smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12	ZINC000012884821	518661545	/nfs/dbraw/zinc/66/15/45/518661545.db2.gz	IUHODRMRSHJGHQ-IUSCBXDMSA-N	0	3	426.000	5.743	50	30	biogenic	IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F	ZINC000036306811	518712734	/nfs/dbraw/zinc/71/27/34/518712734.db2.gz	PCBKROQRGSNNCD-OAQYLSRUSA-N	0	3	437.559	5.558	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1	ZINC000036316186	518715367	/nfs/dbraw/zinc/71/53/67/518715367.db2.gz	PAOMXKQFIAJPAW-OAQYLSRUSA-N	0	3	435.543	5.310	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1	ZINC000036316042	518715956	/nfs/dbraw/zinc/71/59/56/518715956.db2.gz	NYPKPGBSVCGHKE-HSZRJFAPSA-N	0	3	431.580	5.479	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1	ZINC000036306581	518716093	/nfs/dbraw/zinc/71/60/93/518716093.db2.gz	GUZUNLQRNNRHDO-XMMPIXPASA-N	0	3	445.607	5.727	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C	ZINC000036346779	518716362	/nfs/dbraw/zinc/71/63/62/518716362.db2.gz	RZITUVPRJDDNCW-XMMPIXPASA-N	0	3	447.623	5.973	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1	ZINC000036306442	518716670	/nfs/dbraw/zinc/71/66/70/518716670.db2.gz	AGPUBHZNHGVJCU-HSZRJFAPSA-N	0	3	431.580	5.479	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C	ZINC000036308069	518717013	/nfs/dbraw/zinc/71/70/13/518717013.db2.gz	KDLZVUWTZHCMOD-HSZRJFAPSA-N	0	3	433.596	5.665	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1	ZINC000036316043	518723035	/nfs/dbraw/zinc/72/30/35/518723035.db2.gz	NYPKPGBSVCGHKE-QHCPKHFHSA-N	0	3	431.580	5.479	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C	ZINC000036307582	518723365	/nfs/dbraw/zinc/72/33/65/518723365.db2.gz	FQCXGBLXKWODMX-QFIPXVFZSA-N	0	3	437.559	5.556	50	30		IKEAHN
C=CCOc1cccc2c1cc(C(=O)NC1CCN(Cc3ccccc3)CC1)n2C/C=C\C	ZINC000035927728	519063663	/nfs/dbraw/zinc/06/36/63/519063663.db2.gz	QCSIRJPYFSARMI-HYXAFXHYSA-N	0	3	443.591	5.177	50	30		IKEAHN
C=C[C@@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC	ZINC000036308712	519299350	/nfs/dbraw/zinc/29/93/50/519299350.db2.gz	AHXBDSYSKYKTRT-AREMUKBSSA-N	0	3	435.568	5.131	50	30		IKEAHN
C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C	ZINC000036342159	519304084	/nfs/dbraw/zinc/30/40/84/519304084.db2.gz	JNFYSPMKDPEOPA-MHZLTWQESA-N	0	3	449.595	5.377	50	30		IKEAHN
C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1	ZINC000036308783	519305155	/nfs/dbraw/zinc/30/51/55/519305155.db2.gz	QJASSEXZISZCJS-MHZLTWQESA-N	0	3	447.579	5.131	50	30		IKEAHN
C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1	ZINC000036308829	519305241	/nfs/dbraw/zinc/30/52/41/519305241.db2.gz	KAGCFBDVDCENSY-SANMLTNESA-N	0	3	435.543	5.168	50	30		IKEAHN
COc1ccc(/C(C)=N/OC(=O)c2sc3ccccc3c2Cl)cc1CN1CCCC1	ZINC000013464483	523363439	/nfs/dbraw/zinc/36/34/39/523363439.db2.gz	ODEHZTJPWNKCIV-MFKUBSTISA-N	0	3	442.968	5.740	50	30		IKEAHN
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1ccc(C#CC(C)(C)O)cc1	ZINC000012205353	525033212	/nfs/dbraw/zinc/03/32/12/525033212.db2.gz	RVSHLBILZCVJDH-XMMPIXPASA-N	0	3	427.592	5.106	50	30		IKEAHN
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1ccc(C#CC(C)(C)O)s1	ZINC000012315238	525034524	/nfs/dbraw/zinc/03/45/24/525034524.db2.gz	JBAKUGSLNJEITG-JOCHJYFZSA-N	0	3	433.621	5.168	50	30		IKEAHN
C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2	ZINC000034671790	555793053	/nfs/dbraw/zinc/79/30/53/555793053.db2.gz	CUBSDPUTKIWKAF-RBISFHTESA-N	0	3	440.587	5.212	50	30		IKEAHN
CC(=O)Oc1ccc(-c2ccc(/C=N/CC34CC5(C)CC(C)(CC(C)(C5)C3)C4)cc2)cc1	ZINC000004750935	557076653	/nfs/dbraw/zinc/07/66/53/557076653.db2.gz	NBLYMHQBUHWIDW-VVEOGCPPSA-N	0	3	429.604	7.085	50	30		IKEAHN
CCCCCCCCSc1nc2cc(OC)c(OC)cc2c2nc(O)c(C(C)C)n21	ZINC000100925077	557202388	/nfs/dbraw/zinc/20/23/88/557202388.db2.gz	ZZYUFMXUSJRQFB-FQEVSTJZSA-N	0	3	431.602	5.412	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCCCCC1	ZINC000247840528	557330653	/nfs/dbraw/zinc/33/06/53/557330653.db2.gz	NRXSHTMQYCWAJB-BJTFNZNYSA-N	0	3	441.656	6.540	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102876707	557406486	/nfs/dbraw/zinc/40/64/86/557406486.db2.gz	MPXDNGCESKKRIU-SBXHHDGASA-N	0	3	448.607	5.056	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102876707	557406489	/nfs/dbraw/zinc/40/64/89/557406489.db2.gz	MPXDNGCESKKRIU-SBXHHDGASA-N	0	3	448.607	5.056	50	30		IKEAHN
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000058569269	563144677	/nfs/dbraw/zinc/14/46/77/563144677.db2.gz	VMOSPCSOWBEFCJ-HOFFSEQDSA-N	0	3	428.532	5.038	50	30	biogenic	IKEAHN
N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	ZINC000009995992	569151430	/nfs/dbraw/zinc/15/14/30/569151430.db2.gz	FMEZODLYUDSREZ-UHFFFAOYSA-N	0	3	441.600	5.245	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1	ZINC000002126686	569184053	/nfs/dbraw/zinc/18/40/53/569184053.db2.gz	NRXSHTMQYCWAJB-OEAWUUHTSA-N	0	3	441.656	6.540	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C	ZINC000252694461	569210870	/nfs/dbraw/zinc/21/08/70/569210870.db2.gz	KXDYHZVEOJTNPL-VUEAYEHGSA-N	0	3	441.656	6.539	50	30	biogenic	IKEAHN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCCN1CCCCCC1	ZINC000002262197	569215913	/nfs/dbraw/zinc/21/59/13/569215913.db2.gz	CZWHBCNOCSJMCV-UHFFFAOYSA-N	0	3	448.035	6.909	50	30		IKEAHN
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCN1CCCCC1	ZINC000253531153	569272979	/nfs/dbraw/zinc/27/29/79/569272979.db2.gz	LDRSZLORBJFCJZ-YQYFVZSGSA-N	0	3	427.629	5.306	50	30	biogenic	IKEAHN
O=C(/C=C/c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1	ZINC000263640054	569282435	/nfs/dbraw/zinc/28/24/35/569282435.db2.gz	VAXFYLAHNCUINE-XCVCLJGOSA-N	0	3	437.889	5.889	50	30		IKEAHN
COc1ccc([C@H](CNc2oc(Cc3cccc4ccccc43)nc2C#N)N(C)C)cc1	ZINC000027793553	569299419	/nfs/dbraw/zinc/29/94/19/569299419.db2.gz	AUZFPBOLFIOQJP-DEOSSOPVSA-N	0	3	426.520	5.014	50	30		IKEAHN
CN1CCc2nc(SCc3c(F)cccc3Cl)c(C#N)c(-c3cccs3)c2C1	ZINC000019597352	569322254	/nfs/dbraw/zinc/32/22/54/569322254.db2.gz	LJYGYWVNYOEVQN-UHFFFAOYSA-N	0	3	429.973	5.754	50	30		IKEAHN
Cc1ccc2ccccc2c1CN1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1	ZINC000020057934	569332845	/nfs/dbraw/zinc/33/28/45/569332845.db2.gz	DEWUEWPOGUAWQH-UHFFFAOYSA-N	0	3	445.570	5.451	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000020191484	569355645	/nfs/dbraw/zinc/35/56/45/569355645.db2.gz	MYOZFLRAXPPGAQ-DEOSSOPVSA-N	0	3	434.580	5.039	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000020191484	569355646	/nfs/dbraw/zinc/35/56/46/569355646.db2.gz	MYOZFLRAXPPGAQ-DEOSSOPVSA-N	0	3	434.580	5.039	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000020265514	569358612	/nfs/dbraw/zinc/35/86/12/569358612.db2.gz	SZBKTYJOIYIFHI-XMMPIXPASA-N	0	3	448.607	5.213	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000020265514	569358613	/nfs/dbraw/zinc/35/86/13/569358613.db2.gz	SZBKTYJOIYIFHI-XMMPIXPASA-N	0	3	448.607	5.213	50	30		IKEAHN
COc1ccc([C@@H](CNc2oc(-c3cccc4ccccc43)nc2C#N)N(C)C)cc1OC	ZINC000027991318	569405485	/nfs/dbraw/zinc/40/54/85/569405485.db2.gz	CWQXINFHQGWSLK-JOCHJYFZSA-N	0	3	442.519	5.098	50	30		IKEAHN
