSDHHAIUSA-N	0	0	407.467	1.038	50	70	biogenic	HDIARN
COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217781626	568911552	/nfs/dbraw/zinc/91/15/52/568911552.db2.gz	FTSFEGYKDQAQRV-QGZVFWFLSA-N	0	0	403.431	1.881	50	70	biogenic	HDIARN
Cc1cc(OC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(=O)n1C	ZINC000217779031	568911580	/nfs/dbraw/zinc/91/15/80/568911580.db2.gz	FQUXGVKYOHSOPT-UHFFFAOYSA-N	0	0	420.487	1.697	50	70		HDIARN
CN(CC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)S(C)(=O)=O	ZINC000217799839	568912847	/nfs/dbraw/zinc/91/28/47/568912847.db2.gz	WADYQHBWCBFYEY-CYBMUJFWSA-N	0	0	410.471	1.548	50	70		HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1OC	ZINC000217801194	568913067	/nfs/dbraw/zinc/91/30/67/568913067.db2.gz	BCEJYVAGZVNRCP-KRWDZBQOSA-N	0	0	411.458	1.873	50	70	biogenic	HDIARN
COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)c1c2[nH]snc-2ccc1=O	ZINC000218194915	568476159	/nfs/dbraw/zinc/47/61/59/568476159.db2.gz	WXJQSWTUXADPJC-LLVKDONJSA-N	0	0	417.443	1.965	50	70		HDIARN
COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O	ZINC000218271311	568477183	/nfs/dbraw/zinc/47/71/83/568477183.db2.gz	UNEDZZGSNDMKSS-OAHLLOKOSA-N	0	0	406.442	1.961	50	70		HDIARN
COCCn1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21	ZINC000218334927	568478595	/nfs/dbraw/zinc/47/85/95/568478595.db2.gz	OHLDPWDJPBTCKH-UHFFFAOYSA-N	0	0	409.490	1.825	50	70		HDIARN
CC(C)C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217607213	568897921	/nfs/dbraw/zinc/89/79/21/568897921.db2.gz	AOFUIKDJJOOQST-LPHOPBHVSA-N	0	0	414.506	1.934	50	70	biogenic	HDIARN
CS(=O)(=O)c1ccc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cc1	ZINC000217680150	568905280	/nfs/dbraw/zinc/90/52/80/568905280.db2.gz	XVJHUWKYNMRKFE-MQVJKMGUSA-N	0	0	414.549	1.094	50	70		HDIARN
COc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1Cl	ZINC000217740191	568908983	/nfs/dbraw/zinc/90/89/83/568908983.db2.gz	KNMAAWLWJQBLBK-ZIAGYGMSSA-N	0	0	410.879	1.673	50	70		HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1OC	ZINC000217832946	568915277	/nfs/dbraw/zinc/91/52/77/568915277.db2.gz	OCCXBAKJTUOTNQ-JKSUJKDBSA-N	0	0	421.494	1.080	50	70	biogenic	HDIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cn1	ZINC000217966076	568921407	/nfs/dbraw/zinc/92/14/07/568921407.db2.gz	WPZDUXPQUUAMMV-UHFFFAOYSA-N	0	0	405.505	1.567	50	70		HDIARN
COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1C(N)=O	ZINC000218001372	568922389	/nfs/dbraw/zinc/92/23/89/568922389.db2.gz	OURQIRIZYHCRAC-LJQANCHMSA-N	0	0	404.444	1.726	50	70		HDIARN
COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218090162	568925354	/nfs/dbraw/zinc/92/53/54/568925354.db2.gz	IQIRVGWHKKOMQN-VIFPVBQESA-N	0	0	409.778	1.944	50	70	biogenic	HDIARN
CCOC(=O)N1CCC(NC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)CC1	ZINC000217475722	568883535	/nfs/dbraw/zinc/88/35/35/568883535.db2.gz	IOMDENUQNKTEEU-QGZVFWFLSA-N	0	0	405.430	1.502	50	70		HDIARN
O=S(=O)(c1ccc2c(c1)CCCC2)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217616495	568899082	/nfs/dbraw/zinc/89/90/82/568899082.db2.gz	IODNBPDXVFTXSX-UHFFFAOYSA-N	0	0	400.504	1.897	50	70		HDIARN
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217642122	568901376	/nfs/dbraw/zinc/90/13/76/568901376.db2.gz	SEVZEAMLJLKEJK-HNNXBMFYSA-N	0	0	419.430	1.587	50	70	biogenic	HDIARN
Cc1ncn(CC(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)c(=O)c1C	ZINC000217845474	568915818	/nfs/dbraw/zinc/91/58/18/568915818.db2.gz	HAKXCWHXQZKBRQ-OAHLLOKOSA-N	0	0	409.450	1.181	50	70		HDIARN
COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O	ZINC000218349930	568929647	/nfs/dbraw/zinc/92/96/47/568929647.db2.gz	OYRKSSHIHKPPRE-INIZCTEOSA-N	0	0	405.426	1.762	50	70		HDIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(N2CCOCC2)c1	ZINC000218366356	568479309	/nfs/dbraw/zinc/47/93/09/568479309.db2.gz	LHEQWKFIRWAXFI-IBGZPJMESA-N	0	0	408.458	1.993	50	70		HDIARN
CCOC(=O)c1csc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1	ZINC000218392533	568479786	/nfs/dbraw/zinc/47/97/86/568479786.db2.gz	JAOVSFSNLNZZQW-LBPRGKRZSA-N	0	0	420.422	1.908	50	70		HDIARN
