smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(OC)c1OC)C(=O)[C@H](OC)[C@@H](c1cc(O)c(OC)c(O)c1)O2	ZINC000069482249	291207524	/nfs/dbraw/zinc/20/75/24/291207524.db2.gz	LVXKHEKTAMSYQI-UZLBHIALSA-N	0	0	406.387	2.464	1	0	biogenic,in-vitro	HEAFRN
CNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCCC4=O	ZINC000103524762	291205689	/nfs/dbraw/zinc/20/56/89/291205689.db2.gz	YAXLMSDSGKIFEE-YDMAYZOUSA-N	0	0	413.518	2.422	1	0	biogenic,in-vitro	HEAFRN
COc1cc(CC[C@H](O)CC(=O)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O	ZINC000085632482	291206794	/nfs/dbraw/zinc/20/67/94/291206794.db2.gz	BASPATUFWCZXIF-IRXDYDNUSA-N	0	0	404.459	2.219	1	0	biogenic,in-vitro	HEAFRN
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)CC[NH2+]1	ZINC000003782309	132268894	/nfs/dbraw/zinc/26/88/94/132268894.db2.gz	LGYHKAUJYVYBIG-VIFPVBQESA-N	0	0	402.451	2.099	1	0		HEAFRN
O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000004057099	132270464	/nfs/dbraw/zinc/27/04/64/132270464.db2.gz	MJPYLTDWDGPCEF-LOHFZDIYSA-N	0	0	413.905	2.186	1	0		HEAFRN
CCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2oc1=O	ZINC000004958894	535762174	/nfs/dbraw/zinc/76/21/74/535762174.db2.gz	IQWRPLATZSASJM-UHFFFAOYSA-N	0	0	416.455	2.299	3	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681003	571718821	/nfs/dbraw/zinc/71/88/21/571718821.db2.gz	SWVWDNGFQHDELB-ATKPUVBQSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
CCCn1c2c(c(=O)n(CCC)c1=O)NC(c1ccc(S(C)(=O)=O)cc1)C2=O	ZINC000040845408	581093776	/nfs/dbraw/zinc/09/37/76/581093776.db2.gz	SIHIKPJYUGIIGL-UHFFFAOYSA-N	0	0	405.476	2.087	1	0		HEAFRN
Cc1cc2c(c(=O)n1CC(=O)NCc1ccc(N)nc1C)NC(=O)[C@H](CC1CCC1)C2	ZINC000013913387	581093898	/nfs/dbraw/zinc/09/38/98/581093898.db2.gz	AYWIUHKKDARFIP-GOSISDBHSA-N	0	0	423.517	2.060	1	0		HEAFRN
C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2	ZINC000084727651	291202085	/nfs/dbraw/zinc/20/20/85/291202085.db2.gz	NPUVRWFJDAPMIA-BDPKFFACSA-N	0	0	420.458	2.462	1	0		HEAFRN
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1	ZINC000007364670	132324174	/nfs/dbraw/zinc/32/41/74/132324174.db2.gz	HDPBJXKGFKDUCY-UHFFFAOYSA-N	0	0	413.499	2.285	3	0		HEAFRN
Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncnc(N3CCOCC3)c12	ZINC000008680282	132332146	/nfs/dbraw/zinc/33/21/46/132332146.db2.gz	YEOIGVFZVMFADH-UHFFFAOYSA-N	0	0	424.530	2.194	3	0		HEAFRN
CN(C)S(=O)(=O)N1CCN(C(=O)c2cnc3c(ccn3C3CCCCC3)c2)CC1	ZINC000072323665	521963362	/nfs/dbraw/zinc/96/33/62/521963362.db2.gz	GTQBUXCYLQZLQM-UHFFFAOYSA-N	0	0	419.551	2.106	2	0		HEAFRN
COc1ccc2c(c1)CN(CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)C2	ZINC000038460247	581093562	/nfs/dbraw/zinc/09/35/62/581093562.db2.gz	CMGVRLPXTCGYEI-UHFFFAOYSA-N	0	0	416.445	2.341	1	0		HEAFRN
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1	ZINC000013488042	581094025	/nfs/dbraw/zinc/09/40/25/581094025.db2.gz	MDTMQDZZOREKQA-UHFFFAOYSA-N	0	0	416.485	2.399	1	0		HEAFRN
COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccco1	ZINC000035849075	581100020	/nfs/dbraw/zinc/10/00/20/581100020.db2.gz	GWHLEQPYAKBEOB-GUXCAODWSA-N	0	0	424.453	2.369	1	0		HEAFRN
O=C(NCCn1ccnn1)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	ZINC000028570670	581101320	/nfs/dbraw/zinc/10/13/20/581101320.db2.gz	ZQALAAOOGFVCFY-UHFFFAOYSA-N	0	0	400.442	2.075	1	0		HEAFRN
CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)c(CCO)c(=O)c3c2OC2CCCC2)O1	ZINC000085594463	291203425	/nfs/dbraw/zinc/20/34/25/291203425.db2.gz	DFOVBIMALGLMSQ-SFHVURJKSA-N	0	0	404.459	2.216	1	0	biogenic,in-vitro	HEAFRN
C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC[NH2+]1	ZINC000026469742	132227343	/nfs/dbraw/zinc/22/73/43/132227343.db2.gz	LZLPFPCKKKILRV-SNVBAGLBSA-N	0	0	418.375	2.299	1	0		HEAFRN
CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC3CC3)cn2)CC1	ZINC000001483664	132247000	/nfs/dbraw/zinc/24/70/00/132247000.db2.gz	NWGUQINBWHBOIR-UHFFFAOYSA-N	0	0	408.506	2.152	1	0		HEAFRN
O=C(CCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1	ZINC000004192377	132272668	/nfs/dbraw/zinc/27/26/68/132272668.db2.gz	JFWTWFLXMALZCD-GQSCTRQFSA-N	0	0	411.477	2.062	1	0		HEAFRN
COc1cc2nc(N3CCN(C(=O)C4=C[C@@H]5C=C[C@H]4CC5)CC3)nc(N)c2cc1OC	ZINC000002022684	536895055	/nfs/dbraw/zinc/89/50/55/536895055.db2.gz	MXXRJJCMLRPJOF-CABCVRRESA-N	0	0	421.501	2.400	1	0		HEAFRN
Cc1cc(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O	ZINC000014680834	571718797	/nfs/dbraw/zinc/71/87/97/571718797.db2.gz	XAJFXYLALLZDAD-IBYCKKEJSA-N	0	0	420.502	2.108	1	0	endogenous,in-man	HEAFRN
O=C(CCCn1c2ccc(O)cc2c2c1ccc1c2C(=O)NC1=O)N1CCOCC1	ZINC000042888640	581098161	/nfs/dbraw/zinc/09/81/61/581098161.db2.gz	IEMAPJFWPQVOQO-UHFFFAOYSA-N	0	0	407.426	2.023	1	0		HEAFRN
COc1cc([C@@H]2Oc3c4oc(=O)ccc4cc(OC)c3O[C@H]2CO)cc(OC)c1O	ZINC000013400465	291206907	/nfs/dbraw/zinc/20/69/07/291206907.db2.gz	IXSZNNRKGDOXQI-YJBOKZPZSA-N	0	0	416.382	2.398	1	0	biogenic,in-vitro	HEAFRN
CN1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1	ZINC000049124943	581093559	/nfs/dbraw/zinc/09/35/59/581093559.db2.gz	AGRVNXQAHMJVIS-UHFFFAOYSA-N	0	0	400.486	2.189	1	0		HEAFRN
CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@H]([C@@H]23)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O	ZINC000095909949	291203168	/nfs/dbraw/zinc/20/31/68/291203168.db2.gz	JOUUKNPYEIJGRR-WZTLTSTHSA-N	0	0	402.443	2.149	1	0	biogenic,in-vitro	HEAFRN
COc1cc(/C=C\C(=O)OC[C@@H](O)COC(=O)/C=C/c2ccc(O)cc2)ccc1O	ZINC000059587789	291206788	/nfs/dbraw/zinc/20/67/88/291206788.db2.gz	GRWHNBXHXKFRHQ-FRPHQXFWSA-N	0	0	414.410	2.280	1	0	biogenic,in-vitro	HEAFRN
COc1cc(CC[C@H](O)C[C@@H](O)CCc2cc(OC)c(O)c(OCO)c2)ccc1O	ZINC000085595753	291206828	/nfs/dbraw/zinc/20/68/28/291206828.db2.gz	FDZHRHLQQOIRKM-IRXDYDNUSA-N	0	0	422.474	2.121	1	0	biogenic,in-vitro	HEAFRN
C[NH2+]C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)C1	ZINC000003782327	132268812	/nfs/dbraw/zinc/26/88/12/132268812.db2.gz	INTOODKEGFGVES-JTQLQIEISA-N	0	0	416.478	2.347	1	0		HEAFRN
CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccccc2)C1=O	ZINC000001355370	535004648	/nfs/dbraw/zinc/00/46/48/535004648.db2.gz	KNZFEJSUNZLZCG-UHFFFAOYSA-N	0	0	423.469	2.302	3	0		HEAFRN
Cc1ccc(Cl)cc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O	ZINC000003959138	132269221	/nfs/dbraw/zinc/26/92/21/132269221.db2.gz	FAHOBNITPWZGEH-UHFFFAOYSA-N	0	0	414.849	2.043	3	0		HEAFRN
Cc1cc(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O	ZINC000014680831	571718759	/nfs/dbraw/zinc/71/87/59/571718759.db2.gz	XAJFXYLALLZDAD-FWSCEXCJSA-N	0	0	420.502	2.108	1	0	endogenous,in-man	HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681077	571719378	/nfs/dbraw/zinc/71/93/78/571719378.db2.gz	ABFOJGYAILKEJB-XJMQMAFPSA-N	0	0	418.486	2.172	1	0	endogenous,in-man	HEAFRN
CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2	ZINC000095912790	291203167	/nfs/dbraw/zinc/20/31/67/291203167.db2.gz	NEDHMGGDODFBIE-OATPUUIRSA-N	0	0	404.459	2.461	1	0	biogenic,in-vitro	HEAFRN
COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3cc(CCCO)c(OC)cc3[C@@H]1O)CO2	ZINC000085593022	291209043	/nfs/dbraw/zinc/20/90/43/291209043.db2.gz	TVLMVBHDAGHWBO-FKKSXTGDSA-N	0	0	416.470	2.413	1	0	biogenic,in-vitro	HEAFRN
O=C(CCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1	ZINC000004192376	132272706	/nfs/dbraw/zinc/27/27/06/132272706.db2.gz	JFWTWFLXMALZCD-LPTDTENNSA-N	0	0	411.477	2.062	1	0		HEAFRN
Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21	ZINC000006868686	132319600	/nfs/dbraw/zinc/31/96/00/132319600.db2.gz	KQIRKQRTEDLCCQ-UHFFFAOYSA-N	0	0	402.447	2.347	3	0		HEAFRN
COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000000689801	560554497	/nfs/dbraw/zinc/55/44/97/560554497.db2.gz	YVCVYCSAAZQOJI-NVAWSTJUSA-N	0	0	400.383	2.106	1	0		HEAFRN
Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C	ZINC000027898939	581094002	/nfs/dbraw/zinc/09/40/02/581094002.db2.gz	INDPQHZQXSBCCD-UHFFFAOYSA-N	0	0	405.502	2.413	1	0		HEAFRN
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@@H]21)N3S(=O)(=O)N1CCCCC1	ZINC000013681470	581100172	/nfs/dbraw/zinc/10/01/72/581100172.db2.gz	PLIXCWFJAQYYCJ-XUVXKRRUSA-N	0	0	419.547	2.088	1	0		HEAFRN
COc1cc([C@@H]2c3c(C)nc4ccccc4c3C(=O)N3CCC[C@@H]23)cc(OC)c1O	ZINC000059587492	291202408	/nfs/dbraw/zinc/20/24/08/291202408.db2.gz	IDSHLVCWKLKMAH-UWJYYQICSA-N	0	0	403.458	2.070	1	0	biogenic,in-vitro	HEAFRN
COC(=O)c1ccccc1NC(=O)CN1c2cc(Cl)cnc2N2CCC[C@H]2C1=O	ZINC000020465121	132470223	/nfs/dbraw/zinc/47/02/23/132470223.db2.gz	HQQWFUQUHBSMPQ-HNNXBMFYSA-N	0	0	414.849	2.476	3	0		HEAFRN
COc1ccccc1N1CCN(C(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)CC1	ZINC000072322788	524552021	/nfs/dbraw/zinc/55/20/21/524552021.db2.gz	CCKCVBOFDALWQC-UHFFFAOYSA-N	0	0	421.501	2.246	2	0		HEAFRN
O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCC[C@H]1c1nccs1	ZINC000020537679	527432638	/nfs/dbraw/zinc/43/26/38/527432638.db2.gz	QWHCIOBPPGNIBN-KRWDZBQOSA-N	0	0	409.519	2.052	1	0		HEAFRN
CCN1[C@H]2c3ccccc3N(S(C)(=O)=O)[C@@H]1c1ccccc1N2S(C)(=O)=O	ZINC000033337374	568514155	/nfs/dbraw/zinc/51/41/55/568514155.db2.gz	RMERXKDKVCDYJM-QZTJIDSGSA-N	0	0	407.517	2.265	2	0		HEAFRN
CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@H]([C@H]23)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O	ZINC000095909950	291203163	/nfs/dbraw/zinc/20/31/63/291203163.db2.gz	JOUUKNPYEIJGRR-YNSRAJOLSA-N	0	0	402.443	2.149	1	0	biogenic,in-vitro	HEAFRN
CC[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@H]2C(=O)C[C@@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@H]1C2=O	ZINC000033834124	291204596	/nfs/dbraw/zinc/20/45/96/291204596.db2.gz	CHQGOWAOLJKTQX-GQJRUFTLSA-N	0	0	405.491	2.112	1	0	biogenic,in-vitro	HEAFRN
COc1cc2c(c(OC)c1OC)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O	ZINC000014616681	291207503	/nfs/dbraw/zinc/20/75/03/291207503.db2.gz	NBOVJURIMDHEEI-RISCZKNCSA-N	0	0	408.403	2.350	1	0	biogenic,in-vitro	HEAFRN