N#Cc1ccc(-c2ccc(OC[C@@H](O)CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1	ZINC000002947270	569426698	/nfs/dbraw/zinc/42/66/98/569426698.db2.gz	JBUASTNFAZMYPG-LJAQVGFWSA-N	0	3	448.566	5.667	50	30		IKEAHN
CCCCN(CCCC)CC(=O)C(C#N)c1nc(-c2ccc(Br)cc2)cs1	ZINC000003171405	569441183	/nfs/dbraw/zinc/44/11/83/569441183.db2.gz	ZUGIMUDIVDQNJJ-GOSISDBHSA-N	0	3	448.430	5.651	50	30		IKEAHN
CCCCN(CCCC)CC(=O)C(C#N)c1nc(-c2ccc(Br)cc2)cs1	ZINC000003171406	569441215	/nfs/dbraw/zinc/44/12/15/569441215.db2.gz	ZUGIMUDIVDQNJJ-SFHVURJKSA-N	0	3	448.430	5.651	50	30		IKEAHN
Cc1cc(C)c(NC(=NCCNCc2ccccc2)Nc2c(C)cc(C)cc2C)c(C)c1	ZINC000003428914	569450723	/nfs/dbraw/zinc/45/07/23/569450723.db2.gz	BXPCQMGPPJSJEJ-UHFFFAOYSA-N	0	3	428.624	6.016	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@H]12	ZINC000004023272	569458241	/nfs/dbraw/zinc/45/82/41/569458241.db2.gz	HSBSDJNJPQPKOI-QPCYKJICSA-N	0	3	429.604	6.003	50	30	biogenic	IKEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCC(C)CC1	ZINC000004028886	569458291	/nfs/dbraw/zinc/45/82/91/569458291.db2.gz	ZGHHYFNDDMTZKI-KCPWBINCSA-N	0	3	441.656	6.396	50	30	biogenic	IKEAHN
N#Cc1c(SCCN2CCCC2)nc2c(c1C(F)(F)F)C[C@H](c1ccccc1)CC2	ZINC000008451254	569465111	/nfs/dbraw/zinc/46/51/11/569465111.db2.gz	QSTXVEFOWKZXOU-QGZVFWFLSA-N	0	3	431.527	5.432	50	30		IKEAHN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)C(C#N)c2nc(C)cs2)cc1	ZINC000009468671	569538696	/nfs/dbraw/zinc/53/86/96/569538696.db2.gz	UNPLLBGUYFGDCX-SFHVURJKSA-N	0	3	448.573	5.158	50	30		IKEAHN
Cc1csc(C(C#N)C(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1	ZINC000009586627	569549741	/nfs/dbraw/zinc/54/97/41/569549741.db2.gz	CSMWJVWQNCSCSY-FQEVSTJZSA-N	0	3	444.585	5.581	50	30		IKEAHN
Cc1csc(C(C#N)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)n1	ZINC000009788901	569567980	/nfs/dbraw/zinc/56/79/80/569567980.db2.gz	HVUPMRPYHFXBLL-HNNXBMFYSA-N	0	3	436.587	5.400	50	30		IKEAHN
C=C(C)[C@@H]1CC=C(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1	ZINC000011666821	518641734	/nfs/dbraw/zinc/64/17/34/518641734.db2.gz	GJVCMSOXDPWGPO-HSZRJFAPSA-N	0	3	445.607	5.157	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C	ZINC000036346123	518715255	/nfs/dbraw/zinc/71/52/55/518715255.db2.gz	QQUAINFHKALOOD-RUZDIDTESA-N	0	3	447.623	6.067	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C	ZINC000036316234	518718363	/nfs/dbraw/zinc/71/83/63/518718363.db2.gz	CKCXJZBTVFJHET-XMMPIXPASA-N	0	3	447.623	6.012	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1	ZINC000036316328	518718920	/nfs/dbraw/zinc/71/89/20/518718920.db2.gz	WHNIARBJICOFNS-XMMPIXPASA-N	0	3	445.607	5.766	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1	ZINC000036316329	518725337	/nfs/dbraw/zinc/72/53/37/518725337.db2.gz	WHNIARBJICOFNS-DEOSSOPVSA-N	0	3	445.607	5.766	50	30		IKEAHN
CC(C)(C)c1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1	ZINC000035672482	519048613	/nfs/dbraw/zinc/04/86/13/519048613.db2.gz	KJYSNBRBXWHGOF-HSZRJFAPSA-N	0	3	429.568	5.545	50	30		IKEAHN
C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1	ZINC000036308831	519298314	/nfs/dbraw/zinc/29/83/14/519298314.db2.gz	KAGCFBDVDCENSY-AREMUKBSSA-N	0	3	435.543	5.168	50	30		IKEAHN
C=C[C@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1	ZINC000036308769	519304432	/nfs/dbraw/zinc/30/44/32/519304432.db2.gz	WSHKUHMMUVGEAG-VWLOTQADSA-N	0	3	439.987	5.775	50	30		IKEAHN
CCCCCCCCCCCCOc1ccc2[nH]c(SCCN3CCCCC3)nc2c1	ZINC000068588891	520011522	/nfs/dbraw/zinc/01/15/22/520011522.db2.gz	XRKKAQHAXBGZKO-UHFFFAOYSA-N	0	3	445.717	7.441	50	30		IKEAHN
COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4ccc(C#CC(C)(C)O)cc4)C3)ccc2c1	ZINC000012714408	525622538	/nfs/dbraw/zinc/62/25/38/525622538.db2.gz	YUHBXQQFTUPKPJ-SANMLTNESA-N	0	3	441.571	5.066	50	30		IKEAHN
Cc1ccc(C2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1	ZINC000012954679	525860940	/nfs/dbraw/zinc/86/09/40/525860940.db2.gz	XZEGGEUKVUWRCR-QFIPXVFZSA-N	0	3	430.960	6.190	50	30		IKEAHN
N#Cc1c(SCCN2CCCC2)nc2c(c1C(F)(F)F)C[C@@H](c1ccccc1)CC2	ZINC000004398844	556416254	/nfs/dbraw/zinc/41/62/54/556416254.db2.gz	QSTXVEFOWKZXOU-KRWDZBQOSA-N	0	3	431.527	5.432	50	30		IKEAHN
CCN(CC)Cc1c2c(c(C)c(C[NH+](CC)CC)c1[O-])C(=O)/C(=C/c1ccccc1F)O2	ZINC000011865258	556664372	/nfs/dbraw/zinc/66/43/72/556664372.db2.gz	LEKPJYJBXWIFAG-HMAPJEAMSA-N	0	3	440.559	5.140	50	30		IKEAHN
O=C1c2ccccc2C2=C1C(c1cc(Br)ccc1F)Sc1ccccc1N2	ZINC000018180988	556685883	/nfs/dbraw/zinc/68/58/83/556685883.db2.gz	QVMHTKLJLLFRFP-JOCHJYFZSA-N	0	3	438.321	6.455	50	30		IKEAHN
O=C1C(c2ccccc2)=C(c2ccccc2)[C@H]2c3cccc4cccc(c34)[C@@]12N1CCCC1	ZINC000019923685	556944250	/nfs/dbraw/zinc/94/42/50/556944250.db2.gz	LIFGSDXTAOHPPE-VEEOACQBSA-N	0	3	427.547	6.422	50	30		IKEAHN
Cc1cc(C)cc(NC(=NC(=O)c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)c1	ZINC000032946253	557030929	/nfs/dbraw/zinc/03/09/29/557030929.db2.gz	DBDGLSZLFWKYKN-UHFFFAOYSA-N	0	3	436.575	5.001	50	30		IKEAHN
CCCCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCc1ccc(OC)c(OC)c1	ZINC000102998246	557415068	/nfs/dbraw/zinc/41/50/68/557415068.db2.gz	YMONTXFJDHSGDQ-CWAQXLGLSA-N	0	3	444.660	5.499	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC	ZINC000105007527	557471739	/nfs/dbraw/zinc/47/17/39/557471739.db2.gz	VGRZRQZVQQUTOX-GGAORHGYSA-N	0	3	433.596	5.807	50	30		IKEAHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000004162390	562942363	/nfs/dbraw/zinc/94/23/63/562942363.db2.gz	VMOSPCSOWBEFCJ-LXFCCGDJSA-N	0	3	428.532	5.038	50	30	biogenic	IKEAHN
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000004162389	562942391	/nfs/dbraw/zinc/94/23/91/562942391.db2.gz	VMOSPCSOWBEFCJ-QRRBZYCPSA-N	0	3	428.532	5.038	50	30	biogenic	IKEAHN
Fc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861790	568848192	/nfs/dbraw/zinc/84/81/92/568848192.db2.gz	VVWRIFLZGXTUFT-LCQNATCMSA-N	0	3	441.660	6.509	50	30		IKEAHN
Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861789	568848246	/nfs/dbraw/zinc/84/82/46/568848246.db2.gz	VVWRIFLZGXTUFT-OSQOMCJFSA-N	0	3	441.660	6.509	50	30		IKEAHN
N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861782	568848273	/nfs/dbraw/zinc/84/82/73/568848273.db2.gz	SMXIDLKERQIBJL-HFNVWCFFSA-N	0	3	448.680	6.242	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C	ZINC000016040123	568868489	/nfs/dbraw/zinc/86/84/89/568868489.db2.gz	KXDYHZVEOJTNPL-MLESWTOWSA-N	0	3	441.656	6.539	50	30		IKEAHN
N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCN1CCCCCC1	ZINC000002188593	569190440	/nfs/dbraw/zinc/19/04/40/569190440.db2.gz	MLKZJHWELOJGQK-UHFFFAOYSA-N	0	3	437.609	6.456	50	30		IKEAHN
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000253502142	569283505	/nfs/dbraw/zinc/28/35/05/569283505.db2.gz	LCHQKKCWNVVBHJ-DPDKLNFFSA-N	0	3	441.656	5.552	50	30		IKEAHN
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCN1CCCCC1	ZINC000254402803	569322921	/nfs/dbraw/zinc/32/29/21/569322921.db2.gz	LDRSZLORBJFCJZ-CSBGOFLKSA-N	0	3	427.629	5.306	50	30		IKEAHN