COCCn1c(CCNC(=O)c2ccccc2-n2nnnc2C)nc2ccccc21	ZINC000218468890	568480730	/nfs/dbraw/zinc/48/07/30/568480730.db2.gz	HFJMFQPMGDPNFA-UHFFFAOYSA-N	0	0	405.462	1.939	50	70		HDIARN
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1nnc2ccccn21	ZINC000218487259	568480993	/nfs/dbraw/zinc/48/09/93/568480993.db2.gz	AUXVYRVRLSLTTE-UHFFFAOYSA-N	0	0	412.475	1.414	50	70		HDIARN
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217642043	568901464	/nfs/dbraw/zinc/90/14/64/568901464.db2.gz	SEVZEAMLJLKEJK-OAHLLOKOSA-N	0	0	419.430	1.587	50	70	biogenic	HDIARN
COC(=O)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21	ZINC000217770463	568911149	/nfs/dbraw/zinc/91/11/49/568911149.db2.gz	PWWDDPHXOCYWLI-FQEVSTJZSA-N	0	0	407.426	1.871	50	70	biogenic	HDIARN
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)Cc1ccccc1)C=C2	ZINC000217779244	568911599	/nfs/dbraw/zinc/91/15/99/568911599.db2.gz	RUGMKWGWILZBPW-IBGZPJMESA-N	0	0	410.470	1.779	50	70	biogenic	HDIARN
O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217843115	568915833	/nfs/dbraw/zinc/91/58/33/568915833.db2.gz	UZICWXCQHRLLBQ-CQSZACIVSA-N	0	0	420.429	1.916	50	70		HDIARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217854212	568916529	/nfs/dbraw/zinc/91/65/29/568916529.db2.gz	USFMMDXXNBPNNV-CQSZACIVSA-N	0	0	417.495	1.520	50	70		HDIARN
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217903570	568919065	/nfs/dbraw/zinc/91/90/65/568919065.db2.gz	IENWNZWOMGXXOK-OAHLLOKOSA-N	0	0	419.430	1.587	50	70	biogenic	HDIARN
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2	ZINC000218012291	568923482	/nfs/dbraw/zinc/92/34/82/568923482.db2.gz	DTUMBUFHMCNBTB-JOCHJYFZSA-N	0	0	412.442	1.380	50	70		HDIARN
COc1ccccc1-c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n[nH]1	ZINC000217676509	568473416	/nfs/dbraw/zinc/47/34/16/568473416.db2.gz	OEJZGBMUNHIHHG-AWEZNQCLSA-N	0	0	406.402	1.560	50	70	biogenic	HDIARN
COC(=O)[C@H](C)NC(=O)CCC(=O)N1CCN(c2nsc3ccccc32)CC1	ZINC000218393237	568479704	/nfs/dbraw/zinc/47/97/04/568479704.db2.gz	MBPFIEROHMZANP-ZDUSSCGKSA-N	0	0	404.492	1.403	50	70		HDIARN
CCOC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1	ZINC000218594768	568482298	/nfs/dbraw/zinc/48/22/98/568482298.db2.gz	HUGNEWQVOMNLPU-KRWDZBQOSA-N	0	0	416.478	1.926	50	70		HDIARN
COC(=O)C[C@H](c1ccccc1OC)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217895845	568918618	/nfs/dbraw/zinc/91/86/18/568918618.db2.gz	WNVNBROFRCZNAO-MRXNPFEDSA-N	0	0	403.431	1.881	50	70	biogenic	HDIARN
COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O	ZINC000218271374	568477212	/nfs/dbraw/zinc/47/72/12/568477212.db2.gz	UNEDZZGSNDMKSS-HNNXBMFYSA-N	0	0	406.442	1.961	50	70		HDIARN
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCCN1CCOCC1	ZINC000218431936	568480320	/nfs/dbraw/zinc/48/03/20/568480320.db2.gz	XOOBCKLHFHUCEJ-SFHVURJKSA-N	0	0	410.474	1.493	50	70		HDIARN
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000218470094	568480765	/nfs/dbraw/zinc/48/07/65/568480765.db2.gz	AEOAKKTZMWASDQ-CQSZACIVSA-N	0	0	410.430	1.426	50	70		HDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1	ZINC000218557261	568481737	/nfs/dbraw/zinc/48/17/37/568481737.db2.gz	PVCVUAIAVYBDCE-KRWDZBQOSA-N	0	0	407.430	1.676	50	70		HDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217626310	568899645	/nfs/dbraw/zinc/89/96/45/568899645.db2.gz	RJMDUFBYGLSZSU-MDASCCDHSA-N	0	0	414.506	1.934	50	70	biogenic	HDIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH]cn1	ZINC000217864396	568916626	/nfs/dbraw/zinc/91/66/26/568916626.db2.gz	QFMMVHRYSCJVNX-HXUWFJFHSA-N	0	0	401.426	1.883	50	70	biogenic	HDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)CCSC)C2=O)cc1	ZINC000217871741	568916844	/nfs/dbraw/zinc/91/68/44/568916844.db2.gz	AOKTYIFAFMAFTA-HOCLYGCPSA-N	0	0	409.508	1.126	50	70	biogenic	HDIARN
