smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1	ZINC000000026404	581100472	/nfs/dbraw/zinc/10/04/72/581100472.db2.gz	QZFNOBVDHSIXMR-UHFFFAOYSA-N	0	0	318.445	5.180	1	30		DKEFRN
N#Cc1cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)cs1	ZINC000000026405	581100540	/nfs/dbraw/zinc/10/05/40/581100540.db2.gz	CRDUPEZGPAEXIK-UHFFFAOYSA-N	0	0	324.474	5.242	1	30		DKEFRN
CCOC(=O)c1ccc(C#C/C=C/C2=C(C)CCCC2(C)C)cc1	ZINC000001532976	180871848	/nfs/dbraw/zinc/87/18/48/180871848.db2.gz	VIYNOKJCJMEDKW-YRNVUSSQSA-N	0	0	322.448	5.298	1	30		DKEFRN
C=CCC[C@]12CCCC(=O)[C@H]1Sc1ccc3ccccc3c12	ZINC000001622809	180880341	/nfs/dbraw/zinc/88/03/41/180880341.db2.gz	OOHNHCSMMCSWHD-WOJBJXKFSA-N	0	0	308.446	5.271	1	30		DKEFRN
C=CCC[C@]12CCCC(=O)[C@@H]1Sc1ccc3ccccc3c12	ZINC000001622811	180880219	/nfs/dbraw/zinc/88/02/19/180880219.db2.gz	OOHNHCSMMCSWHD-VQTJNVASSA-N	0	0	308.446	5.271	1	30		DKEFRN
C=CCC[C@@]12CCCC(=O)[C@@H]1Sc1ccc3ccccc3c12	ZINC000001622812	180880181	/nfs/dbraw/zinc/88/01/81/180880181.db2.gz	OOHNHCSMMCSWHD-PMACEKPBSA-N	0	0	308.446	5.271	1	30		DKEFRN
N#Cc1c(/C=C/c2ccccc2)c2c([nH]c1=S)CCCCC2	ZINC000001649945	180884059	/nfs/dbraw/zinc/88/40/59/180884059.db2.gz	KPIJMHCLRRBLDD-VAWYXSNFSA-N	0	0	306.434	5.055	1	30		DKEFRN
C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)c1ccc(O)c(O)c1	ZINC000001653303	574411365	/nfs/dbraw/zinc/41/13/65/574411365.db2.gz	ZBZZDHDWRSFLAY-KDHISYJLSA-N	0	0	314.469	6.014	1	30	endogenous,in-man	DKEFRN
C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)c1ccc(O)c(O)c1	ZINC000001653305	574411367	/nfs/dbraw/zinc/41/13/67/574411367.db2.gz	ZBZZDHDWRSFLAY-RKPWUKJMSA-N	0	0	314.469	6.014	1	30	endogenous,in-man	DKEFRN
O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccccc1	ZINC000003126272	180983232	/nfs/dbraw/zinc/98/32/32/180983232.db2.gz	HLGKTNUAJOFUMY-SIWPHUPXSA-N	0	0	312.368	5.087	1	30		DKEFRN
CCSC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)(C)OC	ZINC000003652750	181044191	/nfs/dbraw/zinc/04/41/91/181044191.db2.gz	YGBMMMOLNODPBP-VQTLTRSMSA-N	0	0	312.519	5.390	1	30		DKEFRN
C#C[C@@H](O)/C=C/CCCCCCCCCC[C@H](C)CCCC	ZINC000003801491	181045756	/nfs/dbraw/zinc/04/57/56/181045756.db2.gz	SURKFLRAAGNOJW-WIHYEFMVSA-N	0	0	306.534	6.264	1	30		DKEFRN
C#C[C@@H](O)/C=C/CCCCCCCCCCCCCC(C)C	ZINC000003801494	181046159	/nfs/dbraw/zinc/04/61/59/181046159.db2.gz	WWRPDXSKUHAOGI-YJCBXQLOSA-N	0	0	306.534	6.264	1	30		DKEFRN
C=C[C@@]1(C)CCC=C2[C@H]1CC[C@@H]1[C@](C)(C(=O)OC)CCC[C@@]21C	ZINC000003819455	181047123	/nfs/dbraw/zinc/04/71/23/181047123.db2.gz	SAKKFOGROINQKM-DAEMFEISSA-N	0	0	316.485	5.295	1	30		DKEFRN
C=CC[C@@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3	ZINC000003831990	181047583	/nfs/dbraw/zinc/04/75/83/181047583.db2.gz	BQFHIOXHOTZDCT-IBGZPJMESA-N	0	0	317.432	5.971	1	30		DKEFRN
N#Cc1cccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)c1	ZINC000003832078	181047691	/nfs/dbraw/zinc/04/76/91/181047691.db2.gz	XSKGHLWBDSIWMP-UHFFFAOYSA-N	0	0	321.383	5.282	1	30		DKEFRN
N#Cc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1	ZINC000003832157	181047741	/nfs/dbraw/zinc/04/77/41/181047741.db2.gz	HIJHZQHIPSBZTR-UHFFFAOYSA-N	0	0	321.383	5.282	1	30		DKEFRN
Cc1sc(C#N)c(C)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2	ZINC000003832320	181047677	/nfs/dbraw/zinc/04/76/77/181047677.db2.gz	PPWIAXBZZBHOPE-UHFFFAOYSA-N	0	0	308.450	5.511	1	30		DKEFRN
C#C[C@@H](O)/C=C/CCCCCCCCCC[C@@H](C)CCCC	ZINC000003870940	181050598	/nfs/dbraw/zinc/05/05/98/181050598.db2.gz	SURKFLRAAGNOJW-NPXHEUDSSA-N	0	0	306.534	6.264	1	30		DKEFRN
C#C[C@H](O)/C=C/CCCCCCCCCCCCCC(C)C	ZINC000003870943	181051100	/nfs/dbraw/zinc/05/11/00/181051100.db2.gz	WWRPDXSKUHAOGI-UITZCYDRSA-N	0	0	306.534	6.264	1	30		DKEFRN
C=C(C)[C@@H]1CC=C(C)C[C@H]1c1c(O)cc(CCCCC)cc1O	ZINC000003871850	560190893	/nfs/dbraw/zinc/19/08/93/560190893.db2.gz	ZTGXAWYVTLUPDT-ZWKOTPCHSA-N	0	0	314.469	5.847	1	30	in-vitro	DKEFRN
Cc1ccccc1/N=C/C=C1/C=C(c2ccccc2)OC(C)(C)O1	ZINC000004853894	181163212	/nfs/dbraw/zinc/16/32/12/181163212.db2.gz	TYQDHNGCJZBVNG-VXYIRXSZSA-N	0	0	319.404	5.405	1	30		DKEFRN
Cc1cccc(C=NNc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000004920875	181173195	/nfs/dbraw/zinc/17/31/95/181173195.db2.gz	MNFABIGIBPFYNQ-AWQFTUOYSA-N	0	0	312.722	5.113	1	30		DKEFRN
CSc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1	ZINC000004921735	181173085	/nfs/dbraw/zinc/17/30/85/181173085.db2.gz	LWMWABHGCCAIDB-RQZCQDPDSA-N	0	0	311.237	5.161	1	30		DKEFRN
Clc1ccc(NN=Cc2cccc3ccccc23)cc1Cl	ZINC000004923716	181174021	/nfs/dbraw/zinc/17/40/21/181174021.db2.gz	DJDFPZCWMRHEDK-RGVLZGJSSA-N	0	0	315.203	5.593	1	30		DKEFRN