CN1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c(-c3cccs3)c2C1	ZINC000019855876	569330361	/nfs/dbraw/zinc/33/03/61/569330361.db2.gz	UWKHUZDRQZNKFQ-UHFFFAOYSA-N	0	3	446.428	6.269	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000020191488	569355648	/nfs/dbraw/zinc/35/56/48/569355648.db2.gz	MYOZFLRAXPPGAQ-XMMPIXPASA-N	0	3	434.580	5.039	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000020191488	569355649	/nfs/dbraw/zinc/35/56/49/569355649.db2.gz	MYOZFLRAXPPGAQ-XMMPIXPASA-N	0	3	434.580	5.039	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNC1CCCCC1	ZINC000004029060	569458260	/nfs/dbraw/zinc/45/82/60/569458260.db2.gz	UOIHMGVGVVIAEA-VUTHXJGOSA-N	0	3	441.656	6.586	50	30	biogenic	IKEAHN
CN(C)CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N	ZINC000008451265	569465121	/nfs/dbraw/zinc/46/51/21/569465121.db2.gz	ZLLANXXCLSPWEY-UHFFFAOYSA-N	0	3	430.293	5.055	50	30		IKEAHN
Cc1ccc(C2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1	ZINC000008781565	569475630	/nfs/dbraw/zinc/47/56/30/569475630.db2.gz	GLSDWIARAGBKDB-QFIPXVFZSA-N	0	3	448.950	6.329	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)Cc4ccc(OC)cc4)[C@H]3C[C@@H]12	ZINC000012864668	518660374	/nfs/dbraw/zinc/66/03/74/518660374.db2.gz	ACEUHIHDDORUHP-JBMSBTKCSA-N	0	3	449.591	5.605	50	30	biogenic	IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccco4)Cc4ccc(OC)cc4)[C@H]3C[C@@H]12	ZINC000012864677	518660514	/nfs/dbraw/zinc/66/05/14/518660514.db2.gz	ACEUHIHDDORUHP-BZTMQRDQSA-N	0	3	449.591	5.605	50	30	biogenic	IKEAHN
C=CCC1(CC=C)CCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12	ZINC000012314520	518689458	/nfs/dbraw/zinc/68/94/58/518689458.db2.gz	JQLAYFLZPINBKO-UHFFFAOYSA-N	0	3	448.636	5.197	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1	ZINC000036306873	518715719	/nfs/dbraw/zinc/71/57/19/518715719.db2.gz	LEMXVRCCTOECDJ-JOCHJYFZSA-N	0	3	449.570	5.558	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306485	518722749	/nfs/dbraw/zinc/72/27/49/518722749.db2.gz	JTULQWLBDRVLHV-QHCPKHFHSA-N	0	3	433.596	5.727	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC1CC1	ZINC000036316085	518724147	/nfs/dbraw/zinc/72/41/47/518724147.db2.gz	BDQCZTXWFXITCJ-DEOSSOPVSA-N	0	3	445.607	5.727	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1	ZINC000036305552	518724162	/nfs/dbraw/zinc/72/41/62/518724162.db2.gz	HMZISNBDPKLXJD-QFIPXVFZSA-N	0	3	449.595	5.427	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036307197	518724241	/nfs/dbraw/zinc/72/42/41/518724241.db2.gz	JYCCCAFXZVECCW-QFIPXVFZSA-N	0	3	437.559	5.558	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1	ZINC000036307706	518724450	/nfs/dbraw/zinc/72/44/50/518724450.db2.gz	VHSWOMYBSSYUFI-QFIPXVFZSA-N	0	3	437.559	5.558	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1	ZINC000036306269	518724490	/nfs/dbraw/zinc/72/44/90/518724490.db2.gz	ZRLMXWCGYBMGSD-QFIPXVFZSA-N	0	3	449.595	5.427	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1	ZINC000036306876	518725593	/nfs/dbraw/zinc/72/55/93/518725593.db2.gz	LEMXVRCCTOECDJ-QFIPXVFZSA-N	0	3	449.570	5.558	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1	ZINC000036308670	518725668	/nfs/dbraw/zinc/72/56/68/518725668.db2.gz	PIVZHRCNHGKWGU-DEOSSOPVSA-N	0	3	431.580	5.512	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C	ZINC000036346124	518726656	/nfs/dbraw/zinc/72/66/56/518726656.db2.gz	QQUAINFHKALOOD-VWLOTQADSA-N	0	3	447.623	6.067	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1	ZINC000036307326	518726766	/nfs/dbraw/zinc/72/67/66/518726766.db2.gz	UNPKEQHJLQCOMQ-QHCPKHFHSA-N	0	3	449.570	5.558	50	30		IKEAHN
C=CCNCC1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1	ZINC000058983198	518951465	/nfs/dbraw/zinc/95/14/65/518951465.db2.gz	MDJBVFVYEGOGOG-UHFFFAOYSA-N	0	3	442.606	5.108	50	30		IKEAHN
C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1	ZINC000036308781	519298577	/nfs/dbraw/zinc/29/85/77/519298577.db2.gz	QJASSEXZISZCJS-HHHXNRCGSA-N	0	3	447.579	5.131	50	30		IKEAHN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)C2c1ccco1	ZINC000021722795	520265979	/nfs/dbraw/zinc/26/59/79/520265979.db2.gz	HGFWPISOQPDINR-XMMPIXPASA-N	0	3	448.544	5.285	50	30		IKEAHN
Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)C2c2ccco2)c1	ZINC000021356346	524190135	/nfs/dbraw/zinc/19/01/35/524190135.db2.gz	BVYIGKSZOMPRNC-RUZDIDTESA-N	0	3	448.544	5.266	50	30		IKEAHN
Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)C2c2ccco2)cc1C	ZINC000021722820	525561417	/nfs/dbraw/zinc/56/14/17/525561417.db2.gz	AGQWWMJHABFVAB-VWLOTQADSA-N	0	3	448.544	5.266	50	30		IKEAHN
O=C1C(c2ccccc2)=C(c2ccccc2)[C@H]2c3cccc4cccc(c34)[C@]12N1CCCC1	ZINC000068752382	526958993	/nfs/dbraw/zinc/95/89/93/526958993.db2.gz	LIFGSDXTAOHPPE-BVRKHOPBSA-N	0	3	427.547	6.422	50	30		IKEAHN
C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2	ZINC000034671849	555793409	/nfs/dbraw/zinc/79/34/09/555793409.db2.gz	KDWPIOPOLORVBC-RBISFHTESA-N	0	3	440.587	5.212	50	30		IKEAHN
Cc1ccc(NC(=NCCCN2CCOCC2)C(c2ccccc2)c2ccccc2)cc1	ZINC000004832309	556014326	/nfs/dbraw/zinc/01/43/26/556014326.db2.gz	JWGSDUHRYRZDJS-UHFFFAOYSA-N	0	3	427.592	5.169	50	30		IKEAHN
Cc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccncc1	ZINC000014009061	556354156	/nfs/dbraw/zinc/35/41/56/556354156.db2.gz	WRVPWMXNOSRJTO-WQRHYEAKSA-N	0	3	443.359	5.688	50	30		IKEAHN
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000000732509	557165768	/nfs/dbraw/zinc/16/57/68/557165768.db2.gz	VMOSPCSOWBEFCJ-XCUDUSTGSA-N	0	3	428.532	5.038	50	30	biogenic	IKEAHN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2	ZINC000105023115	557473071	/nfs/dbraw/zinc/47/30/71/557473071.db2.gz	CUBSDPUTKIWKAF-DFHRPNOPSA-N	0	3	440.587	5.212	50	30		IKEAHN
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000002114900	568742719	/nfs/dbraw/zinc/74/27/19/568742719.db2.gz	VMOSPCSOWBEFCJ-UOHDFPPJSA-N	0	3	428.532	5.038	50	30		IKEAHN
C=C(C)CN(CC)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccc(C)s1	ZINC000011786167	568820556	/nfs/dbraw/zinc/82/05/56/568820556.db2.gz	BNIJQZYMPXRMCX-UHFFFAOYSA-N	0	3	443.594	5.103	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCCC1	ZINC000001822785	568915606	/nfs/dbraw/zinc/91/56/06/568915606.db2.gz	NRXSHTMQYCWAJB-VUTHXJGOSA-N	0	3	441.656	6.540	50	30	biogenic	IKEAHN
C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC	ZINC000169678634	568989960	/nfs/dbraw/zinc/98/99/60/568989960.db2.gz	VFRIOPBPRQZDCK-XUZZJYLKSA-N	0	3	449.595	5.137	50	30		IKEAHN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC	ZINC000169678913	568990223	/nfs/dbraw/zinc/99/02/23/568990223.db2.gz	VIJBPICREKKJDO-JTHBVZDNSA-N	0	3	449.595	5.043	50	30		IKEAHN
CCCCCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CCC	ZINC000245246456	569269697	/nfs/dbraw/zinc/26/96/97/569269697.db2.gz	MEFGTSQMHVIFOC-CXXSABEWSA-N	0	3	435.696	7.996	50	30		IKEAHN
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000253502144	569283507	/nfs/dbraw/zinc/28/35/07/569283507.db2.gz	LCHQKKCWNVVBHJ-FPJYZCHOSA-N	0	3	441.656	5.552	50	30	biogenic	IKEAHN
CCOC(=O)c1ccc(CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000002410644	569300812	/nfs/dbraw/zinc/30/08/12/569300812.db2.gz	NCQDISQJHZPPLB-PSCYQSDVSA-N	0	3	430.529	5.242	50	30		IKEAHN