COc1ccc(CCN2C[C@@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1OC	ZINC000217919943	568919837	/nfs/dbraw/zinc/91/98/37/568919837.db2.gz	KZIZCCRAXAABFM-RBUKOAKNSA-N	0	0	412.486	1.945	50	70	biogenic	HDIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1	ZINC000217937393	568920303	/nfs/dbraw/zinc/92/03/03/568920303.db2.gz	VMNFHQKJFYIYGU-HKUYNNGSSA-N	0	0	411.458	1.226	50	70	biogenic	HDIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cn1	ZINC000217967405	568921416	/nfs/dbraw/zinc/92/14/16/568921416.db2.gz	NADPUAPEBDBSFV-UHFFFAOYSA-N	0	0	416.459	1.063	50	70		HDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1	ZINC000218042026	568924823	/nfs/dbraw/zinc/92/48/23/568924823.db2.gz	WHFFAVWPRCHMJC-XXHMAFKTSA-N	0	0	401.463	1.664	50	70	biogenic	HDIARN
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217625557	569052775	/nfs/dbraw/zinc/05/27/75/569052775.db2.gz	VDPWOKAAEOJLQA-OAHLLOKOSA-N	0	0	417.414	1.601	50	70	biogenic	HDIARN
COCc1nnc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)s1	ZINC000218283436	568477434	/nfs/dbraw/zinc/47/74/34/568477434.db2.gz	NBMLJBLWZMMOJL-NSHDSACASA-N	0	0	409.855	1.787	50	70		HDIARN
COc1ccc(-c2nc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)cc1	ZINC000217682404	568905781	/nfs/dbraw/zinc/90/57/81/568905781.db2.gz	RTMAPTMCCQBYGA-INIZCTEOSA-N	0	0	420.429	1.950	50	70	biogenic	HDIARN
CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1	ZINC000217726653	568908320	/nfs/dbraw/zinc/90/83/20/568908320.db2.gz	WQAJEJFMYOMWQT-QZTJIDSGSA-N	0	0	416.499	1.185	50	70		HDIARN
COc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1Cl	ZINC000217740118	568909045	/nfs/dbraw/zinc/90/90/45/568909045.db2.gz	KNMAAWLWJQBLBK-KBPBESRZSA-N	0	0	410.879	1.673	50	70		HDIARN
COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)cc1	ZINC000217742278	568909346	/nfs/dbraw/zinc/90/93/46/568909346.db2.gz	QJQPAJHNIDNDDK-IYBDPMFKSA-N	0	0	419.459	1.189	50	70		HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1	ZINC000217860271	568916491	/nfs/dbraw/zinc/91/64/91/568916491.db2.gz	MWLMHXWDOYVAHR-IBGZPJMESA-N	0	0	411.458	1.613	50	70	biogenic	HDIARN
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	ZINC000217915848	568919650	/nfs/dbraw/zinc/91/96/50/568919650.db2.gz	UUUDGKOGLSYSPU-PMACEKPBSA-N	0	0	409.486	1.650	50	70	biogenic	HDIARN
O=c1cc(CN2CCCCC2)oc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O	ZINC000218433409	568932530	/nfs/dbraw/zinc/93/25/30/568932530.db2.gz	FOKRAIBBJHIYCS-UHFFFAOYSA-N	0	0	413.400	1.957	50	70		HDIARN
COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)c1c2[nH]snc-2ccc1=O	ZINC000218194986	568476152	/nfs/dbraw/zinc/47/61/52/568476152.db2.gz	WXJQSWTUXADPJC-NSHDSACASA-N	0	0	417.443	1.965	50	70		HDIARN
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1	ZINC000218381860	568479511	/nfs/dbraw/zinc/47/95/11/568479511.db2.gz	AIFAQTTYMBYXIG-UHFFFAOYSA-N	0	0	409.899	1.310	50	70		HDIARN
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)[nH]n1	ZINC000217734208	568908792	/nfs/dbraw/zinc/90/87/92/568908792.db2.gz	CHFULILCCOBUKN-HUUCEWRRSA-N	0	0	406.442	1.861	50	70		HDIARN
COC(=O)Nc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cc1	ZINC000217742459	568909398	/nfs/dbraw/zinc/90/93/98/568909398.db2.gz	QJQPAJHNIDNDDK-HZPDHXFCSA-N	0	0	419.459	1.189	50	70		HDIARN
CS(=O)(=O)N1CCN(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)C1=O	ZINC000217881527	568917541	/nfs/dbraw/zinc/91/75/41/568917541.db2.gz	NVDBBVCNPWDAKY-UHFFFAOYSA-N	0	0	423.520	1.896	50	70		HDIARN
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@H](CO)c1ccccc1	ZINC000217909652	568919135	/nfs/dbraw/zinc/91/91/35/568919135.db2.gz	FUJKXBTWUWJHDT-VQTJNVASSA-N	0	0	420.469	1.871	50	70	biogenic	HDIARN
NS(=O)(=O)c1ccc(NC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)cc1	ZINC000217476017	568883465	/nfs/dbraw/zinc/88/34/65/568883465.db2.gz	BISWAQZPELACDN-MRXNPFEDSA-N	0	0	405.411	1.051	50	70		HDIARN
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217728162	568908537	/nfs/dbraw/zinc/90/85/37/568908537.db2.gz	GSFJPNUXINIIRX-KDURUIRLSA-N	0	0	408.433	1.851	50	70		HDIARN
COc1ccc(N2C[C@@H](C(=O)N3CCC(N4C(=O)CSC4=O)CC3)CC2=O)cc1	ZINC000217790843	568912087	/nfs/dbraw/zinc/91/20/87/568912087.db2.gz	RKGDQPDFGNVPMP-ZDUSSCGKSA-N	0	0	417.487	1.735	50	70		HDIARN