CC(C)(C)c1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1	ZINC000004928901	181174597	/nfs/dbraw/zinc/17/45/97/181174597.db2.gz	FGCGIAMNTFZZEL-RGVLZGJSSA-N	0	0	321.251	5.737	1	30		DKEFRN
Fc1ccc(NN=Cc2ccc(-c3ccccc3)cc2)c(F)c1	ZINC000005019334	181191861	/nfs/dbraw/zinc/19/18/61/181191861.db2.gz	GVAPYEFMSDWJGX-LPYMAVHISA-N	0	0	308.331	5.078	1	30		DKEFRN
CC1=C2CC/C(C)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1	ZINC000005132457	181208243	/nfs/dbraw/zinc/20/82/43/181208243.db2.gz	OQGXDKRHMBRZCS-FLNKEUCVSA-N	0	0	302.458	5.106	1	30		DKEFRN
C=C1CCCCCCCCCC[C@@H]1[S@@](=O)c1ccccc1	ZINC000005600843	181262486	/nfs/dbraw/zinc/26/24/86/181262486.db2.gz	LCRFMDDGVBFMGW-PZJWPPBQSA-N	0	0	304.499	5.634	1	30		DKEFRN
C=C1CCCCCCCCCC[C@@H]1[S@](=O)c1ccccc1	ZINC000005600844	181262258	/nfs/dbraw/zinc/26/22/58/181262258.db2.gz	LCRFMDDGVBFMGW-FPOVZHCZSA-N	0	0	304.499	5.634	1	30		DKEFRN
C=C1CCCCCCCCCC[C@H]1[S@@](=O)c1ccccc1	ZINC000005600848	181262191	/nfs/dbraw/zinc/26/21/91/181262191.db2.gz	LCRFMDDGVBFMGW-TZIWHRDSSA-N	0	0	304.499	5.634	1	30		DKEFRN
C=C1CCCCCCCCCC[C@H]1[S@](=O)c1ccccc1	ZINC000005600849	181262392	/nfs/dbraw/zinc/26/23/92/181262392.db2.gz	LCRFMDDGVBFMGW-CTNGQTDRSA-N	0	0	304.499	5.634	1	30		DKEFRN
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1cc(O)ccc1O	ZINC000005665458	181269438	/nfs/dbraw/zinc/26/94/38/181269438.db2.gz	CPXDKDFWEZFRKT-QFUCXCTJSA-N	0	0	314.469	5.439	1	30		DKEFRN
Fc1ccc(-c2csc(N=NC3CCCCCC3)n2)cc1	ZINC000005770106	181282398	/nfs/dbraw/zinc/28/23/98/181282398.db2.gz	NGYZSQNQKKMNLI-UHFFFAOYSA-N	0	0	303.406	5.071	1	30		DKEFRN
Clc1ccc(/C(=N/c2ccccc2)Nc2ccccc2)cc1	ZINC000005934362	181297936	/nfs/dbraw/zinc/29/79/36/181297936.db2.gz	KCNVREFIOJIJGN-UHFFFAOYSA-N	0	0	306.796	5.530	1	30		DKEFRN
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]1(C)O[C@@H]1CO	ZINC000005962583	560203948	/nfs/dbraw/zinc/20/39/48/560203948.db2.gz	DSWPRMYGLZQURA-UAFMIMERSA-N	0	0	312.538	5.575	1	30	biogenic,in-vitro	DKEFRN
CN(Cc1cccc2ccsc21)/N=C\c1ccc(Cl)cc1	ZINC000006018706	181306332	/nfs/dbraw/zinc/30/63/32/181306332.db2.gz	BEPNDRKIBJSCCI-ODLFYWEKSA-N	0	0	314.841	5.021	1	30		DKEFRN
Cc1cccc(/N=C/C=C(\Cl)c2ccc3ccccc3c2)c1	ZINC000006523069	181348436	/nfs/dbraw/zinc/34/84/36/181348436.db2.gz	AOUZJWQEHRJBDM-NGWRHAPDSA-N	0	0	305.808	6.130	1	30		DKEFRN
O=C1c2ccccc2C(=O)C(CCCC2CCCCC2)=C1Cl	ZINC000006582953	181357346	/nfs/dbraw/zinc/35/73/46/181357346.db2.gz	FOIBGOAKCXUQPC-UHFFFAOYSA-N	0	0	316.828	5.309	1	30		DKEFRN
O=C1c2ccc3ccccc3c2OCC/C1=C/c1ccc(F)cc1	ZINC000006584124	181356746	/nfs/dbraw/zinc/35/67/46/181356746.db2.gz	KHRCDZMUZADODR-SSZFMOIBSA-N	0	0	318.347	5.028	1	30		DKEFRN
COc1ccc(N=CC2Oc3ccc4ccccc4c3C2=O)cc1	ZINC000006646406	181364608	/nfs/dbraw/zinc/36/46/08/181364608.db2.gz	PNOFCMMJWIDROZ-MTJSOVHGSA-N	0	0	317.344	5.051	1	30		DKEFRN
C=C1CC[C@H]2[C@@H]3CCc4cc(O)c(OCC)cc4[C@H]3CC[C@]12C	ZINC000006716093	181376427	/nfs/dbraw/zinc/37/64/27/181376427.db2.gz	URFNCMFBCBQWDD-ONFYXGJMSA-N	0	0	312.453	5.203	1	30		DKEFRN
CC(=CCc1ccccc1)N=Nc1nc(-c2ccccc2)cs1	ZINC000008670220	519347262	/nfs/dbraw/zinc/34/72/62/519347262.db2.gz	IMFXLYJNUOEQPW-JTHDKOFASA-N	0	0	319.433	5.311	1	30		DKEFRN
Cc1ccc2c(c1)-c1ccccc1/C2=N\c1cccc2ccccc21	ZINC000012462699	181765321	/nfs/dbraw/zinc/76/53/21/181765321.db2.gz	TWADIVAHKFPUBO-OCOZRVBESA-N	0	0	319.407	6.298	1	30		DKEFRN
O=C(CCCCCCS)Nc1cccc(-c2ccccc2)c1	ZINC000013609365	581101917	/nfs/dbraw/zinc/10/19/17/581101917.db2.gz	VJSUVWGNKFMQET-UHFFFAOYSA-N	0	0	313.466	5.172	1	30	in-vivo	DKEFRN
CC(C)/C=C1\C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O	ZINC000013681694	181878261	/nfs/dbraw/zinc/87/82/61/181878261.db2.gz	PTANBYHUNIXKEU-HDLVZFDGSA-N	0	0	324.464	5.010	1	30		DKEFRN
CC(C)(C)c1cc(C(=O)/C=C/CC2CC2)cc2c1OCC2(C)C	ZINC000013779207	581095061	/nfs/dbraw/zinc/09/50/61/581095061.db2.gz	OYCUPESDNTUONE-SOFGYWHQSA-N	0	0	312.453	5.193	1	30		DKEFRN
COc1c2cc(C#N)ccn2c(-c2ccccc2)c1-c1ccccc1	ZINC000013859710	181907444	/nfs/dbraw/zinc/90/74/44/181907444.db2.gz	BDOYDXBKCMEGLZ-UHFFFAOYSA-N	0	0	324.383	5.154	1	30		DKEFRN
CCCCC/C=C/C/C=C/CCCCC/C=C/C(=O)/C=C/CO	ZINC000014454534	574413456	/nfs/dbraw/zinc/41/34/56/574413456.db2.gz	QQWDVOVXGKHITR-MORWAMEYSA-N	0	0	318.501	5.694	1	30	endogenous,in-man	DKEFRN
CCCCC/C=C/C/C=C/CCCCCCCC(=O)/C=C/CO	ZINC000014454535	571709349	/nfs/dbraw/zinc/70/93/49/571709349.db2.gz	HYSAQRFMZWHDTN-ZLMPDQHQSA-N	0	0	320.517	5.918	1	30	endogenous,in-man	DKEFRN
C=C[C@](C)(O)/C=C/C=C(\C)CCCC(C)=CC(=O)C=C(C)C	ZINC000014505695	181955890	/nfs/dbraw/zinc/95/58/90/181955890.db2.gz	CMEOBUBWMVWVIM-GADYQEPMSA-N	0	0	302.458	5.078	1	30		DKEFRN
C#C[C@H](O)CCCCCCCCCCCC[C@@H](C)CCCC	ZINC000014591172	181960522	/nfs/dbraw/zinc/96/05/22/181960522.db2.gz	HTNYAKWOWALLGI-SFTDATJTSA-N	0	0	308.550	6.488	1	30		DKEFRN