COc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000169304559	560762961	/nfs/dbraw/zinc/76/29/61/560762961.db2.gz	OZKGIYOKWNOVAS-RNEXODBNSA-N	0	0	411.454	2.253	1	0		HEAFRN
Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)N1CCN(c2ccccn2)CC1	ZINC000002465440	132254927	/nfs/dbraw/zinc/25/49/27/132254927.db2.gz	JMGDWUJZIBKNFB-UHFFFAOYSA-N	0	0	401.470	2.388	1	0		HEAFRN
CN(CC(=O)N1CCN(c2ccccc2Cl)CC1)S(=O)(=O)c1cccs1	ZINC000004789952	132288764	/nfs/dbraw/zinc/28/87/64/132288764.db2.gz	KVUFFFVQLCJLKK-UHFFFAOYSA-N	0	0	413.952	2.371	1	0		HEAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1	ZINC000005832975	132308165	/nfs/dbraw/zinc/30/81/65/132308165.db2.gz	BXUCYYQHKCMHKS-KRWDZBQOSA-N	0	0	413.453	2.009	1	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681001	571718812	/nfs/dbraw/zinc/71/88/12/571718812.db2.gz	SWVWDNGFQHDELB-BBIIYDPRSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
C[C@@H](c1ccc(-c2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000014948249	581095253	/nfs/dbraw/zinc/09/52/53/581095253.db2.gz	GVJGHGLMXNSVJN-AGRHKRQWSA-N	0	0	409.465	2.433	1	0		HEAFRN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1	ZINC000013488044	581092957	/nfs/dbraw/zinc/09/29/57/581092957.db2.gz	QRGDNHLJRQSUMJ-UHFFFAOYSA-N	0	0	416.485	2.399	1	0		HEAFRN
COc1cc([C@H]2Oc3c4oc(=O)ccc4cc(OC)c3O[C@@H]2CO)cc(OC)c1O	ZINC000013400472	291207283	/nfs/dbraw/zinc/20/72/83/291207283.db2.gz	IXSZNNRKGDOXQI-CRAIPNDOSA-N	0	0	416.382	2.398	1	0	biogenic,in-vitro	HEAFRN
COc1cc([C@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC	ZINC000011682059	291207528	/nfs/dbraw/zinc/20/75/28/291207528.db2.gz	YJGVMLPVUAXIQN-RHMWYWNKSA-N	0	0	414.410	2.409	1	0	biogenic,in-vitro	HEAFRN
O=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCc2ccccc2C1	ZINC000004076076	132270829	/nfs/dbraw/zinc/27/08/29/132270829.db2.gz	AHKMRVDZKDJEKZ-UHFFFAOYSA-N	0	0	407.518	2.115	3	0		HEAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O	ZINC000006403501	560205586	/nfs/dbraw/zinc/20/55/86/560205586.db2.gz	YVCVYCSAAZQOJI-VEFTVXKRSA-N	0	0	400.383	2.106	3	0	in-vitro	HEAFRN
COc1ccc2c(c1)CCN1C(=O)[C@@H]3CCC[C@H]([C@H]21)N3S(=O)(=O)N1CCCCC1	ZINC000034232216	581100174	/nfs/dbraw/zinc/10/01/74/581100174.db2.gz	PLIXCWFJAQYYCJ-AABGKKOBSA-N	0	0	419.547	2.088	1	0		HEAFRN
CC(=O)OC[C@]1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]23CO[C@@H](O)[C@@]31C)[C@@H](C)C4=O	ZINC000095910581	291203019	/nfs/dbraw/zinc/20/30/19/291203019.db2.gz	HSDZAZXJYFDPOV-RDCQODQTSA-N	0	0	420.502	2.238	1	0	biogenic,in-vitro	HEAFRN
Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O	ZINC000014680833	571718858	/nfs/dbraw/zinc/71/88/58/571718858.db2.gz	XAJFXYLALLZDAD-KNVZDSEASA-N	0	0	420.502	2.108	1	0	endogenous,in-man	HEAFRN
O=C(NCCN1CCOCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	ZINC000028569542	581101389	/nfs/dbraw/zinc/10/13/89/581101389.db2.gz	AKXAUEKOTGWTIF-UHFFFAOYSA-N	0	0	418.497	2.115	1	0		HEAFRN
CC(=O)O[C@@H]1C(=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@@]3(C)OC(=O)C[C@@H]([C@H]1C)[C@@]23C	ZINC000070450852	291203157	/nfs/dbraw/zinc/20/31/57/291203157.db2.gz	DZLOCFUAYHTQEF-GNPBMHQCSA-N	0	0	420.502	2.077	1	0	biogenic,in-vitro	HEAFRN
CCOC[C@]1(O)C[C@@]23C(=C1C(=O)[O-])C[C@@H](CC[C@H]2C)[C@]31CC=CN(C(=[NH2+])NC)C1	ZINC000103524882	291204626	/nfs/dbraw/zinc/20/46/26/291204626.db2.gz	GQAWVUBRZJLPRB-ZGNIOFJSSA-N	0	0	403.523	2.335	1	0	biogenic,in-vitro	HEAFRN