CCN1CCN(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)C(=O)C1=O	ZINC000217881395	568917553	/nfs/dbraw/zinc/91/75/53/568917553.db2.gz	WOYKUZKGBDAKTF-UHFFFAOYSA-N	0	0	401.492	1.889	50	70		HDIARN
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218005352	568922652	/nfs/dbraw/zinc/92/26/52/568922652.db2.gz	UAPYXPAGXWEXRS-ZDUSSCGKSA-N	0	0	424.409	1.433	50	70	biogenic	HDIARN
NC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218505280	568481135	/nfs/dbraw/zinc/48/11/35/568481135.db2.gz	PTCFLGUJVAVJKJ-LBPRGKRZSA-N	0	0	412.364	1.602	50	70		HDIARN
CC(C)Cc1nnc(NC(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)[nH]1	ZINC000218496524	568879085	/nfs/dbraw/zinc/87/90/85/568879085.db2.gz	POMRVUVTVNEKQN-AWEZNQCLSA-N	0	0	402.430	1.634	50	70		HDIARN
O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218640658	568885659	/nfs/dbraw/zinc/88/56/59/568885659.db2.gz	YECIPEXIXIFVTR-UHFFFAOYSA-N	0	0	417.395	1.967	50	70		HDIARN
Cc1ccc(/C=C/S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1	ZINC000217971489	568921565	/nfs/dbraw/zinc/92/15/65/568921565.db2.gz	UBRALCMQYHFSJR-MDWZMJQESA-N	0	0	424.548	1.426	50	70		HDIARN
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218081522	568925191	/nfs/dbraw/zinc/92/51/91/568925191.db2.gz	DLDJZOLPOFARNW-SNVBAGLBSA-N	0	0	407.375	1.285	50	70	biogenic	HDIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCN1C(=O)c2ccncc2C1=O	ZINC000218300189	568478043	/nfs/dbraw/zinc/47/80/43/568478043.db2.gz	LSCJIOFTIHIGGQ-AWEZNQCLSA-N	0	0	421.457	1.941	50	70		HDIARN
O=C(CCCCCn1nnc2ccccc2c1=O)NCCc1nnc2ccccn21	ZINC000218530009	568481540	/nfs/dbraw/zinc/48/15/40/568481540.db2.gz	XOFWTANKLBOXOU-UHFFFAOYSA-N	0	0	405.462	1.754	50	70		HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)CCSC)C2=O)cc1	ZINC000217694058	568906862	/nfs/dbraw/zinc/90/68/62/568906862.db2.gz	KJCZXMKQUBUPEV-RDJZCZTQSA-N	0	0	423.535	1.169	50	70	biogenic	HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1	ZINC000217814245	568913926	/nfs/dbraw/zinc/91/39/26/568913926.db2.gz	LIZPLNWXIPCZFS-RBUKOAKNSA-N	0	0	411.458	1.398	50	70	biogenic	HDIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(COc2ccccc2)n1	ZINC000217846625	568474107	/nfs/dbraw/zinc/47/41/07/568474107.db2.gz	YNHHSYFKEYAYNP-HNNXBMFYSA-N	0	0	406.402	1.463	50	70	biogenic	HDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCCCCc1nnc2ccccn21	ZINC000218311754	568478193	/nfs/dbraw/zinc/47/81/93/568478193.db2.gz	DQBFBWXWNHQSPT-INIZCTEOSA-N	0	0	424.461	1.662	50	70		HDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(Cc4ccccc4)CC3)C2=O)cc1	ZINC000218440245	568480326	/nfs/dbraw/zinc/48/03/26/568480326.db2.gz	IKSJEIRQGQGNLW-FQEVSTJZSA-N	0	0	422.485	1.855	50	70		HDIARN
CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1	ZINC000218604047	568482391	/nfs/dbraw/zinc/48/23/91/568482391.db2.gz	XDIFFPXYVLLDGS-HNNXBMFYSA-N	0	0	402.451	1.581	50	70		HDIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000218289400	568837409	/nfs/dbraw/zinc/83/74/09/568837409.db2.gz	VWRIXYXYDRHOHD-AWEZNQCLSA-N	0	0	406.416	1.592	50	70		HDIARN
Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	ZINC000217697651	568906858	/nfs/dbraw/zinc/90/68/58/568906858.db2.gz	ZNZXTMFNDIZBJQ-UHFFFAOYSA-N	0	0	421.903	1.840	50	70		HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3cccn3C)C2=O)cc1OC	ZINC000217740080	568909011	/nfs/dbraw/zinc/90/90/11/568909011.db2.gz	MSFMYWXZBMTZPK-INIZCTEOSA-N	0	0	414.462	1.212	50	70	biogenic	HDIARN
Cn1nc(CN(C(=O)N2CCN(S(C)(=O)=O)C2=O)C2CCCC2)c2c1CCC2	ZINC000217912285	568919578	/nfs/dbraw/zinc/91/95/78/568919578.db2.gz	YKEJSPUIQCNUTN-UHFFFAOYSA-N	0	0	409.512	1.471	50	70		HDIARN
NC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218094971	568925611	/nfs/dbraw/zinc/92/56/11/568925611.db2.gz	XHOXRWIMUITOOH-KRWDZBQOSA-N	0	0	409.442	1.733	50	70	biogenic	HDIARN
COCc1nnc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)s1	ZINC000218180570	568475995	/nfs/dbraw/zinc/47/59/95/568475995.db2.gz	MAVKRPFCYLMKRX-LBPRGKRZSA-N	0	0	407.427	1.663	50	70		HDIARN