C#C[C@H](O)CCCCCCCCCCCCCCCC(C)C	ZINC000014591175	181960813	/nfs/dbraw/zinc/96/08/13/181960813.db2.gz	SRHQHYAGPLADAU-NRFANRHFSA-N	0	0	308.550	6.488	1	30		DKEFRN
CC1=C2CC/C(C)=C\CC[C@@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1	ZINC000014968450	181979791	/nfs/dbraw/zinc/97/97/91/181979791.db2.gz	OQGXDKRHMBRZCS-YAYCVWJWSA-N	0	0	302.458	5.106	1	30		DKEFRN
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1occc1C=O	ZINC000015167740	290939922	/nfs/dbraw/zinc/93/99/22/290939922.db2.gz	HSAMEKCOYURBIS-XKGZKEIXSA-N	0	0	300.442	5.433	1	30	biogenic,in-vitro	DKEFRN
CC1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)C1=CCc1ccoc1	ZINC000015168066	520840377	/nfs/dbraw/zinc/84/03/77/520840377.db2.gz	DGCSFZBBNZMTAQ-AZUAARDMSA-N	0	0	300.442	5.334	1	30	biogenic,in-vitro	DKEFRN
C/C(c1ccccc1)=C1/CCC/C(=C(/C)c2ccccc2)C1=O	ZINC000017720791	182085214	/nfs/dbraw/zinc/08/52/14/182085214.db2.gz	KSRIHQAATHFAEP-NWILIBCHSA-N	0	0	302.417	5.687	1	30		DKEFRN
Cc1ccc(C(=O)O/N=C2/CCCC/C2=C\c2ccccc2)cc1	ZINC000017971291	182088910	/nfs/dbraw/zinc/08/89/10/182088910.db2.gz	BUEMQTMFALJQGZ-ISQRORMUSA-N	0	0	319.404	5.165	1	30		DKEFRN
c1ccc(NN=C2C[C@H](c3ccccc3)Oc3ccccc32)cc1	ZINC000018102776	182093456	/nfs/dbraw/zinc/09/34/56/182093456.db2.gz	LYCGIKKLCIAWGJ-YVNGDZKUSA-N	0	0	314.388	5.027	1	30		DKEFRN
c1ccc(NN=C2C[C@@H](c3ccccc3)Oc3ccccc32)cc1	ZINC000018152639	182095072	/nfs/dbraw/zinc/09/50/72/182095072.db2.gz	LYCGIKKLCIAWGJ-VWXXCCROSA-N	0	0	314.388	5.027	1	30		DKEFRN
CCCCC/C=C\C/C=C\C=C\C=C\[C@H](O)CCC/C=N/O	ZINC000026579845	182447516	/nfs/dbraw/zinc/44/75/16/182447516.db2.gz	YJXFWWJYVYDIHW-OOQWANPTSA-N	0	0	305.462	5.173	1	30		DKEFRN
CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	ZINC000026579857	182447110	/nfs/dbraw/zinc/44/71/10/182447110.db2.gz	XFUAEWGHLXLENC-UHFFFAOYSA-N	0	0	304.524	5.589	1	30		DKEFRN
CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](O)CCC/C=N/OC	ZINC000026637275	182448069	/nfs/dbraw/zinc/44/80/69/182448069.db2.gz	CYSCOAIQBJMTIO-VVPHADLQSA-N	0	0	319.489	5.345	1	30		DKEFRN
CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](CCC/C=N/O)OC	ZINC000026638563	182448260	/nfs/dbraw/zinc/44/82/60/182448260.db2.gz	YQRMQDXFOKIJKA-IQHKBZIFSA-N	0	0	319.489	5.827	1	30		DKEFRN
C=C[C@]1(C)CCC=C2[C@H]1CC[C@@H]1[C@](C)(C(=O)OC)CCC[C@@]21C	ZINC000026952716	182459005	/nfs/dbraw/zinc/45/90/05/182459005.db2.gz	SAKKFOGROINQKM-DIFIXFHHSA-N	0	0	316.485	5.295	1	30		DKEFRN
CCOC(=O)c1ccccc1C#C/C=C/C1=C(C)CCCC1(C)C	ZINC000027564527	182479928	/nfs/dbraw/zinc/47/99/28/182479928.db2.gz	LJULAJLVQKCJQT-OQLLNIDSSA-N	0	0	322.448	5.298	1	30		DKEFRN
C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)OC)CCC[C@@]23C)C1	ZINC000027643384	182484829	/nfs/dbraw/zinc/48/48/29/182484829.db2.gz	ZDKRUBUMOILNFK-ZPMJSYDFSA-N	0	0	316.485	5.295	1	30		DKEFRN
CCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21	ZINC000027750778	182490311	/nfs/dbraw/zinc/49/03/11/182490311.db2.gz	XMHGCYFBOBAPIQ-ROUUACIJSA-N	0	0	324.464	5.349	1	30		DKEFRN
C[C@@H]1Nc2ccc(-c3csc(C#N)c3)cc2C2(CCCCC2)O1	ZINC000027870855	581097837	/nfs/dbraw/zinc/09/78/37/581097837.db2.gz	ORBICRUQXVLSEE-CYBMUJFWSA-N	0	0	324.449	5.234	1	30		DKEFRN
C[C@H]1Nc2ccc(-c3csc(C#N)c3)cc2C2(CCCCC2)O1	ZINC000027870860	581097776	/nfs/dbraw/zinc/09/77/76/581097776.db2.gz	ORBICRUQXVLSEE-ZDUSSCGKSA-N	0	0	324.449	5.234	1	30		DKEFRN
C(#CC1=CC[C@H](Nc2ccc3ccccc3c2)CC1)c1ccccn1	ZINC000028526592	182527153	/nfs/dbraw/zinc/52/71/53/182527153.db2.gz	GXNDHQVYOXLGFK-QFIPXVFZSA-N	0	0	324.427	5.177	1	30		DKEFRN
C(#CC1=CC[C@@H](Nc2ccc3ccccc3c2)CC1)c1ccccn1	ZINC000028526593	182527220	/nfs/dbraw/zinc/52/72/20/182527220.db2.gz	GXNDHQVYOXLGFK-JOCHJYFZSA-N	0	0	324.427	5.177	1	30		DKEFRN
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(CCCCC)cc1O	ZINC000028568118	182529248	/nfs/dbraw/zinc/52/92/48/182529248.db2.gz	CODIXLGYYWMJFS-SZMVWBNQSA-N	0	0	316.485	5.926	1	30		DKEFRN
N#Cc1sc2ccccc2c1-c1ccc(C(F)(F)F)cc1	ZINC000028816757	182540241	/nfs/dbraw/zinc/54/02/41/182540241.db2.gz	NLIBXJMLKUBJSL-UHFFFAOYSA-N	0	0	303.308	5.459	1	30		DKEFRN
N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F	ZINC000028825060	182540957	/nfs/dbraw/zinc/54/09/57/182540957.db2.gz	LVFYAAITUNIVMI-UHFFFAOYSA-N	0	0	315.216	5.263	1	30	in-vivo	DKEFRN
N#Cc1cc(F)cc(-c2ccc3[nH]c(=S)n(C4CCC4)c3c2)c1	ZINC000028868976	581100519	/nfs/dbraw/zinc/10/05/19/581100519.db2.gz	CUPMKQRSISGSTC-UHFFFAOYSA-N	0	0	323.396	5.102	1	30		DKEFRN
CC(=O)/C=C/[C@H](CC/C(C)=C/CC/C(C)=C/C(C)=O)C(C)C	ZINC000029042321	182548917	/nfs/dbraw/zinc/54/89/17/182548917.db2.gz	VEYPRHOYJNHVSJ-PDAXXUFBSA-N	0	0	304.474	5.446	1	30		DKEFRN
CCc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](CC#N)[C@@]3(C)CC[C@H]21	ZINC000029135815	182553512	/nfs/dbraw/zinc/55/35/12/182553512.db2.gz	SOVMHGDHBJDHCO-GNYGEYGVSA-N	0	0	323.480	5.341	1	30		DKEFRN
COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)CC(C)C	ZINC000029309863	182559272	/nfs/dbraw/zinc/55/92/72/182559272.db2.gz	XKQMDYONVYWFNX-VGWHMSCRSA-N	0	0	308.506	5.726	1	30		DKEFRN
C#CCSC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC	ZINC000029317082	182559843	/nfs/dbraw/zinc/55/98/43/182559843.db2.gz	VLVJSHKHRBLBLN-ODPYKUDVSA-N	0	0	322.514	5.003	1	30		DKEFRN
C=C[C@@H](C)OC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC	ZINC000029317349	182560035	/nfs/dbraw/zinc/56/00/35/182560035.db2.gz	YJODALGKMRIMFY-BCLJQKAOSA-N	0	0	322.489	5.228	1	30		DKEFRN
CCC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(O)c(C)c1C	ZINC000029336220	182561500	/nfs/dbraw/zinc/56/15/00/182561500.db2.gz	HRNSKLIDNAZYMX-PAAZSCCJSA-N	0	0	324.464	5.759	1	30		DKEFRN
C=CCc1cc([C@H](CC)[C@H](CC)c2ccc(O)cc2)ccc1O	ZINC000029397757	182564005	/nfs/dbraw/zinc/56/40/05/182564005.db2.gz	MGJNOMRQJMKNEV-UXHICEINSA-N	0	0	310.437	5.514	1	30		DKEFRN
C=C1CCC[C@H]2[C@@](C)(C/C=C(\CC=O)C(C)=O)[C@H](C)CC[C@]12C	ZINC000029398265	182563898	/nfs/dbraw/zinc/56/38/98/182563898.db2.gz	KHXANDYJGSZWSM-SQBVVWAFSA-N	0	0	316.485	5.280	1	30		DKEFRN
C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)OC	ZINC000033830288	290939270	/nfs/dbraw/zinc/93/92/70/290939270.db2.gz	WYJKGKPQXWDIQP-XFPKCUBTSA-N	0	0	316.485	5.461	1	30	biogenic,in-vitro	DKEFRN
C=C1C[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1	ZINC000034442514	290939919	/nfs/dbraw/zinc/93/99/19/290939919.db2.gz	UTIGHTZWXIGRIJ-HSSQDTPWSA-N	0	0	300.442	5.062	1	30	biogenic,in-vitro	DKEFRN
CC(=CC[C@@H]1C(C)=CCCC1(C)C)N=Nc1nc2ccccc2[nH]1	ZINC000034849392	519347099	/nfs/dbraw/zinc/34/70/99/519347099.db2.gz	ZHCIRJWDYUBSEP-XMNXXBGASA-N	0	0	322.456	5.289	1	30		DKEFRN
Cc1cc(C)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1	ZINC000035875574	182790177	/nfs/dbraw/zinc/79/01/77/182790177.db2.gz	XMMDWVWTOYZZAJ-UHFFFAOYSA-N	0	0	305.299	5.295	1	30	in-vivo	DKEFRN
CCCCCCCCCCCCSCC(=O)C(F)(F)F	ZINC000036079992	182796380	/nfs/dbraw/zinc/79/63/80/182796380.db2.gz	NACMLRDTSWENRZ-UHFFFAOYSA-N	0	0	312.441	5.772	1	30	in-vivo	DKEFRN
C(=C/c1ccnc2ccccc12)\c1ccc(/N=C/c2ccco2)cc1	ZINC000036382766	563455427	/nfs/dbraw/zinc/45/54/27/563455427.db2.gz	SCTXXXPAUCWSFV-USOSQLFRSA-N	0	0	324.383	5.749	1	30		DKEFRN
C=CCOC1=C(C)C(=O)S[C@]1(C)CCCCCCCCCC	ZINC000038141809	182994045	/nfs/dbraw/zinc/99/40/45/182994045.db2.gz	XNYOPDWPJFUYRV-LJQANCHMSA-N	0	0	324.530	6.026	1	30		DKEFRN
Cc1cccc(C#C[C@H](Sc2cccc(Cl)c2)C(C)C)n1	ZINC000038147824	182993435	/nfs/dbraw/zinc/99/34/35/182993435.db2.gz	TVDSOZVAHQCSKS-SFHVURJKSA-N	0	0	315.869	5.212	1	30		DKEFRN
C=C[C@@]1(C)CC[C@]2(C)[C@H]3CC(=O)C(=O)C(C)[C@@]3(C)CC[C@H]2C1	ZINC000038207512	290940630	/nfs/dbraw/zinc/94/06/30/290940630.db2.gz	GJYCSCFUJNJVHU-IHXHSXLNSA-N	0	0	302.458	5.206	1	30	biogenic,in-vitro	DKEFRN
C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC=O)O2	ZINC000038420239	290942645	/nfs/dbraw/zinc/94/26/45/290942645.db2.gz	OFWIOMYSQAMADB-HHUCQEJWSA-N	0	0	306.490	5.146	1	30	biogenic,in-vitro	DKEFRN
CC1C(=O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=Cc1ccoc1	ZINC000038539887	183001410	/nfs/dbraw/zinc/00/14/10/183001410.db2.gz	JPMIIVCZMUYZRA-MMZWZMGNSA-N	0	0	314.425	5.156	1	30	biogenic,in-vitro	DKEFRN
C[C@@H]1C[C@@H]2C[C@H](C)[C@H]3CC[C@](C)(C#N)[C@H]4CC[C@@H]([C@@H]2[C@H]34)[C@]1(C)C#N	ZINC000038782467	183009627	/nfs/dbraw/zinc/00/96/27/183009627.db2.gz	DGPOXKAQLWLGOB-OWDQLYIKSA-N	0	0	324.512	5.411	1	30		DKEFRN
C=Cc1c2cc(C#N)ccn2c(-c2ccccc2)c1-c1ccccc1	ZINC000039091644	183014227	/nfs/dbraw/zinc/01/42/27/183014227.db2.gz	YLMYDSDJOLJNOW-UHFFFAOYSA-N	0	0	320.395	5.788	1	30		DKEFRN
CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@H]2OC1	ZINC000039433926	183018579	/nfs/dbraw/zinc/01/85/79/183018579.db2.gz	OQGXDKRHMBRZCS-FYMBVOBGSA-N	0	0	302.458	5.106	1	30		DKEFRN
CC(C)c1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1	ZINC000040379334	183058002	/nfs/dbraw/zinc/05/80/02/183058002.db2.gz	MDDGXIGSJTWPHQ-UHFFFAOYSA-N	0	0	305.299	5.493	1	30		DKEFRN
CCn1c2ccccc2nc1-c1ccc(C#Cc2ccccc2)cc1	ZINC000040392417	183059956	/nfs/dbraw/zinc/05/99/56/183059956.db2.gz	YLZAFUMSVOQULE-UHFFFAOYSA-N	0	0	322.411	5.123	1	30		DKEFRN
Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1-c1ccccc1	ZINC000040401802	183061635	/nfs/dbraw/zinc/06/16/35/183061635.db2.gz	BVCPWHHJIAYYTM-UHFFFAOYSA-N	0	0	324.387	5.154	1	30		DKEFRN
N#Cc1ccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)cc1	ZINC000040403158	183061330	/nfs/dbraw/zinc/06/13/30/183061330.db2.gz	LLDZIODDQPLMGT-UHFFFAOYSA-N	0	0	321.811	5.343	1	30		DKEFRN