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCN1CCCCC1	ZINC000254402807	569322917	/nfs/dbraw/zinc/32/29/17/569322917.db2.gz	LDRSZLORBJFCJZ-KCKNQCKASA-N	0	3	427.629	5.306	50	30		IKEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020149625	569336323	/nfs/dbraw/zinc/33/63/23/569336323.db2.gz	NNBDHSAJFZCAHM-XMMPIXPASA-N	0	3	446.547	5.086	50	30		IKEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020149624	569336370	/nfs/dbraw/zinc/33/63/70/569336370.db2.gz	NNBDHSAJFZCAHM-DEOSSOPVSA-N	0	3	446.547	5.086	50	30		IKEAHN
CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)o2)CC1	ZINC000027991425	569405416	/nfs/dbraw/zinc/40/54/16/569405416.db2.gz	NQRWHOOLRLPDTO-HQOBLLPJSA-N	0	3	437.632	5.791	50	30		IKEAHN
CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3ccc(N(C)C)cc3)N(C)C)o2)CC1	ZINC000027991419	569405427	/nfs/dbraw/zinc/40/54/27/569405427.db2.gz	NQRWHOOLRLPDTO-NFDBJIOVSA-N	0	3	437.632	5.791	50	30		IKEAHN
Cc1cc(C)c(NC(=NCc2ccc3c(c2)OCO3)Nc2c(C)cc(C)cc2C)c(C)c1	ZINC000003179242	569441293	/nfs/dbraw/zinc/44/12/93/569441293.db2.gz	LHXGDLBUTSMWLZ-UHFFFAOYSA-N	0	3	429.564	6.155	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C	ZINC000004028960	569458232	/nfs/dbraw/zinc/45/82/32/569458232.db2.gz	KXDYHZVEOJTNPL-KPZDVAAVSA-N	0	3	441.656	6.539	50	30	biogenic	IKEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCC1	ZINC000004028949	569458243	/nfs/dbraw/zinc/45/82/43/569458243.db2.gz	FSLAVQGJZYEXIY-BJDRNOHOSA-N	0	3	427.629	6.150	50	30	biogenic	IKEAHN
N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCCCN1CCCCC1	ZINC000009355635	569525277	/nfs/dbraw/zinc/52/52/77/569525277.db2.gz	TWWQLKYIAKVWQV-UHFFFAOYSA-N	0	3	439.528	5.233	50	30		IKEAHN
C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)CC1	ZINC000012470265	518642024	/nfs/dbraw/zinc/64/20/24/518642024.db2.gz	RZIRHYIJPCTMCB-HSZRJFAPSA-N	0	3	448.611	5.230	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12	ZINC000012884827	518662089	/nfs/dbraw/zinc/66/20/89/518662089.db2.gz	IUHODRMRSHJGHQ-DHWOPMESSA-N	0	3	426.000	5.743	50	30	biogenic	IKEAHN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cc(OC)cc(OC)c2)CC(C)C)o1	ZINC000036203677	518696329	/nfs/dbraw/zinc/69/63/29/518696329.db2.gz	RIKIFCPAMGJANB-UHFFFAOYSA-N	0	3	441.612	6.075	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036342120	518714902	/nfs/dbraw/zinc/71/49/02/518714902.db2.gz	CSEMQFDYTRFVLU-XMMPIXPASA-N	0	3	449.570	5.651	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1	ZINC000036307623	518715054	/nfs/dbraw/zinc/71/50/54/518715054.db2.gz	LYRIZRDVHLADLC-JOCHJYFZSA-N	0	3	435.543	5.310	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F	ZINC000036306813	518723259	/nfs/dbraw/zinc/72/32/59/518723259.db2.gz	PCBKROQRGSNNCD-NRFANRHFSA-N	0	3	437.559	5.558	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036307793	518724402	/nfs/dbraw/zinc/72/44/02/518724402.db2.gz	PGUDAGBVZDGKMW-QHCPKHFHSA-N	0	3	449.570	5.558	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1	ZINC000036316187	518725837	/nfs/dbraw/zinc/72/58/37/518725837.db2.gz	PAOMXKQFIAJPAW-NRFANRHFSA-N	0	3	435.543	5.310	50	30		IKEAHN
C=CCn1c(SCC2CCCCC2)nnc1C1CC[NH+](Cc2ccccc2[O-])CC1	ZINC000012184814	519233555	/nfs/dbraw/zinc/23/35/55/519233555.db2.gz	PXWXHEHXRCMYRV-UHFFFAOYSA-N	0	3	426.630	5.222	50	30		IKEAHN
C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036308842	519298054	/nfs/dbraw/zinc/29/80/54/519298054.db2.gz	IENRWUXNOJAQAE-AREMUKBSSA-N	0	3	435.543	5.168	50	30		IKEAHN
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1ccc(C#CC(C)(C)O)s1	ZINC000012315237	525032769	/nfs/dbraw/zinc/03/27/69/525032769.db2.gz	JBAKUGSLNJEITG-QFIPXVFZSA-N	0	3	433.621	5.168	50	30		IKEAHN
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCN1CCCCC1	ZINC000252441230	525349080	/nfs/dbraw/zinc/34/90/80/525349080.db2.gz	LDRSZLORBJFCJZ-ZKESZXJYSA-N	0	3	427.629	5.306	50	30	biogenic	IKEAHN
O=C1c2ccccc2C2=C1C(c1ccc3c(c1)OCO3)N=C(SCc1cccc(F)c1)N2	ZINC000012961045	527132626	/nfs/dbraw/zinc/13/26/26/527132626.db2.gz	CCTSFIVBCFLRCI-JOCHJYFZSA-N	0	3	444.487	5.096	50	30		IKEAHN
O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@@]12N1CCCC1	ZINC000002184609	555754935	/nfs/dbraw/zinc/75/49/35/555754935.db2.gz	LIFGSDXTAOHPPE-SMCANUKXSA-N	0	3	427.547	6.422	50	30		IKEAHN
O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@]12N1CCCC1	ZINC000002184607	555754943	/nfs/dbraw/zinc/75/49/43/555754943.db2.gz	LIFGSDXTAOHPPE-IGYGKHONSA-N	0	3	427.547	6.422	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC1CCCCC1	ZINC000004427622	556512983	/nfs/dbraw/zinc/51/29/83/556512983.db2.gz	UOIHMGVGVVIAEA-FRRISVFZSA-N	0	3	441.656	6.586	50	30		IKEAHN
CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000097951400	556848623	/nfs/dbraw/zinc/84/86/23/556848623.db2.gz	ZJDBJMOIQDHCPR-FQEVSTJZSA-N	0	3	437.422	5.592	50	30		IKEAHN
CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2C(C)(C)N1	ZINC000017242858	557043721	/nfs/dbraw/zinc/04/37/21/557043721.db2.gz	IAWUSELXCPFPEL-UHFFFAOYSA-N	0	3	443.572	5.262	50	30		IKEAHN
CCCCCCCCSc1nc2cc(OC)c(OC)cc2c2nc(O)c(C(C)C)n21	ZINC000100925081	557202393	/nfs/dbraw/zinc/20/23/93/557202393.db2.gz	ZZYUFMXUSJRQFB-HXUWFJFHSA-N	0	3	431.602	5.412	50	30		IKEAHN
Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)c1	ZINC000004858140	557397914	/nfs/dbraw/zinc/39/79/14/557397914.db2.gz	KWEXZMBPEWLCEB-UHFFFAOYSA-N	0	3	425.598	5.229	50	30		IKEAHN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC	ZINC000105007342	557471785	/nfs/dbraw/zinc/47/17/85/557471785.db2.gz	VIJBPICREKKJDO-FYYLOGMGSA-N	0	3	449.595	5.043	50	30		IKEAHN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2	ZINC000105022722	557472993	/nfs/dbraw/zinc/47/29/93/557472993.db2.gz	KDWPIOPOLORVBC-DFHRPNOPSA-N	0	3	440.587	5.212	50	30		IKEAHN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2	ZINC000105023111	557473034	/nfs/dbraw/zinc/47/30/34/557473034.db2.gz	CUBSDPUTKIWKAF-SKCUWOTOSA-N	0	3	440.587	5.212	50	30		IKEAHN
C=CCN(CC=C)C[C@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1	ZINC000027522741	568863743	/nfs/dbraw/zinc/86/37/43/568863743.db2.gz	XMSDBDKDQTVVLE-SANMLTNESA-N	0	3	436.599	6.319	50	30		IKEAHN
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCN1CCCCC1	ZINC000252441229	569183653	/nfs/dbraw/zinc/18/36/53/569183653.db2.gz	LDRSZLORBJFCJZ-ANKXWIDRSA-N	0	3	427.629	5.306	50	30	biogenic	IKEAHN
COc1ccccc1-c1cc(-c2ccccc2)nc(SCCN2CCCCCC2)c1C#N	ZINC000002217452	569204128	/nfs/dbraw/zinc/20/41/28/569204128.db2.gz	RHNILBICAZCEPZ-UHFFFAOYSA-N	0	3	443.616	6.264	50	30		IKEAHN
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000253502153	569283551	/nfs/dbraw/zinc/28/35/51/569283551.db2.gz	LCHQKKCWNVVBHJ-QVAYHUNRSA-N	0	3	441.656	5.552	50	30		IKEAHN
CCC(CC)(NCc1cn(CCC#N)nc1-c1ccc(OC)cc1)c1ccc(Cl)cc1	ZINC000078823071	569319411	/nfs/dbraw/zinc/31/94/11/569319411.db2.gz	OKYLVHVVIJPULL-UHFFFAOYSA-N	0	3	436.987	5.931	50	30		IKEAHN