COc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)cc1F	ZINC000217474526	568883313	/nfs/dbraw/zinc/88/33/13/568883313.db2.gz	MQIAKZUVMDXWIV-ZDUSSCGKSA-N	0	0	413.409	1.123	50	70		HDIARN
C[C@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2o1	ZINC000218001265	568922436	/nfs/dbraw/zinc/92/24/36/568922436.db2.gz	WBDMKLLWOLQMOD-IBGZPJMESA-N	0	0	404.444	1.483	50	70		HDIARN
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218053161	568924901	/nfs/dbraw/zinc/92/49/01/568924901.db2.gz	RGNAMBMKNZIASR-LLVKDONJSA-N	0	0	421.402	1.588	50	70	biogenic	HDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCc2ccccn2)cc1	ZINC000218140375	568475761	/nfs/dbraw/zinc/47/57/61/568475761.db2.gz	FDRPUPOHWSQXDM-QGZVFWFLSA-N	0	0	424.457	1.790	50	70		HDIARN
CC(C)Cc1nnc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)[nH]1	ZINC000218168457	568475984	/nfs/dbraw/zinc/47/59/84/568475984.db2.gz	POOZFTRGXDHPGQ-AWEZNQCLSA-N	0	0	402.430	1.982	50	70		HDIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(Cc2ccccc2)no1	ZINC000218391802	568479785	/nfs/dbraw/zinc/47/97/85/568479785.db2.gz	ROZAZBSCOSDFKO-KRWDZBQOSA-N	0	0	419.441	1.808	50	70		HDIARN
CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cc1	ZINC000217726564	568908359	/nfs/dbraw/zinc/90/83/59/568908359.db2.gz	WQAJEJFMYOMWQT-ROUUACIJSA-N	0	0	416.499	1.185	50	70		HDIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH]cn1	ZINC000217864476	568916595	/nfs/dbraw/zinc/91/65/95/568916595.db2.gz	QFMMVHRYSCJVNX-FQEVSTJZSA-N	0	0	401.426	1.883	50	70	biogenic	HDIARN
O=C1CCc2cc(S(=O)(=O)NCCn3ccnc3-c3ccccn3)cc3c2N1CC3	ZINC000217865506	568916758	/nfs/dbraw/zinc/91/67/58/568916758.db2.gz	IDBZAAROZTXKKD-UHFFFAOYSA-N	0	0	423.498	1.759	50	70		HDIARN
Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000217872539	568917290	/nfs/dbraw/zinc/91/72/90/568917290.db2.gz	NSTJYEXTRREQCA-UHFFFAOYSA-N	0	0	415.475	1.096	50	70		HDIARN
NC(=O)COc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)cc1	ZINC000217894311	568918678	/nfs/dbraw/zinc/91/86/78/568918678.db2.gz	UOVCWWHTTRXLDD-UHFFFAOYSA-N	0	0	406.489	1.454	50	70		HDIARN
COc1ccc(CCN2C[C@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1OC	ZINC000217919859	568919809	/nfs/dbraw/zinc/91/98/09/568919809.db2.gz	KZIZCCRAXAABFM-RTBURBONSA-N	0	0	412.486	1.945	50	70	biogenic	HDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1	ZINC000218041783	568924639	/nfs/dbraw/zinc/92/46/39/568924639.db2.gz	WHFFAVWPRCHMJC-FNXXIHLHSA-N	0	0	401.463	1.664	50	70	biogenic	HDIARN
O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218629816	568942244	/nfs/dbraw/zinc/94/22/44/568942244.db2.gz	JKPQPLODQWNGQC-UHFFFAOYSA-N	0	0	415.461	1.265	50	70		HDIARN
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217625629	569052772	/nfs/dbraw/zinc/05/27/72/569052772.db2.gz	VDPWOKAAEOJLQA-HNNXBMFYSA-N	0	0	417.414	1.601	50	70	biogenic	HDIARN
C[C@H](NC(=O)Cn1ccc2c1cccc2NS(C)(=O)=O)c1nnc2ccccn21	ZINC000218143510	568475748	/nfs/dbraw/zinc/47/57/48/568475748.db2.gz	ANVFMKHLOOLKPM-ZDUSSCGKSA-N	0	0	412.475	1.933	50	70		HDIARN
CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(OC(F)(F)F)cc3c2O)CC1	ZINC000218220433	568476519	/nfs/dbraw/zinc/47/65/19/568476519.db2.gz	WIRCHXMMRYVJEK-UHFFFAOYSA-N	0	0	419.381	1.556	50	70		HDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O	ZINC000217593322	568896349	/nfs/dbraw/zinc/89/63/49/568896349.db2.gz	KBJZBAUKNHDOPE-FHLIZLRMSA-N	0	0	405.495	1.462	50	70	biogenic	HDIARN
COc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)cc1Cl	ZINC000217740035	568908948	/nfs/dbraw/zinc/90/89/48/568908948.db2.gz	KNMAAWLWJQBLBK-OKILXGFUSA-N	0	0	410.879	1.673	50	70		HDIARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCOCC3)o1)CC2	ZINC000217737591	568909017	/nfs/dbraw/zinc/90/90/17/568909017.db2.gz	OZAWSIXOJJJAGC-UHFFFAOYSA-N	0	0	416.474	1.753	50	70	biogenic	HDIARN
CC(C)C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000217748801	568909314	/nfs/dbraw/zinc/90/93/14/568909314.db2.gz	HZRAZQHJQJPYLV-GJZGRUSLSA-N	0	0	405.451	1.139	50	70	biogenic	HDIARN