N#Cc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1	ZINC000040430068	183065624	/nfs/dbraw/zinc/06/56/24/183065624.db2.gz	LVDYKSOHCUGWHR-UHFFFAOYSA-N	0	0	320.395	5.364	1	30		DKEFRN
C=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C\C(=O)C[C@@]2(C)O[C@@H]2C1	ZINC000040430784	183065940	/nfs/dbraw/zinc/06/59/40/183065940.db2.gz	UCOLQSNNKIYDRU-YFRHNWSZSA-N	0	0	302.458	5.152	1	30		DKEFRN
CC(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	ZINC000040565088	183103088	/nfs/dbraw/zinc/10/30/88/183103088.db2.gz	VMMPHQXLJPXFFR-NRFANRHFSA-N	0	0	323.411	5.297	1	30		DKEFRN
CC(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	ZINC000040565090	183103289	/nfs/dbraw/zinc/10/32/89/183103289.db2.gz	VMMPHQXLJPXFFR-OAQYLSRUSA-N	0	0	323.411	5.297	1	30		DKEFRN
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NO	ZINC000040639622	183113510	/nfs/dbraw/zinc/11/35/10/183113510.db2.gz	TUOPJYNQVZOCIM-QNEBEIHSSA-N	0	0	321.505	5.862	1	30		DKEFRN
C=C[C@]1(C)C=C2CC[C@]3(C)[C@](C)(CCC[C@]3(C)O)[C@@]2(C)CC1	ZINC000040835727	183139994	/nfs/dbraw/zinc/13/99/94/183139994.db2.gz	SUEJYRZPHFMIGX-AFDCHOCNSA-N	0	0	302.502	5.647	1	30		DKEFRN
CC1=CCCC(C)(C)[C@@H]1CCC(=O)/C=C/c1ccc(Cl)cc1	ZINC000040836147	183139874	/nfs/dbraw/zinc/13/98/74/183139874.db2.gz	DNASNFACZSGUKI-UFUQCMIWSA-N	0	0	316.872	6.085	1	30		DKEFRN
CC1=CCCC(C)(C)[C@H]1CCC(=O)/C=C/c1ccc(Cl)cc1	ZINC000040836149	183140479	/nfs/dbraw/zinc/14/04/79/183140479.db2.gz	DNASNFACZSGUKI-BLRBJFNZSA-N	0	0	316.872	6.085	1	30		DKEFRN
C[C@@H]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)C1	ZINC000040859879	183142968	/nfs/dbraw/zinc/14/29/68/183142968.db2.gz	FDFJAFXMIJWFOL-IQRLKCEISA-N	0	0	305.834	5.051	1	30		DKEFRN
C[C@H]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)C1	ZINC000040859882	183143208	/nfs/dbraw/zinc/14/32/08/183143208.db2.gz	FDFJAFXMIJWFOL-ZPEMJIOOSA-N	0	0	305.834	5.051	1	30		DKEFRN
Cc1cc(C)c(Sc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1	ZINC000040872391	183145244	/nfs/dbraw/zinc/14/52/44/183145244.db2.gz	ZDVOQQIVWWNKSG-UHFFFAOYSA-N	0	0	321.367	5.654	1	30	in-vivo	DKEFRN
Cc1cccc(C)c1Sc1ccc(C#N)c(C(F)(F)F)c1	ZINC000040873241	183145294	/nfs/dbraw/zinc/14/52/94/183145294.db2.gz	DUJQNJKFOFJLPQ-UHFFFAOYSA-N	0	0	307.340	5.345	1	30		DKEFRN
CCCc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1	ZINC000040891992	183146463	/nfs/dbraw/zinc/14/64/63/183146463.db2.gz	JDWLYJIAXKLEJX-UHFFFAOYSA-N	0	0	305.299	5.322	1	30		DKEFRN
CCSc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1	ZINC000040893332	183146979	/nfs/dbraw/zinc/14/69/79/183146979.db2.gz	BEAKSVZSFNBSKW-UHFFFAOYSA-N	0	0	323.339	5.481	1	30		DKEFRN
C[C@@H]1CCCCC1N=Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000040957290	183151620	/nfs/dbraw/zinc/15/16/20/183151620.db2.gz	JBCSKFKLXZHIIW-NUSFMGPTSA-N	0	0	319.861	5.442	1	30		DKEFRN
C[C@H]1CCCCC1N=Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000040957292	183151500	/nfs/dbraw/zinc/15/15/00/183151500.db2.gz	JBCSKFKLXZHIIW-FXONDUCNSA-N	0	0	319.861	5.442	1	30		DKEFRN
C[C@@H]1CCCCC1N=Nc1nc(-c2ccc(F)cc2F)cs1	ZINC000040973137	183153465	/nfs/dbraw/zinc/15/34/65/183153465.db2.gz	GBSDYRSNVCORPF-AGYNKUJHSA-N	0	0	321.396	5.066	1	30		DKEFRN
C[C@H]1CCCCC1N=Nc1nc(-c2ccc(F)cc2F)cs1	ZINC000040973139	183153411	/nfs/dbraw/zinc/15/34/11/183153411.db2.gz	GBSDYRSNVCORPF-GODZOQJBSA-N	0	0	321.396	5.066	1	30		DKEFRN
C=C(CCC)[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1	ZINC000040974334	183153459	/nfs/dbraw/zinc/15/34/59/183153459.db2.gz	UHFBOGWLFDWLEZ-GOSISDBHSA-N	0	0	313.828	5.167	1	30		DKEFRN
C=C(C)[C@@H]1C[C@@]2(C)C[C@@H]1c1c3[nH]c4ccccc4c3cc(C)c1O2	ZINC000040975929	183153621	/nfs/dbraw/zinc/15/36/21/183153621.db2.gz	WASZRCKUCAJVNG-HOIFWPIMSA-N	0	0	317.432	5.850	1	30		DKEFRN
CC(C)=CCCC(C)=CC(=O)C=C(C)CCC/C(C)=C/CO	ZINC000040980886	183154604	/nfs/dbraw/zinc/15/46/04/183154604.db2.gz	NPMWNIILWACCCM-GNPICRTJSA-N	0	0	304.474	5.303	1	30		DKEFRN
CCCCCCCC/C=C\CCCCCCCC(=O)C(N)=O	ZINC000042834499	183313110	/nfs/dbraw/zinc/31/31/10/183313110.db2.gz	KNAHINXNTGMGLG-KTKRTIGZSA-N	0	0	309.494	5.078	1	30		DKEFRN
C=C1OC(=O)/C(=C/CCCCCCCCCCCCC)[C@@H]1O	ZINC000042889210	290940436	/nfs/dbraw/zinc/94/04/36/290940436.db2.gz	FCLYKYQBTSMTJB-WBWKYDSYSA-N	0	0	308.462	5.045	1	30	biogenic,in-vitro	DKEFRN
Cc1sc2c(c1C)c(C)cc(Nc1ccc(C#N)cc1)c2C	ZINC000042964236	183324115	/nfs/dbraw/zinc/32/41/15/183324115.db2.gz	MIABJJZODOFGLS-UHFFFAOYSA-N	0	0	306.434	5.750	1	30		DKEFRN
O=C(/C=C/c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2	ZINC000043010475	183327844	/nfs/dbraw/zinc/32/78/44/183327844.db2.gz	IHMKNCCPYWKVEH-AATRIKPKSA-N	0	0	317.432	5.034	1	30	in-vivo	DKEFRN