COc1cc(C[C@@H](CO)[C@@H](CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O	ZINC000014616719	291206916	/nfs/dbraw/zinc/20/69/16/291206916.db2.gz	XTRARZPRFYUCGZ-IYBDPMFKSA-N	0	0	422.474	2.134	1	0	biogenic,in-vitro	HEAFRN
O=c1c2c(cc3oc(CO)cc(O)c1-3)O[C@@](CO)(C/C=C/c1ccccc1)[C@H](O)C2	ZINC000085593570	291213662	/nfs/dbraw/zinc/21/36/62/291213662.db2.gz	SRIBZZUJAFWVFS-NCTPOAFISA-N	0	0	410.422	2.121	1	0	biogenic,in-vitro	HEAFRN
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000004057100	132270461	/nfs/dbraw/zinc/27/04/61/132270461.db2.gz	MJPYLTDWDGPCEF-VZJWBNGJSA-N	0	0	413.905	2.186	1	0		HEAFRN
O=C(CCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000004192370	132272657	/nfs/dbraw/zinc/27/26/57/132272657.db2.gz	APGRBDOWDOVVDE-LPTDTENNSA-N	0	0	411.477	2.062	1	0		HEAFRN
C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(O)c-3c2=O)OC1(C)C	ZINC000085595326	291202093	/nfs/dbraw/zinc/20/20/93/291202093.db2.gz	OYZUQFKMKLWDEQ-OHMHXEGESA-N	0	0	417.458	2.172	1	0	biogenic,in-vitro	HEAFRN
CN(C)C(=O)c1cc2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2n1C	ZINC000072322802	524020835	/nfs/dbraw/zinc/02/08/35/524020835.db2.gz	GESUCRXSJNOHAK-UHFFFAOYSA-N	0	0	405.502	2.233	2	0		HEAFRN
Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)NC[C@@H]3CCCO3)c2n1	ZINC000020579548	526117114	/nfs/dbraw/zinc/11/71/14/526117114.db2.gz	JKTMWUFWZVMVNN-KRWDZBQOSA-N	0	0	405.454	2.231	1	0		HEAFRN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1	ZINC000013488048	581093913	/nfs/dbraw/zinc/09/39/13/581093913.db2.gz	FQFUEKXENRORAN-UHFFFAOYSA-N	0	0	416.485	2.399	1	0		HEAFRN
COc1cc(O)c([C@H]2Oc3cc(OC)c(OC)c(OC)c3C(=O)[C@@H]2OC)cc1O	ZINC000069482246	291206931	/nfs/dbraw/zinc/20/69/31/291206931.db2.gz	FUVIJIQGEQKKHY-XLIONFOSSA-N	0	0	406.387	2.464	1	0	biogenic,in-vitro	HEAFRN
O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000004192395	132272675	/nfs/dbraw/zinc/27/26/75/132272675.db2.gz	HMWNJOLXMFNPBE-LPTDTENNSA-N	0	0	411.477	2.062	1	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681075	571719319	/nfs/dbraw/zinc/71/93/19/571719319.db2.gz	ABFOJGYAILKEJB-YUXJCULASA-N	0	0	418.486	2.172	1	0	endogenous,in-man	HEAFRN
Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@H]2CC(C)(C)[C@@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681028	574413594	/nfs/dbraw/zinc/41/35/94/574413594.db2.gz	OEBGQVIRXPDBGY-SGUVSZDBSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
COc1cc(/C=C\C(=O)OC[C@H](O)COC(=O)/C=C/c2ccc(O)cc2)ccc1O	ZINC000095909531	291206763	/nfs/dbraw/zinc/20/67/63/291206763.db2.gz	GRWHNBXHXKFRHQ-KBGWOAQJSA-N	0	0	414.410	2.280	1	0	biogenic,in-vitro	HEAFRN
COc1c2c(ccc1C(=O)[C@@H]1CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO)OCO2	ZINC000035968210	291206818	/nfs/dbraw/zinc/20/68/18/291206818.db2.gz	HRDPOIAEGBHOIR-IQUTYRLHSA-N	0	0	400.383	2.332	1	0	biogenic,in-vitro	HEAFRN
CCOC(=O)c1cn(C)c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c1=O	ZINC000001488510	132247010	/nfs/dbraw/zinc/24/70/10/132247010.db2.gz	VREZPJZIWGZIEL-UHFFFAOYSA-N	0	0	407.474	2.019	1	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681027	574413604	/nfs/dbraw/zinc/41/36/04/574413604.db2.gz	OEBGQVIRXPDBGY-BYCGNBQDSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccco1	ZINC000013681377	581100028	/nfs/dbraw/zinc/10/00/28/581100028.db2.gz	GWHLEQPYAKBEOB-YRNRMSPPSA-N	0	0	424.453	2.369	1	0		HEAFRN