O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217843205	568915772	/nfs/dbraw/zinc/91/57/72/568915772.db2.gz	UZICWXCQHRLLBQ-AWEZNQCLSA-N	0	0	420.429	1.916	50	70		HDIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2ccncc2)no1	ZINC000218141904	568475772	/nfs/dbraw/zinc/47/57/72/568475772.db2.gz	FLNZMPRDXAJQKV-HNNXBMFYSA-N	0	0	406.402	1.279	50	70		HDIARN
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)CC1	ZINC000218263677	568477060	/nfs/dbraw/zinc/47/70/60/568477060.db2.gz	YEBRXRLXVRQJJT-KRWDZBQOSA-N	0	0	419.453	1.480	50	70		HDIARN
CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217892485	568918664	/nfs/dbraw/zinc/91/86/64/568918664.db2.gz	FOWQENSLMGZHNR-YOEHRIQHSA-N	0	0	418.519	1.251	50	70	biogenic	HDIARN
COC(=O)C[C@@H](c1ccccc1OC)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217895743	568918685	/nfs/dbraw/zinc/91/86/85/568918685.db2.gz	WNVNBROFRCZNAO-INIZCTEOSA-N	0	0	403.431	1.881	50	70	biogenic	HDIARN
COc1cccc2cc(C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)oc21	ZINC000217965859	568921379	/nfs/dbraw/zinc/92/13/79/568921379.db2.gz	RRZTUMKYORBBIE-UHFFFAOYSA-N	0	0	418.475	1.712	50	70		HDIARN
COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(O)cc3)C2)sc1C	ZINC000217764079	568473827	/nfs/dbraw/zinc/47/38/27/568473827.db2.gz	OJPKIMMXKFTSMT-CYBMUJFWSA-N	0	0	403.460	1.973	50	70	biogenic	HDIARN
COc1ccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c(OC)c1	ZINC000218206772	568476368	/nfs/dbraw/zinc/47/63/68/568476368.db2.gz	RNVFYUDKOUQORA-UHFFFAOYSA-N	0	0	404.419	1.507	50	70		HDIARN
COC(=O)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000218404360	568479865	/nfs/dbraw/zinc/47/98/65/568479865.db2.gz	MYMQECMQSQCWOW-KRWDZBQOSA-N	0	0	401.463	1.689	50	70		HDIARN
O=C(c1cn(C[C@H](O)c2ccccc2F)nn1)N1CCN(C(=O)c2ccco2)CC1	ZINC000217473311	568883275	/nfs/dbraw/zinc/88/32/75/568883275.db2.gz	NDGIFFYEGDCDRV-KRWDZBQOSA-N	0	0	413.409	1.342	50	70		HDIARN
CC(C)C[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217683819	568905807	/nfs/dbraw/zinc/90/58/07/568905807.db2.gz	PLHWNPJRZZHBOW-YJBOKZPZSA-N	0	0	400.479	1.544	50	70	biogenic	HDIARN
CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)cc1	ZINC000217726487	568908354	/nfs/dbraw/zinc/90/83/54/568908354.db2.gz	WQAJEJFMYOMWQT-HDICACEKSA-N	0	0	416.499	1.185	50	70		HDIARN
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218081604	568925141	/nfs/dbraw/zinc/92/51/41/568925141.db2.gz	DLDJZOLPOFARNW-JTQLQIEISA-N	0	0	407.375	1.285	50	70	biogenic	HDIARN
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218111524	568925944	/nfs/dbraw/zinc/92/59/44/568925944.db2.gz	NOCRXLDIBZMURY-NSHDSACASA-N	0	0	419.386	1.342	50	70	biogenic	HDIARN
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O	ZINC000218040512	569010011	/nfs/dbraw/zinc/01/00/11/569010011.db2.gz	LTWGBVSZWCGMHE-UXHICEINSA-N	0	0	423.513	1.957	50	70		HDIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1nc2c(cc1=O)CCCC2	ZINC000218120954	568475207	/nfs/dbraw/zinc/47/52/07/568475207.db2.gz	IXJZDHUNHAHRHV-HNNXBMFYSA-N	0	0	409.490	1.996	50	70		HDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OCc2cccnc2)c1	ZINC000218168547	568476054	/nfs/dbraw/zinc/47/60/54/568476054.db2.gz	DKCDKUQUXLBOAO-QGZVFWFLSA-N	0	0	424.457	1.790	50	70		HDIARN
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1nnnn1-c1ccccc1	ZINC000218543698	568481605	/nfs/dbraw/zinc/48/16/05/568481605.db2.gz	HBFMXPXBCUUPNA-QGZVFWFLSA-N	0	0	408.462	1.550	50	70		HDIARN
C[C@](O)(CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1cc2ccccc2s1	ZINC000217516297	568887809	/nfs/dbraw/zinc/88/78/09/568887809.db2.gz	FGXKRSXIKHMFDE-IBGZPJMESA-N	0	0	420.512	1.951	50	70		HDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)c1ccccc1	ZINC000217629235	568899739	/nfs/dbraw/zinc/89/97/39/568899739.db2.gz	FURIWUYZBQLDDN-JKSUJKDBSA-N	0	0	411.414	1.076	50	70	biogenic	HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc(C)n3)C2=O)cc1OC	ZINC000218366723	568930018	/nfs/dbraw/zinc/93/00/18/568930018.db2.gz	RWVRKMMEZLMIDT-HNNXBMFYSA-N	0	0	412.446	1.899	50	70		HDIARN