C=C[C@](C)(C/C=C(\C)CCC=C(C)C)c1ccc(O)c(O)c1	ZINC000043015756	183327826	/nfs/dbraw/zinc/32/78/26/183327826.db2.gz	YAHXRAWYSGJCNV-ZRNYNZGJSA-N	0	0	300.442	5.624	1	30		DKEFRN
CC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccc(C)cc1	ZINC000043066306	183333666	/nfs/dbraw/zinc/33/36/66/183333666.db2.gz	PWZQJKLIXMRMRT-LJQANCHMSA-N	0	0	309.434	5.117	1	30		DKEFRN
CC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccc(C)cc1	ZINC000043066310	183333676	/nfs/dbraw/zinc/33/36/76/183333676.db2.gz	PWZQJKLIXMRMRT-IBGZPJMESA-N	0	0	309.434	5.117	1	30		DKEFRN
CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@H]2OC1	ZINC000043067551	183333246	/nfs/dbraw/zinc/33/32/46/183333246.db2.gz	OQGXDKRHMBRZCS-CAPKMUHJSA-N	0	0	302.458	5.106	1	30		DKEFRN
C=C(C)[C@@H]1CCc2cc(C(C)C)ccc2[C@@]1(C)CCC(=O)OC	ZINC000043073998	183334143	/nfs/dbraw/zinc/33/41/43/183334143.db2.gz	UWAOFNCBECRACO-RXVVDRJESA-N	0	0	314.469	5.159	1	30		DKEFRN
C=CCCCCCCC[C@H]1C(=O)O[C@@H]1CCc1ccccc1	ZINC000043207793	183344526	/nfs/dbraw/zinc/34/45/26/183344526.db2.gz	TXAYXAYBDOMUDU-RTBURBONSA-N	0	0	300.442	5.078	1	30		DKEFRN
CCCCCC[C@H](c1ccccc1)C1=C(C)C(=O)C(C)=C(C)C1=O	ZINC000043259935	183348950	/nfs/dbraw/zinc/34/89/50/183348950.db2.gz	XJVDZQSRNSVYOD-LJQANCHMSA-N	0	0	324.464	5.545	1	30		DKEFRN
CCCCCCCCCCCCCC/C=C\CCCC(N)=O	ZINC000043285134	183350916	/nfs/dbraw/zinc/35/09/16/183350916.db2.gz	LRAAOIDTVPYLHJ-NXVVXOECSA-N	0	0	309.538	6.289	1	30		DKEFRN
CCCCCCCCCCCCCCCCC(=O)C(F)(F)F	ZINC000043285230	183350364	/nfs/dbraw/zinc/35/03/64/183350364.db2.gz	SXNLISPLIKPASC-UHFFFAOYSA-N	0	0	322.455	6.989	1	30		DKEFRN
CCCCCC/C=C\CCCCCCCCCCCC(N)=O	ZINC000043285472	183350767	/nfs/dbraw/zinc/35/07/67/183350767.db2.gz	USUPVYUMZAXGNT-FPLPWBNLSA-N	0	0	309.538	6.289	1	30		DKEFRN
CCCCCCCC/C=C/CCCCCCC(C)(C)C(N)=O	ZINC000043285582	183350745	/nfs/dbraw/zinc/35/07/45/183350745.db2.gz	IEWCYKTWXJRFFE-VAWYXSNFSA-N	0	0	309.538	6.145	1	30		DKEFRN
CCCCCCCCCCCCCCCC(=O)OC(C)(C)C	ZINC000043381935	183357881	/nfs/dbraw/zinc/35/78/81/183357881.db2.gz	QESUPNPIYGFLCJ-UHFFFAOYSA-N	0	0	312.538	6.809	1	30	in-vitro	DKEFRN
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC	ZINC000043408951	183359414	/nfs/dbraw/zinc/35/94/14/183359414.db2.gz	OGWMUXVWUHUNMI-QXMHVHEDSA-N	0	0	323.565	6.550	1	30		DKEFRN
CCCCCCCC/C=C/C/C=C\C=C\SCCC(=O)OC	ZINC000043409068	183360198	/nfs/dbraw/zinc/36/01/98/183360198.db2.gz	WFASSRFUUARNKB-NBXCMJDHSA-N	0	0	324.530	6.050	1	30		DKEFRN
CCCCCCCCCCCCCCCc1cc(O)ccc1O	ZINC000043422629	183361732	/nfs/dbraw/zinc/36/17/32/183361732.db2.gz	IFTCIJGLDWOLSB-UHFFFAOYSA-N	0	0	320.517	6.732	1	30		DKEFRN
CCCCCCCC[C@@H]1CCC[C@@H]1[NH2+]CCCCCC(=O)[O-]	ZINC000043439802	183364280	/nfs/dbraw/zinc/36/42/80/183364280.db2.gz	LDSBMPQRBGVMMF-MSOLQXFVSA-N	0	0	311.510	5.140	1	30		DKEFRN
C=CC[C@@]1(C)C(=O)S[C@](C)(CCCCCCCCCC)C1=O	ZINC000043490967	183366841	/nfs/dbraw/zinc/36/68/41/183366841.db2.gz	COILXWOUTUHROH-RTBURBONSA-N	0	0	324.530	5.701	1	30		DKEFRN
C=CC[C@@]1(C)C(=O)S[C@@](C)(CCCCCCCCCC)C1=O	ZINC000043490971	183366433	/nfs/dbraw/zinc/36/64/33/183366433.db2.gz	COILXWOUTUHROH-MOPGFXCFSA-N	0	0	324.530	5.701	1	30		DKEFRN
C=CC[C@]1(C)C(=O)S[C@](C)(CCCCCCCCCC)C1=O	ZINC000043490974	183366494	/nfs/dbraw/zinc/36/64/94/183366494.db2.gz	COILXWOUTUHROH-RBUKOAKNSA-N	0	0	324.530	5.701	1	30		DKEFRN
C=CC[C@]1(C)C(=O)S[C@@](C)(CCCCCCCCCC)C1=O	ZINC000043490977	183366744	/nfs/dbraw/zinc/36/67/44/183366744.db2.gz	COILXWOUTUHROH-OALUTQOASA-N	0	0	324.530	5.701	1	30		DKEFRN
CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1	ZINC000043640919	183376894	/nfs/dbraw/zinc/37/68/94/183376894.db2.gz	QOVZQINZWUSANF-UHFFFAOYSA-N	0	0	309.453	6.043	1	30	in-vivo	DKEFRN
CCCCCCCCC(=O)Nc1cccc(-c2ccccc2)c1	ZINC000043640920	183376753	/nfs/dbraw/zinc/37/67/53/183376753.db2.gz	FRWZNUVXQNGFDA-UHFFFAOYSA-N	0	0	309.453	6.043	1	30		DKEFRN
CCCCCCCNC(=S)[C@]1(c2ccccn2)CCCS1	ZINC000043871674	183388583	/nfs/dbraw/zinc/38/85/83/183388583.db2.gz	SOUNAKXKZBPHHU-QGZVFWFLSA-N	0	0	322.543	5.103	1	30		DKEFRN
CCCCCCCNC(=S)[C@@]1(c2ccccn2)CCCS1	ZINC000043871677	183388542	/nfs/dbraw/zinc/38/85/42/183388542.db2.gz	SOUNAKXKZBPHHU-KRWDZBQOSA-N	0	0	322.543	5.103	1	30		DKEFRN
C=C[C@H](CCCCC)O[C@@H]1CC(=O)O[C@@H]1CCCCCCC	ZINC000044093622	183394853	/nfs/dbraw/zinc/39/48/53/183394853.db2.gz	RBCKNBHWQGGROR-KZNAEPCWSA-N	0	0	310.478	5.183	1	30		DKEFRN
C=C[C@@H](CCCCC)O[C@@H]1CC(=O)O[C@@H]1CCCCCCC	ZINC000044093624	183394979	/nfs/dbraw/zinc/39/49/79/183394979.db2.gz	RBCKNBHWQGGROR-RCCFBDPRSA-N	0	0	310.478	5.183	1	30		DKEFRN
CCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000044146179	183396616	/nfs/dbraw/zinc/39/66/16/183396616.db2.gz	BVLLRRUJTJWODI-UHFFFAOYSA-N	0	0	309.453	6.043	1	30		DKEFRN