CCCc1cc(N2CCN(Cc3ccc(C)cc3C)CC2)n2c3ccccc3nc2c1C#N	ZINC000019808259	569329789	/nfs/dbraw/zinc/32/97/89/569329789.db2.gz	QLIXYGRIZXLVPZ-UHFFFAOYSA-N	0	3	437.591	5.251	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCC1	ZINC000004028950	569458245	/nfs/dbraw/zinc/45/82/45/569458245.db2.gz	FSLAVQGJZYEXIY-IGSOQLKZSA-N	0	3	427.629	6.150	50	30	biogenic	IKEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNC1CCCCC1	ZINC000004029059	569458257	/nfs/dbraw/zinc/45/82/57/569458257.db2.gz	UOIHMGVGVVIAEA-KCPWBINCSA-N	0	3	441.656	6.586	50	30	biogenic	IKEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCCCC1	ZINC000004028738	569458264	/nfs/dbraw/zinc/45/82/64/569458264.db2.gz	NRXSHTMQYCWAJB-KCPWBINCSA-N	0	3	441.656	6.540	50	30	biogenic	IKEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCC(C)CC1	ZINC000004028887	569458276	/nfs/dbraw/zinc/45/82/76/569458276.db2.gz	ZGHHYFNDDMTZKI-VUTHXJGOSA-N	0	3	441.656	6.396	50	30	biogenic	IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCCCCC1	ZINC000229831699	569461949	/nfs/dbraw/zinc/46/19/49/569461949.db2.gz	NRXSHTMQYCWAJB-CJLVWDJLSA-N	0	3	441.656	6.540	50	30		IKEAHN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)C(C#N)c2nc(C)cs2)cc1	ZINC000009468670	569538685	/nfs/dbraw/zinc/53/86/85/569538685.db2.gz	UNPLLBGUYFGDCX-GOSISDBHSA-N	0	3	448.573	5.158	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@H]12	ZINC000012652864	518660622	/nfs/dbraw/zinc/66/06/22/518660622.db2.gz	HSBSDJNJPQPKOI-GEMOAIMLSA-N	0	3	429.604	6.003	50	30	biogenic	IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@@H]12	ZINC000059415244	518660837	/nfs/dbraw/zinc/66/08/37/518660837.db2.gz	YQZIRLKEPCVJRH-UOIREZJNSA-N	0	3	443.031	5.085	50	30	biogenic	IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC	ZINC000036305901	518712584	/nfs/dbraw/zinc/71/25/84/518712584.db2.gz	KZILNBPWUIAVBO-JOCHJYFZSA-N	0	3	449.595	5.427	50	30		IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036307195	518713098	/nfs/dbraw/zinc/71/30/98/518713098.db2.gz	JYCCCAFXZVECCW-JOCHJYFZSA-N	0	3	437.559	5.558	50	30		IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306482	518713951	/nfs/dbraw/zinc/71/39/51/518713951.db2.gz	JTULQWLBDRVLHV-HSZRJFAPSA-N	0	3	433.596	5.727	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1	ZINC000036304914	518715172	/nfs/dbraw/zinc/71/51/72/518715172.db2.gz	QAWSYARYCAZGPD-RUZDIDTESA-N	0	3	445.607	5.821	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC	ZINC000036316218	518715612	/nfs/dbraw/zinc/71/56/12/518715612.db2.gz	VGRZRQZVQQUTOX-FYYLOGMGSA-N	0	3	433.596	5.807	50	30		IKEAHN
C=CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC	ZINC000036305903	518722613	/nfs/dbraw/zinc/72/26/13/518722613.db2.gz	KZILNBPWUIAVBO-QFIPXVFZSA-N	0	3	449.595	5.427	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1	ZINC000036346430	518725575	/nfs/dbraw/zinc/72/55/75/518725575.db2.gz	XQJYAKQRUAOBBO-DEOSSOPVSA-N	0	3	449.570	5.651	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C	ZINC000036316235	518726220	/nfs/dbraw/zinc/72/62/20/518726220.db2.gz	CKCXJZBTVFJHET-DEOSSOPVSA-N	0	3	447.623	6.012	50	30		IKEAHN
COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000095455158	522278724	/nfs/dbraw/zinc/27/87/24/522278724.db2.gz	NOCCVRZBADLXHL-CQSZACIVSA-N	0	3	446.315	5.149	50	30		IKEAHN
Cc1ccc(C2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1	ZINC000012954668	526043411	/nfs/dbraw/zinc/04/34/11/526043411.db2.gz	GLSDWIARAGBKDB-JOCHJYFZSA-N	0	3	448.950	6.329	50	30		IKEAHN
CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O	ZINC000097952065	557230532	/nfs/dbraw/zinc/23/05/32/557230532.db2.gz	ZKBHILFELSRYMU-QFIPXVFZSA-N	0	3	430.589	5.006	50	30		IKEAHN
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCN3CCCCC3)n2)cc1	ZINC000000862953	557836320	/nfs/dbraw/zinc/83/63/20/557836320.db2.gz	YVNVBCGUQRGVON-UHFFFAOYSA-N	0	3	429.589	5.874	50	30		IKEAHN
N#CC(C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1	ZINC000084583264	568799047	/nfs/dbraw/zinc/79/90/47/568799047.db2.gz	NYBCDIGZGKTETQ-CQSZACIVSA-N	0	3	433.265	5.003	50	30		IKEAHN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccsc2)CC1	ZINC000014988905	568827631	/nfs/dbraw/zinc/82/76/31/568827631.db2.gz	SAKPQJMFPITOTP-UHFFFAOYSA-N	0	3	445.057	5.851	50	30		IKEAHN
C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)CC1	ZINC000020137354	568855693	/nfs/dbraw/zinc/85/56/93/568855693.db2.gz	CIMJNCGZYWLORS-OAQYLSRUSA-N	0	3	434.584	5.084	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC	ZINC000169678922	568990293	/nfs/dbraw/zinc/99/02/93/568990293.db2.gz	VGRZRQZVQQUTOX-GMAHTHKFSA-N	0	3	433.596	5.807	50	30		IKEAHN
COc1ccc([C@@H](CNc2oc(Cc3cccc4ccccc43)nc2C#N)N(C)C)cc1	ZINC000027793550	569299387	/nfs/dbraw/zinc/29/93/87/569299387.db2.gz	AUZFPBOLFIOQJP-XMMPIXPASA-N	0	3	426.520	5.014	50	30		IKEAHN
CCN(CC)c1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019805798	569329827	/nfs/dbraw/zinc/32/98/27/569329827.db2.gz	NFRJDAXAKZIQAJ-BYNJWEBRSA-N	0	3	426.608	5.274	50	30	in-vitro	IKEAHN
CN1CCc2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)c(-c3cccs3)c2C1	ZINC000019855874	569330391	/nfs/dbraw/zinc/33/03/91/569330391.db2.gz	RZHGTLXCJADWAF-UHFFFAOYSA-N	0	3	433.646	6.259	50	30		IKEAHN
COc1ccc([C@@H](CNc2oc(-c3cccc4ccccc43)nc2C#N)N2CCCC2)cc1	ZINC000027991986	569405434	/nfs/dbraw/zinc/40/54/34/569405434.db2.gz	FFPMYJGPRCROPJ-RUZDIDTESA-N	0	3	438.531	5.624	50	30		IKEAHN
COc1ccc([C@H](CNc2oc(-c3cccc4ccccc43)nc2C#N)N(C)C)cc1OC	ZINC000027991323	569405438	/nfs/dbraw/zinc/40/54/38/569405438.db2.gz	CWQXINFHQGWSLK-QFIPXVFZSA-N	0	3	442.519	5.098	50	30		IKEAHN
COc1ccc([C@H](CNc2oc(-c3cccc4ccccc43)nc2C#N)N2CCCC2)cc1	ZINC000027991992	569405493	/nfs/dbraw/zinc/40/54/93/569405493.db2.gz	FFPMYJGPRCROPJ-VWLOTQADSA-N	0	3	438.531	5.624	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C	ZINC000004028961	569458274	/nfs/dbraw/zinc/45/82/74/569458274.db2.gz	KXDYHZVEOJTNPL-HFDPPSNWSA-N	0	3	441.656	6.539	50	30	biogenic	IKEAHN
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCC(C)CC1	ZINC000004311474	569461968	/nfs/dbraw/zinc/46/19/68/569461968.db2.gz	ZGHHYFNDDMTZKI-LPWJOBEDSA-N	0	3	441.656	6.396	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCC1	ZINC000009301798	569520776	/nfs/dbraw/zinc/52/07/76/569520776.db2.gz	FSLAVQGJZYEXIY-SVPNHEPISA-N	0	3	427.629	6.150	50	30		IKEAHN
COc1ccc2c(c1)nc(SCC(=O)C(C#N)c1nc(C)cs1)cc2-c1ccccc1	ZINC000009465039	569537873	/nfs/dbraw/zinc/53/78/73/569537873.db2.gz	NYKLDOIUVRAZKW-HXUWFJFHSA-N	0	3	445.569	5.644	50	30		IKEAHN
CC1(C)Cc2c(C#N)c([N-]C(=O)c3sc4ccccc4c3Cl)sc2C(C)(C)[NH2+]1	ZINC000009639934	569555243	/nfs/dbraw/zinc/55/52/43/569555243.db2.gz	GHZXOCIIGGLLQE-UHFFFAOYSA-N	0	3	429.998	5.900	50	30		IKEAHN