CC(=O)O[C@]1(C)C(=O)[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@H]23)[C@]12CC[C@@]1(C=COC1)O2	ZINC000095912789	291203279	/nfs/dbraw/zinc/20/32/79/291203279.db2.gz	NEDHMGGDODFBIE-ACBRPKSESA-N	0	0	404.459	2.461	1	0	biogenic,in-vitro	HEAFRN
CC1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O	ZINC000085593585	291203537	/nfs/dbraw/zinc/20/35/37/291203537.db2.gz	PGUDJUZHDACRHE-IEBWSBKVSA-N	0	0	400.383	2.066	1	0	biogenic,in-vitro	HEAFRN
CNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC)[C@@H]4CCC[C@H](CC1)[C@]342	ZINC000103524833	291205682	/nfs/dbraw/zinc/20/56/82/291205682.db2.gz	HBILWPJKXRVWAT-WXFLZSKCSA-N	0	0	415.534	2.335	1	0	biogenic,in-vitro	HEAFRN
Cc1ccc(N2CCN(C(=O)c3noc4ncnc(N5CCOCC5)c43)CC2)c(C)c1	ZINC000009687948	132342631	/nfs/dbraw/zinc/34/26/31/132342631.db2.gz	JKVFEMNTWIXGJS-UHFFFAOYSA-N	0	0	422.489	2.034	1	0		HEAFRN
COC(=O)c1ccccc1NC(=O)CN1c2cc(Cl)cnc2N2CCC[C@@H]2C1=O	ZINC000020465124	132470219	/nfs/dbraw/zinc/47/02/19/132470219.db2.gz	HQQWFUQUHBSMPQ-OAHLLOKOSA-N	0	0	414.849	2.476	3	0		HEAFRN
Cc1cc(CN2CCC[C@@H]2CN(C)c2cc(N)n3nc(-c4ccco4)nc3n2)no1	ZINC000028383976	581091494	/nfs/dbraw/zinc/09/14/94/581091494.db2.gz	UXBJITNUXNWZPA-OAHLLOKOSA-N	0	0	408.466	2.364	1	0		HEAFRN
COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccco1	ZINC000035849077	581099965	/nfs/dbraw/zinc/09/99/65/581099965.db2.gz	GWHLEQPYAKBEOB-GQIGUUNPSA-N	0	0	424.453	2.369	1	0		HEAFRN
COc1cc([C@H]2c3cc4c(c(O)c3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O	ZINC000013816216	291207499	/nfs/dbraw/zinc/20/74/99/291207499.db2.gz	JGGWNGRBXJWAOC-GPNNCHTKSA-N	0	0	400.383	2.321	1	0	biogenic,in-vitro	HEAFRN
O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCC[C@@H]1c1nccs1	ZINC000020537675	527432780	/nfs/dbraw/zinc/43/27/80/527432780.db2.gz	QWHCIOBPPGNIBN-QGZVFWFLSA-N	0	0	409.519	2.052	1	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681071	571719262	/nfs/dbraw/zinc/71/92/62/571719262.db2.gz	ABFOJGYAILKEJB-OECWEMKESA-N	0	0	418.486	2.172	1	0	endogenous,in-man	HEAFRN
COc1ccc2c(c1)CCN1C(=O)[C@@H]3CCC[C@H]([C@@H]21)N3S(=O)(=O)N1CCCCC1	ZINC000034232217	581100196	/nfs/dbraw/zinc/10/01/96/581100196.db2.gz	PLIXCWFJAQYYCJ-HSALFYBXSA-N	0	0	419.547	2.088	1	0		HEAFRN
COc1cc(/C=C/C(=O)OC[C@@H](O)[C@@H](OC)c2ccc(O)c(OC)c2)ccc1O	ZINC000015113050	291206757	/nfs/dbraw/zinc/20/67/57/291206757.db2.gz	IYGJNXKQEYRFJG-RHOTXWOOSA-N	0	0	404.415	2.420	1	0	biogenic,in-vitro	HEAFRN
COc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1	ZINC000013153775	558524281	/nfs/dbraw/zinc/52/42/81/558524281.db2.gz	OZKGIYOKWNOVAS-SBCNTATESA-N	0	0	411.454	2.253	1	0		HEAFRN
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)N1CCCCC1	ZINC000013681472	581100192	/nfs/dbraw/zinc/10/01/92/581100192.db2.gz	PLIXCWFJAQYYCJ-ZCNNSNEGSA-N	0	0	419.547	2.088	1	0		HEAFRN
CNC(=[NH2+])N1C=C[C@@H]2CC[C@@H]3[C@](O)(COC)C(C(=O)[O-])=C4C[C@H]5CC[C@@H](C)[C@]43[C@]52C1	ZINC000103524773	291205690	/nfs/dbraw/zinc/20/56/90/291205690.db2.gz	ZHWWPXGZCCUWQG-KQYWKGKDSA-N	0	0	415.534	2.191	1	0	biogenic,in-vitro	HEAFRN
NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1	ZINC000008589530	132330626	/nfs/dbraw/zinc/33/06/26/132330626.db2.gz	PCSWVKNNZFTLMQ-UHFFFAOYSA-N	0	0	419.450	2.377	1	0	aggregator	HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681004	571718883	/nfs/dbraw/zinc/71/88/83/571718883.db2.gz	SWVWDNGFQHDELB-GCTIBOKJSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@H]2CO)cc(OC)c1O	ZINC000013462104	291206925	/nfs/dbraw/zinc/20/69/25/291206925.db2.gz	AZTAGXIJLPKJOR-BJUCQYRTSA-N	0	0	404.415	2.297	1	0	biogenic,in-vitro	HEAFRN
Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)ccc(C)c1F	ZINC000028466396	581091246	/nfs/dbraw/zinc/09/12/46/581091246.db2.gz	BHQZGGSZRHDQFZ-UHFFFAOYSA-N	0	0	407.402	2.253	1	0		HEAFRN
Cc1cc(CN2CCCC[C@@H]2CN(C)c2nc3nc(-c4ccco4)nn3c(N)n2)no1	ZINC000013612441	581091488	/nfs/dbraw/zinc/09/14/88/581091488.db2.gz	BLMCWULLZFZSKV-OAHLLOKOSA-N	0	0	423.481	2.149	1	0		HEAFRN
COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccco1	ZINC000013681379	581099936	/nfs/dbraw/zinc/09/99/36/581099936.db2.gz	GWHLEQPYAKBEOB-RZQQEMMASA-N	0	0	424.453	2.369	1	0		HEAFRN
C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H]3[C@H](CO)C[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12	ZINC000013325687	291202276	/nfs/dbraw/zinc/20/22/76/291202276.db2.gz	APULREYYPMZXNJ-GKGWCFBGSA-N	0	0	404.459	2.100	1	0	biogenic	HEAFRN
C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC[NH2+]1	ZINC000026470224	132227297	/nfs/dbraw/zinc/22/72/97/132227297.db2.gz	BONOVMVFLNIRBP-NSHDSACASA-N	0	0	400.385	2.160	1	0		HEAFRN
Nc1c(F)c(N2C[C@H]3CCC[C@@H]2C[NH2+]3)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000009133372	132336282	/nfs/dbraw/zinc/33/62/82/132336282.db2.gz	WLLKZZRCODLHLO-MWLCHTKSSA-N	0	0	404.417	2.226	1	0		HEAFRN
CC(C)(C)n1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2cccnc21	ZINC000072323227	519150500	/nfs/dbraw/zinc/15/05/00/519150500.db2.gz	MJMFTBWZVJNTJR-UHFFFAOYSA-N	0	0	400.504	2.411	2	0		HEAFRN
Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)NC[C@H]3CCCO3)c2n1	ZINC000020579552	526116457	/nfs/dbraw/zinc/11/64/57/526116457.db2.gz	JKTMWUFWZVMVNN-QGZVFWFLSA-N	0	0	405.454	2.231	1	0		HEAFRN
COc1cc2c(c(OC)c1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H](CO)[C@H](CO)C2	ZINC000095910544	291207514	/nfs/dbraw/zinc/20/75/14/291207514.db2.gz	KXJNKVPSHWGEKB-YZVOILCLSA-N	0	0	402.443	2.346	1	0	biogenic,in-vitro	HEAFRN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1	ZINC000013488043	581093915	/nfs/dbraw/zinc/09/39/15/581093915.db2.gz	BDCJAGQAAOPKLF-UHFFFAOYSA-N	0	0	416.485	2.399	1	0		HEAFRN
C[C@@H](C(=O)NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3	ZINC000035087398	581096323	/nfs/dbraw/zinc/09/63/23/581096323.db2.gz	BPEXEDGEGUHCBA-BYOMNDQOSA-N	0	0	412.530	2.260	1	0		HEAFRN
C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(O)c-3c2=O)OC1(C)C	ZINC000085595324	291202086	/nfs/dbraw/zinc/20/20/86/291202086.db2.gz	MWIBBZYNXPVRKO-OHMHXEGESA-N	0	0	417.458	2.172	1	0	biogenic,in-vitro	HEAFRN
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C2=C[C@@H](O[C@@H]13)[C@H]1C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O	ZINC000095910353	291204241	/nfs/dbraw/zinc/20/42/41/291204241.db2.gz	PCBIPQCGIDTUOL-HBAPOPBVSA-N	0	0	419.562	2.063	1	0	biogenic,in-vitro	HEAFRN
O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1	ZINC000004238207	132273306	/nfs/dbraw/zinc/27/33/06/132273306.db2.gz	VLGZIOCSTOWUFA-MRXNPFEDSA-N	0	0	411.437	2.008	1	0		HEAFRN