CCCCCCCCCCC/C=C\CCCCCCC(N)=O	ZINC000044181577	183398106	/nfs/dbraw/zinc/39/81/06/183398106.db2.gz	CYZZSCLENUOULU-SEYXRHQNSA-N	0	0	309.538	6.289	1	30		DKEFRN
CCCCCCCCNC(=O)/C=C/C=C(\C)CCC=C(C)C	ZINC000044351591	190673549	/nfs/dbraw/zinc/67/35/49/190673549.db2.gz	FLHRPNBBSAXUED-KATGWBAQSA-N	0	0	305.506	5.712	1	30		DKEFRN
C/C(=C\C=N\O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C	ZINC000045353314	183499969	/nfs/dbraw/zinc/49/99/69/183499969.db2.gz	PCWLLZGPLJKUCP-AYIVAGCXSA-N	0	0	309.538	6.832	1	30		DKEFRN
N#Cc1ccccc1-c1sc2ccccc2c1N1CCCCC1	ZINC000045355590	183501131	/nfs/dbraw/zinc/50/11/31/183501131.db2.gz	XXKWHXWXGNUJFQ-UHFFFAOYSA-N	0	0	318.445	5.430	1	30		DKEFRN
CCCCCc1cc(C#N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21	ZINC000045357413	183500558	/nfs/dbraw/zinc/50/05/58/183500558.db2.gz	MGLIKSZSFISFMY-RTBURBONSA-N	0	0	323.480	5.902	1	30		DKEFRN
C=C1C[C@]23C[C@H]1CC=C2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1CC3	ZINC000045368373	183502098	/nfs/dbraw/zinc/50/20/98/183502098.db2.gz	IXYPSKCWQCQDJQ-CULFCCOHSA-N	0	0	314.469	5.049	1	30		DKEFRN
N#Cc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1	ZINC000049053771	183707024	/nfs/dbraw/zinc/70/70/24/183707024.db2.gz	WIGFMIYCVPRNJN-UHFFFAOYSA-N	0	0	311.797	5.079	1	30		DKEFRN
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1	ZINC000049070466	183710384	/nfs/dbraw/zinc/71/03/84/183710384.db2.gz	ADPXGTXMLRWKFG-XKGZKEIXSA-N	0	0	300.442	5.190	1	30		DKEFRN
CCCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1	ZINC000049761835	183758448	/nfs/dbraw/zinc/75/84/48/183758448.db2.gz	CZUCVARHDLBFBC-UHFFFAOYSA-N	0	0	320.433	5.370	1	30	in-vivo	DKEFRN
N#Cc1cc(-c2ccc3scnc3c2)ccc1-c1ccccc1	ZINC000049783699	183759053	/nfs/dbraw/zinc/75/90/53/183759053.db2.gz	JZWOETATNMCUMV-UHFFFAOYSA-N	0	0	312.397	5.502	1	30		DKEFRN
N#Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000049785068	183758993	/nfs/dbraw/zinc/75/89/93/183758993.db2.gz	XHIKPDXEAYPBOD-UHFFFAOYSA-N	0	0	311.797	5.079	1	30		DKEFRN
CC(=O)C=C(C)C(=O)C(C)=CC(C)=C[C@H](C)/C=C/c1ccccc1	ZINC000058655458	184126089	/nfs/dbraw/zinc/12/60/89/184126089.db2.gz	XTZUPPOKVRWRIX-QGFVUGQASA-N	0	0	322.448	5.333	1	30		DKEFRN
C[C@@H]1CCCC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)C1	ZINC000059043302	184133682	/nfs/dbraw/zinc/13/36/82/184133682.db2.gz	RTHZGXDDKDOBFV-PFMFLNCGSA-N	0	0	319.861	5.442	1	30		DKEFRN
C[C@H]1CCCC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)C1	ZINC000059043303	184133604	/nfs/dbraw/zinc/13/36/04/184133604.db2.gz	RTHZGXDDKDOBFV-UXNQKTKSSA-N	0	0	319.861	5.442	1	30		DKEFRN
C=C(C)[C@@H]1CCC2=C(CCC(C(C)C)=C2)[C@@]1(C)CCC(=O)OC	ZINC000059151584	184135523	/nfs/dbraw/zinc/13/55/23/184135523.db2.gz	WTLNMWWJIYHSCH-RXVVDRJESA-N	0	0	316.485	5.605	1	30		DKEFRN
CCCCCC/C=C\CCCCCCCCCC(=O)OCC	ZINC000059301022	184137104	/nfs/dbraw/zinc/13/71/04/184137104.db2.gz	XZMSLYSQJNCDQH-KTKRTIGZSA-N	0	0	310.522	6.587	1	30	in-vitro	DKEFRN
CC1C(=O)C(=O)C2C(C)(C)CCC[C@]2(C)C1=CCc1ccoc1	ZINC000059588467	560082656	/nfs/dbraw/zinc/08/26/56/560082656.db2.gz	OOJGVMFNPNJNFV-HXUWFJFHSA-N	0	0	314.425	5.140	1	30	biogenic,in-vitro	DKEFRN
CCCCCCCCCC(=O)CCc1ccc(OC)c(OC)c1	ZINC000059636849	560082402	/nfs/dbraw/zinc/08/24/02/560082402.db2.gz	GDKBRPGQPSYBTE-UHFFFAOYSA-N	0	0	320.473	5.346	1	30	biogenic,in-vitro	DKEFRN
Fc1ccc(-c2csc(N=NC3CCCCCC3)n2)c(F)c1	ZINC000064380883	184296190	/nfs/dbraw/zinc/29/61/90/184296190.db2.gz	RHWSSVMHPLYFAR-UHFFFAOYSA-N	0	0	321.396	5.210	1	30		DKEFRN
CCCCCCCCCCCCCCc1ccc(O)c(O)c1O	ZINC000064447006	184297070	/nfs/dbraw/zinc/29/70/70/184297070.db2.gz	MDCTXWNNDLXVLU-UHFFFAOYSA-N	0	0	322.489	6.047	1	30		DKEFRN
CC1CCC(N=Nc2nc(-c3ccc(F)cc3F)cs2)CC1	ZINC000064448280	184297382	/nfs/dbraw/zinc/29/73/82/184297382.db2.gz	JPHCRZORRHYPFP-UHFFFAOYSA-N	0	0	321.396	5.066	1	30		DKEFRN
CC(=O)C=C(C)C(=O)C(C)=CC(C)=C[C@@H](C)/C=C/c1ccccc1	ZINC000064460027	184297543	/nfs/dbraw/zinc/29/75/43/184297543.db2.gz	XTZUPPOKVRWRIX-CRMACNFZSA-N	0	0	322.448	5.333	1	30		DKEFRN
Cc1nc(Nc2ccccc2)sc1C(=O)/C=C/c1ccccc1	ZINC000064511897	184298556	/nfs/dbraw/zinc/29/85/56/184298556.db2.gz	NVMORWGAHYJZLS-OUKQBFOZSA-N	0	0	320.417	5.091	1	30		DKEFRN
C[C@H]1CCCC(N=Nc2nc(-c3ccc(F)cc3F)cs2)C1	ZINC000064532185	190703139	/nfs/dbraw/zinc/70/31/39/190703139.db2.gz	WOGKJRCNUNAYLU-IRTGHPOMSA-N	0	0	321.396	5.066	1	30		DKEFRN
CCCCCCCc1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O	ZINC000064540003	184299340	/nfs/dbraw/zinc/29/93/40/184299340.db2.gz	YCUQAGKOHMNCIZ-UHFFFAOYSA-N	0	0	321.848	5.011	1	30		DKEFRN
C=C(CCCCC)c1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O	ZINC000064548502	184299052	/nfs/dbraw/zinc/29/90/52/184299052.db2.gz	AFXIGYAMVDCBEW-UHFFFAOYSA-N	0	0	319.832	5.092	1	30		DKEFRN