C=C(C)[C@@H]1CC=C(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)CC1	ZINC000012586774	518643352	/nfs/dbraw/zinc/64/33/52/518643352.db2.gz	CIXVZYOFCZIULW-JOCHJYFZSA-N	0	3	438.612	5.077	50	30		IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1	ZINC000036307702	518712134	/nfs/dbraw/zinc/71/21/34/518712134.db2.gz	VHSWOMYBSSYUFI-JOCHJYFZSA-N	0	3	437.559	5.558	50	30		IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1	ZINC000036305549	518712989	/nfs/dbraw/zinc/71/29/89/518712989.db2.gz	HMZISNBDPKLXJD-JOCHJYFZSA-N	0	3	449.595	5.427	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C	ZINC000036306398	518714922	/nfs/dbraw/zinc/71/49/22/518714922.db2.gz	SJNVBXUYOABITK-HSZRJFAPSA-N	0	3	433.596	5.725	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1	ZINC000036308667	518716015	/nfs/dbraw/zinc/71/60/15/518716015.db2.gz	PIVZHRCNHGKWGU-XMMPIXPASA-N	0	3	431.580	5.512	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1	ZINC000036307323	518716334	/nfs/dbraw/zinc/71/63/34/518716334.db2.gz	UNPKEQHJLQCOMQ-HSZRJFAPSA-N	0	3	449.570	5.558	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1	ZINC000036346093	518719166	/nfs/dbraw/zinc/71/91/66/518719166.db2.gz	TXDUALMVRYRHGF-HSZRJFAPSA-N	0	3	449.570	5.651	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C	ZINC000036346780	518722641	/nfs/dbraw/zinc/72/26/41/518722641.db2.gz	RZITUVPRJDDNCW-DEOSSOPVSA-N	0	3	447.623	5.973	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C	ZINC000036306400	518723912	/nfs/dbraw/zinc/72/39/12/518723912.db2.gz	SJNVBXUYOABITK-QHCPKHFHSA-N	0	3	433.596	5.725	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1	ZINC000036346094	518725499	/nfs/dbraw/zinc/72/54/99/518725499.db2.gz	TXDUALMVRYRHGF-QHCPKHFHSA-N	0	3	449.570	5.651	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036342121	518726204	/nfs/dbraw/zinc/72/62/04/518726204.db2.gz	CSEMQFDYTRFVLU-DEOSSOPVSA-N	0	3	449.570	5.651	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1	ZINC000036306444	518726563	/nfs/dbraw/zinc/72/65/63/518726563.db2.gz	AGPUBHZNHGVJCU-QHCPKHFHSA-N	0	3	431.580	5.479	50	30		IKEAHN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC	ZINC000036316222	518985828	/nfs/dbraw/zinc/98/58/28/518985828.db2.gz	VIJBPICREKKJDO-GGAORHGYSA-N	0	3	449.595	5.043	50	30		IKEAHN
CC(C)(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1	ZINC000035672485	519050169	/nfs/dbraw/zinc/05/01/69/519050169.db2.gz	KJYSNBRBXWHGOF-QHCPKHFHSA-N	0	3	429.568	5.545	50	30		IKEAHN
C=C[C@@](C)(O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1	ZINC000036346831	519298211	/nfs/dbraw/zinc/29/82/11/519298211.db2.gz	IYZFTIUBGSOPEM-MUUNZHRXSA-N	0	3	445.607	5.684	50	30		IKEAHN
C=C[C@@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1	ZINC000036308820	519298236	/nfs/dbraw/zinc/29/82/36/519298236.db2.gz	ODKIGSVAUXXIJA-AREMUKBSSA-N	0	3	435.543	5.168	50	30		IKEAHN
CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1	ZINC000035844679	519791268	/nfs/dbraw/zinc/79/12/68/519791268.db2.gz	SNMPSQJFZMZZTG-HXUWFJFHSA-N	0	3	439.525	6.474	50	30		IKEAHN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)C2c1ccco1	ZINC000021722797	520266205	/nfs/dbraw/zinc/26/62/05/520266205.db2.gz	HGFWPISOQPDINR-DEOSSOPVSA-N	0	3	448.544	5.285	50	30		IKEAHN
CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)C2c2ccco2)cc1	ZINC000021722831	524013449	/nfs/dbraw/zinc/01/34/49/524013449.db2.gz	IAXIKTUSNGNIFA-RUZDIDTESA-N	0	3	448.544	5.211	50	30		IKEAHN
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1ccc(C#CC(C)(C)O)cc1	ZINC000012205344	525033895	/nfs/dbraw/zinc/03/38/95/525033895.db2.gz	RVSHLBILZCVJDH-DEOSSOPVSA-N	0	3	427.592	5.106	50	30		IKEAHN
COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4ccc(C#CC(C)(C)O)cc4)C3)ccc2c1	ZINC000012714404	525622660	/nfs/dbraw/zinc/62/26/60/525622660.db2.gz	YUHBXQQFTUPKPJ-AREMUKBSSA-N	0	3	441.571	5.066	50	30		IKEAHN
O=C1c2ccccc2C2=C1C(c1ccc3c(c1)OCO3)N=C(SCc1cccc(F)c1)N2	ZINC000012961042	527133429	/nfs/dbraw/zinc/13/34/29/527133429.db2.gz	CCTSFIVBCFLRCI-QFIPXVFZSA-N	0	3	444.487	5.096	50	30		IKEAHN
C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2	ZINC000034671847	555793438	/nfs/dbraw/zinc/79/34/38/555793438.db2.gz	KDWPIOPOLORVBC-DWACAAAGSA-N	0	3	440.587	5.212	50	30		IKEAHN
Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N\c2c(C)cc(C)cc2C)cc1	ZINC000033435818	557398331	/nfs/dbraw/zinc/39/83/31/557398331.db2.gz	MHQBTGSCKXEFFD-MMZFVREHSA-N	0	3	443.635	6.412	50	30		IKEAHN
C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC	ZINC000105002348	557470362	/nfs/dbraw/zinc/47/03/62/557470362.db2.gz	VFRIOPBPRQZDCK-ZJSXRUAMSA-N	0	3	449.595	5.137	50	30		IKEAHN
N#Cc1ccccc1-c1ccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	ZINC000014855865	557492907	/nfs/dbraw/zinc/49/29/07/557492907.db2.gz	YKFHAJCHJAZYRV-UHFFFAOYSA-N	0	3	436.481	5.351	50	30		IKEAHN
Cc1cccc(C(=O)N=C(Nc2cc(C)cc(C)c2)N2CCN(C3CCCCC3)CC2)c1	ZINC000015729053	568813334	/nfs/dbraw/zinc/81/33/34/568813334.db2.gz	BMXLRJHAFIGISB-UHFFFAOYSA-N	0	3	432.612	5.170	50	30		IKEAHN
CCCCCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CCC	ZINC000227287744	568885785	/nfs/dbraw/zinc/88/57/85/568885785.db2.gz	MEFGTSQMHVIFOC-AZTRSOTFSA-N	0	3	435.696	7.996	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC[C@H]1C	ZINC000253487483	569282924	/nfs/dbraw/zinc/28/29/24/569282924.db2.gz	KXDYHZVEOJTNPL-ARUYSXKESA-N	0	3	441.656	6.539	50	30		IKEAHN
CN1CCc2nc(SCc3c(Cl)cccc3Cl)c(C#N)c(-c3cccs3)c2C1	ZINC000020057823	569332908	/nfs/dbraw/zinc/33/29/08/569332908.db2.gz	ZONWQYUZLBXZRG-UHFFFAOYSA-N	0	3	446.428	6.269	50	30		IKEAHN
Cc1cccc(C)c1NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2	ZINC000020230577	569357056	/nfs/dbraw/zinc/35/70/56/569357056.db2.gz	IJDSMWBDXLVXTQ-UHFFFAOYSA-N	0	3	448.617	5.017	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000020265511	569358620	/nfs/dbraw/zinc/35/86/20/569358620.db2.gz	SZBKTYJOIYIFHI-DEOSSOPVSA-N	0	3	448.607	5.213	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000020265511	569358621	/nfs/dbraw/zinc/35/86/21/569358621.db2.gz	SZBKTYJOIYIFHI-DEOSSOPVSA-N	0	3	448.607	5.213	50	30		IKEAHN
N#Cc1ccc(-c2ccc(OC[C@H](O)CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1	ZINC000002947271	569426667	/nfs/dbraw/zinc/42/66/67/569426667.db2.gz	JBUASTNFAZMYPG-GDLZYMKVSA-N	0	3	448.566	5.667	50	30		IKEAHN
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000058502071	569455619	/nfs/dbraw/zinc/45/56/19/569455619.db2.gz	VMOSPCSOWBEFCJ-HTASAFEOSA-N	0	3	428.532	5.038	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12	ZINC000004085629	569458804	/nfs/dbraw/zinc/45/88/04/569458804.db2.gz	IUHODRMRSHJGHQ-HROMDODWSA-N	0	3	426.000	5.743	50	30	biogenic	IKEAHN
CCN1CCN(c2ccc(/N=C/c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1	ZINC000009934840	569573762	/nfs/dbraw/zinc/57/37/62/569573762.db2.gz	GVUXKOSRDOJIEC-KOEQRZSOSA-N	0	3	438.369	5.602	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@@H]12	ZINC000012652861	518660388	/nfs/dbraw/zinc/66/03/88/518660388.db2.gz	HSBSDJNJPQPKOI-YDDKNALCSA-N	0	3	429.604	6.003	50	30	biogenic	IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@@H]12	ZINC000061997582	518661306	/nfs/dbraw/zinc/66/13/06/518661306.db2.gz	YQZIRLKEPCVJRH-GUDBEXGGSA-N	0	3	443.031	5.085	50	30	biogenic	IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C	ZINC000036307579	518716825	/nfs/dbraw/zinc/71/68/25/518716825.db2.gz	FQCXGBLXKWODMX-JOCHJYFZSA-N	0	3	437.559	5.556	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC	ZINC000036316219	518716904	/nfs/dbraw/zinc/71/69/04/518716904.db2.gz	VGRZRQZVQQUTOX-JTHBVZDNSA-N	0	3	433.596	5.807	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C1CC1	ZINC000036307625	518722655	/nfs/dbraw/zinc/72/26/55/518722655.db2.gz	LYRIZRDVHLADLC-QFIPXVFZSA-N	0	3	435.543	5.310	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1	ZINC000036306584	518725229	/nfs/dbraw/zinc/72/52/29/518725229.db2.gz	GUZUNLQRNNRHDO-DEOSSOPVSA-N	0	3	445.607	5.727	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1	ZINC000036304916	518725654	/nfs/dbraw/zinc/72/56/54/518725654.db2.gz	QAWSYARYCAZGPD-VWLOTQADSA-N	0	3	445.607	5.821	50	30		IKEAHN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC	ZINC000036316223	518985603	/nfs/dbraw/zinc/98/56/03/518985603.db2.gz	VIJBPICREKKJDO-GMAHTHKFSA-N	0	3	449.595	5.043	50	30		IKEAHN