COc1ccccc1N1CC[NH+](Cc2c([O-])c(CN3CCOCC3)coc2=O)CC1	ZINC000218550048	568481615	/nfs/dbraw/zinc/48/16/15/568481615.db2.gz	NGFLMWXGLPPJTN-UHFFFAOYSA-N	0	0	415.490	1.508	50	70		HDIARN
COc1ccccc1N1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1	ZINC000218466689	568877644	/nfs/dbraw/zinc/87/76/44/568877644.db2.gz	MPKZLJDCZVBHMP-UHFFFAOYSA-N	0	0	415.490	1.508	50	70		HDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000217741796	568909344	/nfs/dbraw/zinc/90/93/44/568909344.db2.gz	NOSGGHBIEWKMEN-VNQPRFMTSA-N	0	0	421.494	1.428	50	70	biogenic	HDIARN
COC(=O)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21	ZINC000217770391	568911146	/nfs/dbraw/zinc/91/11/46/568911146.db2.gz	PWWDDPHXOCYWLI-HXUWFJFHSA-N	0	0	407.426	1.871	50	70	biogenic	HDIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1	ZINC000217813790	568913937	/nfs/dbraw/zinc/91/39/37/568913937.db2.gz	IEXCWXWWHYKXLI-SFHVURJKSA-N	0	0	424.457	1.676	50	70	biogenic	HDIARN
COc1c2c(c(S(=O)(=O)NCc3ccccc3)c3c1C(=O)N(C)CC3)OCO2	ZINC000217972052	568921818	/nfs/dbraw/zinc/92/18/18/568921818.db2.gz	LKQAGQVMDXHNBI-UHFFFAOYSA-N	0	0	404.444	1.531	50	70	biogenic	HDIARN
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218094487	568925546	/nfs/dbraw/zinc/92/55/46/568925546.db2.gz	DEMYATQMHSWBBW-NSHDSACASA-N	0	0	421.402	1.588	50	70	biogenic	HDIARN
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O	ZINC000218040434	569010041	/nfs/dbraw/zinc/01/00/41/569010041.db2.gz	LTWGBVSZWCGMHE-PMACEKPBSA-N	0	0	423.513	1.957	50	70		HDIARN
CC(C)(C)OC(=O)NCCNC(=O)Cn1ccc2c1cccc2NS(C)(=O)=O	ZINC000218418755	568480110	/nfs/dbraw/zinc/48/01/10/568480110.db2.gz	NFMKRAKYUDXKQU-UHFFFAOYSA-N	0	0	410.496	1.654	50	70		HDIARN
CC(C)S(=O)(=O)N1CCN(Cc2oc(CN3CCCCC3)cc(=O)c2O)CC1	ZINC000218493020	568481003	/nfs/dbraw/zinc/48/10/03/568481003.db2.gz	IFQLWHLIKOPTHY-UHFFFAOYSA-N	0	0	413.540	1.187	50	70		HDIARN
COCCn1c(CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21	ZINC000218519442	568481357	/nfs/dbraw/zinc/48/13/57/568481357.db2.gz	URVIZLICIFSUPH-UHFFFAOYSA-N	0	0	405.458	1.821	50	70		HDIARN
CCOC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1	ZINC000218521784	568481389	/nfs/dbraw/zinc/48/13/89/568481389.db2.gz	YESWFHUNSCQEFM-KRWDZBQOSA-N	0	0	424.457	1.955	50	70		HDIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3nc4ccccc4s3)CC2)cn1	ZINC000217967743	568921335	/nfs/dbraw/zinc/92/13/35/568921335.db2.gz	KEIMQHUIYNMOSM-UHFFFAOYSA-N	0	0	405.505	1.567	50	70		HDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	ZINC000218287170	568477512	/nfs/dbraw/zinc/47/75/12/568477512.db2.gz	CNTWSDVXCWCSII-LLVKDONJSA-N	0	0	401.341	1.715	50	70		HDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	ZINC000218287202	568477579	/nfs/dbraw/zinc/47/75/79/568477579.db2.gz	CNTWSDVXCWCSII-NSHDSACASA-N	0	0	401.341	1.715	50	70		HDIARN
O=C(COc1ccc2c(c1)NC(=O)CC2)NCCn1c2ccccc2[nH]c(=O)c1=O	ZINC000218428758	568480179	/nfs/dbraw/zinc/48/01/79/568480179.db2.gz	WBOIGCSOFXVWQS-UHFFFAOYSA-N	0	0	408.414	1.182	50	70		HDIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000218289338	568837405	/nfs/dbraw/zinc/83/74/05/568837405.db2.gz	VWRIXYXYDRHOHD-CQSZACIVSA-N	0	0	406.416	1.592	50	70		HDIARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217854305	568916561	/nfs/dbraw/zinc/91/65/61/568916561.db2.gz	USFMMDXXNBPNNV-AWEZNQCLSA-N	0	0	417.495	1.520	50	70		HDIARN
CN1C(=O)COc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21	ZINC000217916476	568919716	/nfs/dbraw/zinc/91/97/16/568919716.db2.gz	QYCSGFGDNMZNLO-HNNXBMFYSA-N	0	0	408.414	1.511	50	70	biogenic	HDIARN
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000218279458	568477317	/nfs/dbraw/zinc/47/73/17/568477317.db2.gz	QWWANEYCXHTOGU-KRWDZBQOSA-N	0	0	417.462	1.307	50	70		HDIARN
NS(=O)(=O)c1ccc(NC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)cc1	ZINC000217476099	568883473	/nfs/dbraw/zinc/88/34/73/568883473.db2.gz	BISWAQZPELACDN-INIZCTEOSA-N	0	0	405.411	1.051	50	70		HDIARN
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000218470024	568480791	/nfs/dbraw/zinc/48/07/91/568480791.db2.gz	AEOAKKTZMWASDQ-AWEZNQCLSA-N	0	0	410.430	1.426	50	70		HDIARN