Cn1cnc2c1c1cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc1oc2=O	ZINC000008594432	132330755	/nfs/dbraw/zinc/33/07/55/132330755.db2.gz	RLBBUTDULUHOJA-UHFFFAOYSA-N	0	0	424.482	2.191	1	0		HEAFRN
COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000169304560	560762974	/nfs/dbraw/zinc/76/29/74/560762974.db2.gz	OZKGIYOKWNOVAS-DJLVLGKWSA-N	0	0	411.454	2.253	1	0		HEAFRN
CC(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(C)cc1	ZINC000000644305	132229771	/nfs/dbraw/zinc/22/97/71/132229771.db2.gz	ZUVHHLNOPMIRIN-UHFFFAOYSA-N	0	0	404.474	2.497	3	0		HEAFRN
COc1cccc(-c2n[nH]c3c2CN(c2nccc(N4CCC[C@H](O)C4)n2)CC3)c1	ZINC000043102950	525719545	/nfs/dbraw/zinc/71/95/45/525719545.db2.gz	JMRLTHRVVUJBSP-INIZCTEOSA-N	0	0	406.490	2.399	1	0		HEAFRN
COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1	ZINC000013153776	558524322	/nfs/dbraw/zinc/52/43/22/558524322.db2.gz	OZKGIYOKWNOVAS-DOKOSKEHSA-N	0	0	411.454	2.253	1	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681000	571718658	/nfs/dbraw/zinc/71/86/58/571718658.db2.gz	SWVWDNGFQHDELB-UUFPFFJJSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
Cc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O	ZINC000014680829	571718768	/nfs/dbraw/zinc/71/87/68/571718768.db2.gz	XAJFXYLALLZDAD-BBROGYMFSA-N	0	0	420.502	2.108	1	0	endogenous,in-man	HEAFRN
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681073	571719194	/nfs/dbraw/zinc/71/91/94/571719194.db2.gz	ABFOJGYAILKEJB-XWPMNIEDSA-N	0	0	418.486	2.172	1	0	endogenous,in-man	HEAFRN
O=C(CCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000004192373	132272699	/nfs/dbraw/zinc/27/26/99/132272699.db2.gz	APGRBDOWDOVVDE-GQSCTRQFSA-N	0	0	411.477	2.062	1	0		HEAFRN
CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1cccs1	ZINC000004789959	132288752	/nfs/dbraw/zinc/28/87/52/132288752.db2.gz	ZANGHXQXNSPHAL-UHFFFAOYSA-N	0	0	413.952	2.371	3	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681030	574413587	/nfs/dbraw/zinc/41/35/87/574413587.db2.gz	OEBGQVIRXPDBGY-METLCYJQSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1	ZINC000013488046	581093149	/nfs/dbraw/zinc/09/31/49/581093149.db2.gz	XNRCIHFSXZHLHE-UHFFFAOYSA-N	0	0	416.485	2.399	1	0		HEAFRN
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000004192397	132272682	/nfs/dbraw/zinc/27/26/82/132272682.db2.gz	HMWNJOLXMFNPBE-GQSCTRQFSA-N	0	0	411.477	2.062	1	0		HEAFRN
COc1cc([C@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000001318602	568930690	/nfs/dbraw/zinc/93/06/90/568930690.db2.gz	YVCVYCSAAZQOJI-JNPHEJMOSA-N	0	0	400.383	2.106	1	0		HEAFRN
CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@H](O)C[C@]21C	ZINC000004546674	569255404	/nfs/dbraw/zinc/25/54/04/569255404.db2.gz	ALEXXDVDDISNDU-MCHRFJOXSA-N	0	0	404.503	2.352	1	0		HEAFRN
Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@H]2CC(C)(C)[C@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681032	574413585	/nfs/dbraw/zinc/41/35/85/574413585.db2.gz	OEBGQVIRXPDBGY-YTQCBVFWSA-N	0	0	418.486	2.028	1	0	endogenous,in-man	HEAFRN
C[C@H](C(=O)NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3	ZINC000035087400	581096273	/nfs/dbraw/zinc/09/62/73/581096273.db2.gz	BPEXEDGEGUHCBA-SATXIWLDSA-N	0	0	412.530	2.260	1	0		HEAFRN