C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC	ZINC000036308415	518988080	/nfs/dbraw/zinc/98/80/80/518988080.db2.gz	VFRIOPBPRQZDCK-URXFXBBRSA-N	0	3	449.595	5.137	50	30		IKEAHN
C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC	ZINC000036308411	518989874	/nfs/dbraw/zinc/98/98/74/518989874.db2.gz	VFRIOPBPRQZDCK-QPPBQGQZSA-N	0	3	449.595	5.137	50	30		IKEAHN
C=C[C@@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1	ZINC000036308767	519298478	/nfs/dbraw/zinc/29/84/78/519298478.db2.gz	WSHKUHMMUVGEAG-RUZDIDTESA-N	0	3	439.987	5.775	50	30		IKEAHN
C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C	ZINC000036342158	519299469	/nfs/dbraw/zinc/29/94/69/519299469.db2.gz	JNFYSPMKDPEOPA-HHHXNRCGSA-N	0	3	449.595	5.377	50	30		IKEAHN
C=C[C@](C)(O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1	ZINC000036346832	519304919	/nfs/dbraw/zinc/30/49/19/519304919.db2.gz	IYZFTIUBGSOPEM-NDEPHWFRSA-N	0	3	445.607	5.684	50	30		IKEAHN
CCCCCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC	ZINC000101029640	520032147	/nfs/dbraw/zinc/03/21/47/520032147.db2.gz	MEFGTSQMHVIFOC-DSNAQWLUSA-N	0	3	435.696	7.996	50	30		IKEAHN
COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000095455159	522280344	/nfs/dbraw/zinc/28/03/44/522280344.db2.gz	NOCCVRZBADLXHL-AWEZNQCLSA-N	0	3	446.315	5.149	50	30		IKEAHN
CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)C2c2ccco2)cc1	ZINC000021722830	524013648	/nfs/dbraw/zinc/01/36/48/524013648.db2.gz	IAXIKTUSNGNIFA-VWLOTQADSA-N	0	3	448.544	5.211	50	30		IKEAHN
Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)C2c2ccco2)c1	ZINC000021356340	524190826	/nfs/dbraw/zinc/19/08/26/524190826.db2.gz	BVYIGKSZOMPRNC-VWLOTQADSA-N	0	3	448.544	5.266	50	30		IKEAHN
Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)C2c2ccco2)cc1C	ZINC000021722823	525561646	/nfs/dbraw/zinc/56/16/46/525561646.db2.gz	AGQWWMJHABFVAB-RUZDIDTESA-N	0	3	448.544	5.266	50	30		IKEAHN
Cc1ccc(C2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1	ZINC000012954673	526042316	/nfs/dbraw/zinc/04/23/16/526042316.db2.gz	XZEGGEUKVUWRCR-JOCHJYFZSA-N	0	3	430.960	6.190	50	30		IKEAHN
C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2	ZINC000034671788	555793175	/nfs/dbraw/zinc/79/31/75/555793175.db2.gz	CUBSDPUTKIWKAF-DWACAAAGSA-N	0	3	440.587	5.212	50	30		IKEAHN
Cc1cc(CSC(=N)Nc2ccccc2)c(C)cc1CSC(=N)Nc1ccccc1	ZINC000008626899	556193905	/nfs/dbraw/zinc/19/39/05/556193905.db2.gz	XHVRGMASWHIQOC-UHFFFAOYSA-N	0	3	434.634	6.063	50	30		IKEAHN
COCCNC(=O)c1ccc(OC2CCN(C/C(C)=C/c3ccccc3)CC2)c(Cl)c1	ZINC000014970822	556467162	/nfs/dbraw/zinc/46/71/62/556467162.db2.gz	VCCSYJWDYVAOPK-KNTRCKAVSA-N	0	3	442.987	5.238	50	30		IKEAHN
Cc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)N2CCN(C3CCCCC3)CC2)c1	ZINC000032946384	557030678	/nfs/dbraw/zinc/03/06/78/557030678.db2.gz	AYRZNXSZSNGGBD-UHFFFAOYSA-N	0	3	436.575	5.001	50	30		IKEAHN
CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000100161607	557338982	/nfs/dbraw/zinc/33/89/82/557338982.db2.gz	ZJDBJMOIQDHCPR-HXUWFJFHSA-N	0	3	437.422	5.592	50	30		IKEAHN
Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCC3)/C2=N\c2c(C)cc(C)cc2C)cc1	ZINC000033435819	557398235	/nfs/dbraw/zinc/39/82/35/557398235.db2.gz	MHQBTGSCKXEFFD-XWGMSIGLSA-N	0	3	443.635	6.412	50	30		IKEAHN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2	ZINC000105022716	557473066	/nfs/dbraw/zinc/47/30/66/557473066.db2.gz	KDWPIOPOLORVBC-SKCUWOTOSA-N	0	3	440.587	5.212	50	30		IKEAHN
CCCCN(C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccc(OCC)cc2)c2ccccc21	ZINC000008611841	562958737	/nfs/dbraw/zinc/95/87/37/562958737.db2.gz	CIDKBTYELUXBPC-HRNYAPDYSA-N	0	3	434.580	5.029	50	30		IKEAHN
CCCCN(C)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccc(OCC)cc2)c2ccccc21	ZINC000008611839	562958758	/nfs/dbraw/zinc/95/87/58/562958758.db2.gz	CIDKBTYELUXBPC-IGVGMEOHSA-N	0	3	434.580	5.029	50	30		IKEAHN
N#CC(C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1	ZINC000084583261	568798976	/nfs/dbraw/zinc/79/89/76/568798976.db2.gz	NYBCDIGZGKTETQ-AWEZNQCLSA-N	0	3	433.265	5.003	50	30		IKEAHN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2ccc(C)o2)CC1	ZINC000014879498	568827482	/nfs/dbraw/zinc/82/74/82/568827482.db2.gz	YXBNIFHOMRBKLN-UHFFFAOYSA-N	0	3	443.016	5.691	50	30		IKEAHN
CCCCCCCCCCCCCCSC(=N)CCCCCCCCCCCCC	ZINC000100989506	568843577	/nfs/dbraw/zinc/84/35/77/568843577.db2.gz	PISHCFDHKPDGDY-UHFFFAOYSA-N	0	3	439.838	11.099	50	30		IKEAHN
N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861781	568848153	/nfs/dbraw/zinc/84/81/53/568848153.db2.gz	SMXIDLKERQIBJL-YVAKIUAWSA-N	0	3	448.680	6.242	50	30		IKEAHN
N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861764	568848202	/nfs/dbraw/zinc/84/82/02/568848202.db2.gz	HYJDMDBZIMBCOQ-OSQOMCJFSA-N	0	3	434.653	5.852	50	30		IKEAHN
C=CCN(CC=C)C[C@@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1	ZINC000027522742	568863726	/nfs/dbraw/zinc/86/37/26/568863726.db2.gz	XMSDBDKDQTVVLE-AREMUKBSSA-N	0	3	436.599	6.319	50	30		IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCCC1	ZINC000016039917	568868472	/nfs/dbraw/zinc/86/84/72/568868472.db2.gz	NRXSHTMQYCWAJB-FRRISVFZSA-N	0	3	441.656	6.540	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCCC1	ZINC000006202538	568877787	/nfs/dbraw/zinc/87/77/87/568877787.db2.gz	FSLAVQGJZYEXIY-BMJBQGFASA-N	0	3	427.629	6.150	50	30		IKEAHN
COc1ccc(-c2cc(-c3ccccc3)nc(SCCN3CCCCC3)c2C#N)cc1	ZINC000002051503	568940419	/nfs/dbraw/zinc/94/04/19/568940419.db2.gz	AALPUGBDOCHWJB-UHFFFAOYSA-N	0	3	429.589	5.874	50	30		IKEAHN
CC1(C)Cc2c(C#N)c(/N=C/N(Cc3ccccc3)Cc3ccccc3)sc2C(C)(C)N1	ZINC000027522183	569253581	/nfs/dbraw/zinc/25/35/81/569253581.db2.gz	QEAORTCWKNTHGV-VUTHCHCSSA-N	0	3	442.632	6.141	50	30		IKEAHN
CCCCCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC	ZINC000245246459	569269728	/nfs/dbraw/zinc/26/97/28/569269728.db2.gz	MEFGTSQMHVIFOC-HHRNURRFSA-N	0	3	435.696	7.996	50	30		IKEAHN
O=C(/C=C/c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccccc1Cl	ZINC000263639669	569282414	/nfs/dbraw/zinc/28/24/14/569282414.db2.gz	CSZNFQDPPMOHAV-JXMROGBWSA-N	0	3	437.889	5.889	50	30		IKEAHN
CC(=O)Nc1cc(C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)cc(C(F)(F)F)c1	ZINC000328591961	569317083	/nfs/dbraw/zinc/31/70/83/569317083.db2.gz	IHUFIBKXWGUFSN-INIZCTEOSA-N	0	3	441.881	5.617	50	30		IKEAHN
CN(C)c1ccc([C@@H](CNc2oc(Cc3cccc4ccccc43)nc2C#N)N(C)C)cc1	ZINC000027991462	569405406	/nfs/dbraw/zinc/40/54/06/569405406.db2.gz	XQQGNBCSJMBTIH-RUZDIDTESA-N	0	3	439.563	5.071	50	30		IKEAHN