NC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218505190	568481076	/nfs/dbraw/zinc/48/10/76/568481076.db2.gz	PTCFLGUJVAVJKJ-GFCCVEGCSA-N	0	0	412.364	1.602	50	70		HDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1	ZINC000217610172	568897837	/nfs/dbraw/zinc/89/78/37/568897837.db2.gz	VVXQADZSYSIAAW-RBUKOAKNSA-N	0	0	411.458	1.746	50	70	biogenic	HDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccncc3)C2=O)cc1OC	ZINC000217614205	568898935	/nfs/dbraw/zinc/89/89/35/568898935.db2.gz	OWWNFWVYYZOSEW-INIZCTEOSA-N	0	0	412.446	1.616	50	70	biogenic	HDIARN
Cn1c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2n(C)c1=O	ZINC000217809469	568913649	/nfs/dbraw/zinc/91/36/49/568913649.db2.gz	BLWIVPUVSIWYJC-HNNXBMFYSA-N	0	0	407.430	1.346	50	70	biogenic	HDIARN
O=C(c1ccccc1OC(F)(F)F)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218641691	568942448	/nfs/dbraw/zinc/94/24/48/568942448.db2.gz	QYMOHYCQRYBMIU-UHFFFAOYSA-N	0	0	419.367	1.918	50	70		HDIARN
CS(=O)(=O)N1CCN(C(=O)c2cnc3c(OC(F)(F)F)cccc3c2O)CC1	ZINC000218326483	568478472	/nfs/dbraw/zinc/47/84/72/568478472.db2.gz	IQWNWYOWSZZGEA-UHFFFAOYSA-N	0	0	419.381	1.556	50	70		HDIARN
COc1cccc(N2CC[NH+](Cc3c([O-])c(CN4CCOCC4)coc3=O)CC2)c1	ZINC000218607104	568482357	/nfs/dbraw/zinc/48/23/57/568482357.db2.gz	WASHJLWBDQLCAT-UHFFFAOYSA-N	0	0	415.490	1.508	50	70		HDIARN
Cn1nc(CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C2CCCC2)c2c1CCC2	ZINC000217910667	568919039	/nfs/dbraw/zinc/91/90/39/568919039.db2.gz	NWOBKMRBQUEJTR-UHFFFAOYSA-N	0	0	408.568	1.852	50	70		HDIARN
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218111449	568925896	/nfs/dbraw/zinc/92/58/96/568925896.db2.gz	NOCRXLDIBZMURY-LLVKDONJSA-N	0	0	419.386	1.342	50	70	biogenic	HDIARN
COCc1nnc(NC(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)s1	ZINC000218325165	568929183	/nfs/dbraw/zinc/92/91/83/568929183.db2.gz	MBIPCYRRQRDQPX-ZDUSSCGKSA-N	0	0	421.454	1.705	50	70		HDIARN
C[C@H](NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn21	ZINC000218181477	568476073	/nfs/dbraw/zinc/47/60/73/568476073.db2.gz	QKGLSKHMTLLIGA-HOCLYGCPSA-N	0	0	406.446	1.460	50	70		HDIARN
Cn1nnc(-c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1	ZINC000218280691	568477314	/nfs/dbraw/zinc/47/73/14/568477314.db2.gz	QPCNBEXRKKLKKZ-INIZCTEOSA-N	0	0	405.418	1.347	50	70		HDIARN
COc1ccc2nc(N3CCOCC3)c([C@@H](CC(N)=O)c3c(C)[nH][nH]c3=O)cc2c1	ZINC000218313199	568478208	/nfs/dbraw/zinc/47/82/08/568478208.db2.gz	IIBANUFSQHBPQT-OAHLLOKOSA-N	0	0	411.462	1.412	50	70		HDIARN
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1nnnn1-c1ccccc1	ZINC000218543626	568481606	/nfs/dbraw/zinc/48/16/06/568481606.db2.gz	HBFMXPXBCUUPNA-KRWDZBQOSA-N	0	0	408.462	1.550	50	70		HDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000217621789	568899698	/nfs/dbraw/zinc/89/96/98/568899698.db2.gz	WTUQBARDQGWPJY-VHDGCEQUSA-N	0	0	405.451	1.139	50	70	biogenic	HDIARN
Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1	ZINC000217970168	568921452	/nfs/dbraw/zinc/92/14/52/568921452.db2.gz	QBHUYAAXXOLXCN-UHFFFAOYSA-N	0	0	418.928	1.159	50	70		HDIARN
COc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1C(N)=O	ZINC000218001462	568922383	/nfs/dbraw/zinc/92/23/83/568922383.db2.gz	OURQIRIZYHCRAC-IBGZPJMESA-N	0	0	404.444	1.726	50	70		HDIARN
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218005444	568922670	/nfs/dbraw/zinc/92/26/70/568922670.db2.gz	UAPYXPAGXWEXRS-CYBMUJFWSA-N	0	0	424.409	1.433	50	70	biogenic	HDIARN
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2	ZINC000218012213	568923374	/nfs/dbraw/zinc/92/33/74/568923374.db2.gz	DTUMBUFHMCNBTB-QFIPXVFZSA-N	0	0	412.442	1.380	50	70		HDIARN
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3OC)C2=O)CC1	ZINC000218080095	568925152	/nfs/dbraw/zinc/92/51/52/568925152.db2.gz	AATJHLZYIYAZQC-INIZCTEOSA-N	0	0	417.462	1.307	50	70	biogenic	HDIARN
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218094415	568925537	/nfs/dbraw/zinc/92/55/37/568925537.db2.gz	DEMYATQMHSWBBW-LLVKDONJSA-N	0	0	421.402	1.588	50	70	biogenic	HDIARN