CN(C)c1ccc([C@H](CNc2oc(Cc3cccc4ccccc43)nc2C#N)N(C)C)cc1	ZINC000027991456	569405503	/nfs/dbraw/zinc/40/55/03/569405503.db2.gz	XQQGNBCSJMBTIH-VWLOTQADSA-N	0	3	439.563	5.071	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12	ZINC000004085632	569458783	/nfs/dbraw/zinc/45/87/83/569458783.db2.gz	IUHODRMRSHJGHQ-CFXNPWLASA-N	0	3	426.000	5.743	50	30	biogenic	IKEAHN
COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCCN2CCCCC2)c1C#N	ZINC000008445927	569464867	/nfs/dbraw/zinc/46/48/67/569464867.db2.gz	HFDOHDAGZNVBMN-UHFFFAOYSA-N	0	3	443.616	6.182	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000008980970	569494391	/nfs/dbraw/zinc/49/43/91/569494391.db2.gz	MPXDNGCESKKRIU-NXLSWJSLSA-N	0	3	448.607	5.056	50	30		IKEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000008980970	569494392	/nfs/dbraw/zinc/49/43/92/569494392.db2.gz	MPXDNGCESKKRIU-NXLSWJSLSA-N	0	3	448.607	5.056	50	30		IKEAHN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCCN1CCCCC1	ZINC000009086494	569500698	/nfs/dbraw/zinc/50/06/98/569500698.db2.gz	IFKNSFUJCMOPJZ-UHFFFAOYSA-N	0	3	434.008	6.519	50	30		IKEAHN
Cc1csc(C(C#N)C(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1	ZINC000009586622	569549748	/nfs/dbraw/zinc/54/97/48/569549748.db2.gz	CSMWJVWQNCSCSY-HXUWFJFHSA-N	0	3	444.585	5.581	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCCC[C@@H]1C	ZINC000012660275	518665889	/nfs/dbraw/zinc/66/58/89/518665889.db2.gz	KXDYHZVEOJTNPL-CVLVPHFFSA-N	0	3	441.656	6.539	50	30	biogenic	IKEAHN
C=CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1	ZINC000036306267	518713432	/nfs/dbraw/zinc/71/34/32/518713432.db2.gz	ZRLMXWCGYBMGSD-JOCHJYFZSA-N	0	3	449.595	5.427	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036307791	518715433	/nfs/dbraw/zinc/71/54/33/518715433.db2.gz	PGUDAGBVZDGKMW-HSZRJFAPSA-N	0	3	449.570	5.558	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1	ZINC000036346429	518715851	/nfs/dbraw/zinc/71/58/51/518715851.db2.gz	XQJYAKQRUAOBBO-XMMPIXPASA-N	0	3	449.570	5.651	50	30		IKEAHN
C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC1CC1	ZINC000036316084	518716974	/nfs/dbraw/zinc/71/69/74/518716974.db2.gz	BDQCZTXWFXITCJ-XMMPIXPASA-N	0	3	445.607	5.727	50	30		IKEAHN
C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C	ZINC000036308073	518726327	/nfs/dbraw/zinc/72/63/27/518726327.db2.gz	KDLZVUWTZHCMOD-QHCPKHFHSA-N	0	3	433.596	5.665	50	30		IKEAHN
C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCCC3)n2)cc1	ZINC000094992844	519006917	/nfs/dbraw/zinc/00/69/17/519006917.db2.gz	CWOVMPMEYWGSNV-UHFFFAOYSA-N	0	3	433.499	5.392	50	30		IKEAHN
C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1	ZINC000036308818	519304020	/nfs/dbraw/zinc/30/40/20/519304020.db2.gz	ODKIGSVAUXXIJA-SANMLTNESA-N	0	3	435.543	5.168	50	30		IKEAHN
C=C[C@](C)(O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC	ZINC000036308715	519304359	/nfs/dbraw/zinc/30/43/59/519304359.db2.gz	AHXBDSYSKYKTRT-SANMLTNESA-N	0	3	435.568	5.131	50	30		IKEAHN
C=C[C@](C)(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1	ZINC000036308841	519305407	/nfs/dbraw/zinc/30/54/07/519305407.db2.gz	IENRWUXNOJAQAE-SANMLTNESA-N	0	3	435.543	5.168	50	30		IKEAHN
CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1	ZINC000035844680	519812019	/nfs/dbraw/zinc/81/20/19/519812019.db2.gz	SNMPSQJFZMZZTG-FQEVSTJZSA-N	0	3	439.525	6.474	50	30		IKEAHN
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC1CCCCC1	ZINC000004427621	556512970	/nfs/dbraw/zinc/51/29/70/556512970.db2.gz	UOIHMGVGVVIAEA-LPWJOBEDSA-N	0	3	441.656	6.586	50	30		IKEAHN
CC1(C)Cc2c(C#N)c(NC(=O)CCCSCc3ccccc3)sc2C(C)(C)N1	ZINC000010618832	556656014	/nfs/dbraw/zinc/65/60/14/556656014.db2.gz	KDMRTELACHVCOU-UHFFFAOYSA-N	0	3	427.639	5.431	50	30		IKEAHN
O=C1c2ccccc2C2=C1C(c1cc(Br)ccc1F)Sc1ccccc1N2	ZINC000018180985	556685742	/nfs/dbraw/zinc/68/57/42/556685742.db2.gz	QVMHTKLJLLFRFP-QFIPXVFZSA-N	0	3	438.321	6.455	50	30		IKEAHN
C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000025783844	557226384	/nfs/dbraw/zinc/22/63/84/557226384.db2.gz	KFOSRSKYBBSDSK-WGPBWIAQSA-N	0	3	439.562	8.329	50	30		IKEAHN
CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O	ZINC000100982682	557280848	/nfs/dbraw/zinc/28/08/48/557280848.db2.gz	ZKBHILFELSRYMU-JOCHJYFZSA-N	0	3	430.589	5.006	50	30		IKEAHN
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCCC3)n2)cc1	ZINC000082087218	568735165	/nfs/dbraw/zinc/73/51/65/568735165.db2.gz	PZPACPLMPGQVLH-UHFFFAOYSA-N	0	3	435.515	5.616	50	30		IKEAHN
O=C1c2ccccc2C2=C1C(c1ccc3c(c1)OCO3)N=C(SCc1ccccc1F)N2	ZINC000001384528	568784242	/nfs/dbraw/zinc/78/42/42/568784242.db2.gz	IERBLXBUYYMVPN-JOCHJYFZSA-N	0	3	444.487	5.096	50	30		IKEAHN
O=C1c2ccccc2C2=C1C(c1ccc3c(c1)OCO3)N=C(SCc1ccccc1F)N2	ZINC000001384527	568784299	/nfs/dbraw/zinc/78/42/99/568784299.db2.gz	IERBLXBUYYMVPN-QFIPXVFZSA-N	0	3	444.487	5.096	50	30		IKEAHN
C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(C)cc2C)CC1	ZINC000020395239	568856005	/nfs/dbraw/zinc/85/60/05/568856005.db2.gz	GPMUKVSDBFALFB-UHFFFAOYSA-N	0	3	449.602	5.335	50	30		IKEAHN
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000253502148	569283592	/nfs/dbraw/zinc/28/35/92/569283592.db2.gz	LCHQKKCWNVVBHJ-LHYXRESWSA-N	0	3	441.656	5.552	50	30	biogenic	IKEAHN
CCOC(=O)c1ccc(CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000002410646	569300777	/nfs/dbraw/zinc/30/07/77/569300777.db2.gz	NCQDISQJHZPPLB-FPEJUQHSSA-N	0	3	430.529	5.242	50	30		IKEAHN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)c2ccc3ccccc3c2)c1C#N	ZINC000012984132	569305741	/nfs/dbraw/zinc/30/57/41/569305741.db2.gz	JNYNKROVIUZLNI-SFHVURJKSA-N	0	3	426.520	5.060	50	30		IKEAHN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)c2ccc3ccccc3c2)c1C#N	ZINC000012984130	569305744	/nfs/dbraw/zinc/30/57/44/569305744.db2.gz	JNYNKROVIUZLNI-GOSISDBHSA-N	0	3	426.520	5.060	50	30		IKEAHN
CC(=O)Nc1cc(C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)cc(C(F)(F)F)c1	ZINC000328591962	569317115	/nfs/dbraw/zinc/31/71/15/569317115.db2.gz	IHUFIBKXWGUFSN-MRXNPFEDSA-N	0	3	441.881	5.617	50	30		IKEAHN
Cc1cc(N2CCN(Cc3cccc4ccccc43)CC2)n2c3ccccc3nc2c1C#N	ZINC000019594236	569322250	/nfs/dbraw/zinc/32/22/50/569322250.db2.gz	MZQVEUAVOGIUJN-UHFFFAOYSA-N	0	3	431.543	5.143	50	30		IKEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C[C@@H]12	ZINC000004023271	569458248	/nfs/dbraw/zinc/45/82/48/569458248.db2.gz	HSBSDJNJPQPKOI-LJNCTHMASA-N	0	3	429.604	6.003	50	30	biogenic	IKEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCC(C)CC1	ZINC000004311475	569461970	/nfs/dbraw/zinc/46/19/70/569461970.db2.gz	ZGHHYFNDDMTZKI-FRRISVFZSA-N	0	3	441.656	6.396	50	30		IKEAHN
COc1ccc2c(c1)nc(SCC(=O)C(C#N)c1nc(C)cs1)cc2-c1ccccc1	ZINC000009465038	569537881	/nfs/dbraw/zinc/53/78/81/569537881.db2.gz	NYKLDOIUVRAZKW-FQEVSTJZSA-N	0	3	445.569	5.644	50	30		IKEAHN
Cc1csc(C(C#N)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)n1	ZINC000009788900	569568003	/nfs/dbraw/zinc/56/80/03/569568003.db2.gz	HVUPMRPYHFXBLL-OAHLLOKOSA-N	0	3	436.587	5.400	50	30		IKEAHN