CCCCCCCCn1ccc2cc(-c3cccc(C)c3)ccc21	ZINC000064549338	184299610	/nfs/dbraw/zinc/29/96/10/184299610.db2.gz	DQZSPIRVZCHSPR-UHFFFAOYSA-N	0	0	319.492	6.977	1	30		DKEFRN
C[C@@H]1CCCC(N=Nc2nc(-c3ccc(F)cc3F)cs2)C1	ZINC000064553358	184299669	/nfs/dbraw/zinc/29/96/69/184299669.db2.gz	WOGKJRCNUNAYLU-TYYASITHSA-N	0	0	321.396	5.066	1	30		DKEFRN
C=C1C[C@@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(O)c(C(C)C)c21	ZINC000069482340	290939924	/nfs/dbraw/zinc/93/99/24/290939924.db2.gz	SOQKMLHVEZRJIC-IIBYNOLFSA-N	0	0	314.469	5.722	1	30	biogenic,in-vitro	DKEFRN
C=CCc1ccc(O)c(OC[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1	ZINC000070455181	290940437	/nfs/dbraw/zinc/94/04/37/290940437.db2.gz	RMVJYRGKELBJEN-CGTJXYLNSA-N	0	0	302.458	5.208	1	30	biogenic,in-vitro	DKEFRN
CCCCCCCCC[C@H]1C[C@H]1CCCCCCC(=O)OC	ZINC000070455439	290942038	/nfs/dbraw/zinc/94/20/38/290942038.db2.gz	BDPPYMYGHDNBFT-RBUKOAKNSA-N	0	0	310.522	6.277	1	30	biogenic,in-vitro	DKEFRN
CCCCCCCCCCCCCCCCC/C=C/C(=O)OC	ZINC000070455488	290942041	/nfs/dbraw/zinc/94/20/41/290942041.db2.gz	SYHMKLURAMOAEN-FMQUCBEESA-N	0	0	324.549	6.977	1	30	biogenic,in-vitro	DKEFRN
CCCCCCC/C=C/C(=O)CCc1ccc(OC)c(OC)c1	ZINC000070457387	571780422	/nfs/dbraw/zinc/78/04/22/571780422.db2.gz	ZNOLGYFCFIVHQI-ZHACJKMWSA-N	0	0	318.457	5.122	1	30	endogenous,in-man	DKEFRN
C=CCc1ccc(OCC)c(-c2ccc(OCC)c(CC=C)c2)c1	ZINC000070463315	190900158	/nfs/dbraw/zinc/90/01/58/190900158.db2.gz	ZBAYEOYBEJFJCK-UHFFFAOYSA-N	0	0	322.448	5.608	1	30		DKEFRN
C=CCn1c(/C=C/CCCCCCC)cc(=O)c2ccccc21	ZINC000071294415	190954460	/nfs/dbraw/zinc/95/44/60/190954460.db2.gz	IJJPCJVANRIFNG-JLHYYAGUSA-N	0	0	309.453	5.561	1	30		DKEFRN
CCCCCCCC/C=C\CCCCCCC(=O)C(F)(F)F	ZINC000072107551	191037451	/nfs/dbraw/zinc/03/74/51/191037451.db2.gz	PUZGMLZCXMESTR-KTKRTIGZSA-N	0	0	320.439	6.765	1	30		DKEFRN
CCCCCCCCCNc1nc(-c2ccc(Cl)cc2)c[nH]1	ZINC000072108201	191037856	/nfs/dbraw/zinc/03/78/56/191037856.db2.gz	ZDWLPIFFNNZFFN-UHFFFAOYSA-N	0	0	319.880	5.893	1	30		DKEFRN
CCCCCCCC/C=C\CCCCCCC(=O)C(=O)OCC	ZINC000072108496	191037685	/nfs/dbraw/zinc/03/76/85/191037685.db2.gz	ZNKONDBMFMTQPD-QXMHVHEDSA-N	0	0	324.505	5.766	1	30		DKEFRN
C=CCc1ccc(OC(C)C)c(-c2ccc(O)c(CC=C)c2)c1	ZINC000072116664	191038031	/nfs/dbraw/zinc/03/80/31/191038031.db2.gz	HQCIDURXKJARJH-UHFFFAOYSA-N	0	0	308.421	5.303	1	30		DKEFRN
C=CCc1ccc(O)c(-c2ccc(OC(C)C)c(CC=C)c2)c1	ZINC000072116982	191039264	/nfs/dbraw/zinc/03/92/64/191039264.db2.gz	HFGOCKMEXJVILJ-UHFFFAOYSA-N	0	0	308.421	5.303	1	30		DKEFRN
CCCCCCCCNc1nc(-c2cccc3ccccc32)c[nH]1	ZINC000072139829	191047818	/nfs/dbraw/zinc/04/78/18/191047818.db2.gz	NSUGRLSWMXGOLQ-UHFFFAOYSA-N	0	0	321.468	6.002	1	30		DKEFRN
CCCCCCCCCCCCCCC=C(C(C)=O)C(C)=O	ZINC000072171026	191069198	/nfs/dbraw/zinc/06/91/98/191069198.db2.gz	IHNCRYVYEGKPQM-UHFFFAOYSA-N	0	0	308.506	6.182	1	30		DKEFRN
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(C#CCCO)=CCC[C@@]21C	ZINC000072175354	191071157	/nfs/dbraw/zinc/07/11/57/191071157.db2.gz	WUOPLFOIMYJCQV-PSWRPDDJSA-N	0	0	316.529	5.587	1	30		DKEFRN
CCc1ccccc1N/C(=N\O)c1ccccc1-c1ccccc1	ZINC000072180886	191072014	/nfs/dbraw/zinc/07/20/14/191072014.db2.gz	IGVIJHUTUCPKSB-UHFFFAOYSA-N	0	0	316.404	5.164	1	30		DKEFRN
C=CCN(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1	ZINC000072181017	191072240	/nfs/dbraw/zinc/07/22/40/191072240.db2.gz	RBFIDNKGAJTOTG-UHFFFAOYSA-N	0	0	324.811	5.188	1	30		DKEFRN
CCc1ccc(N/C(=N/O)c2ccccc2-c2ccccc2)cc1	ZINC000072183600	191072162	/nfs/dbraw/zinc/07/21/62/191072162.db2.gz	PYNIMQZYUWAIGH-UHFFFAOYSA-N	0	0	316.404	5.164	1	30		DKEFRN
Cc1ccc(-c2cc3cc(C#N)ccn3c2-c2ccc(C)cc2)cc1	ZINC000073168586	191288460	/nfs/dbraw/zinc/28/84/60/191288460.db2.gz	LHZOFGSIHNWAAM-UHFFFAOYSA-N	0	0	322.411	5.762	1	30		DKEFRN
CCCCCCCn1c2ccccc2nc1CCCCCC	ZINC000073195629	191290089	/nfs/dbraw/zinc/29/00/89/191290089.db2.gz	CBQJJNXRAGAMLP-UHFFFAOYSA-N	0	0	300.490	6.130	1	30		DKEFRN
CCCCCCCCc1ccc(C2CCC(N)(C#N)CC2)cc1	ZINC000073198068	191291395	/nfs/dbraw/zinc/29/13/95/191291395.db2.gz	WETZBYXVXWWUNR-UHFFFAOYSA-N	0	0	312.501	5.468	1	30		DKEFRN
O=C(/C=C/c1cccs1)c1ccc(/C=C/c2ccccc2)cc1	ZINC000073198788	191291535	/nfs/dbraw/zinc/29/15/35/191291535.db2.gz	OTSXLJVTUNRVSQ-IDRAWEHWSA-N	0	0	316.425	5.815	1	30		DKEFRN
Cc1cccc2cc(/C=C/C(=O)c3ccsc3)c(Cl)nc12	ZINC000073224873	191295947	/nfs/dbraw/zinc/29/59/47/191295947.db2.gz	ODCVJYFHOHXKLS-AATRIKPKSA-N	0	0	313.809	5.154	1	30		DKEFRN
Cc1ccc2cc(/C=C/C(=O)c3ccsc3)c(Cl)nc2c1	ZINC000073225040	191296250	/nfs/dbraw/zinc/29/62/50/191296250.db2.gz	ZDGJHNFTMQRPSK-SNAWJCMRSA-N	0	0	313.809	5.154	1	30		DKEFRN
Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccsc3)cc2c1	ZINC000073239968	191295409	/nfs/dbraw/zinc/29/54/09/191295409.db2.gz	ZBELHGPRKUJRPH-HWKANZROSA-N	0	0	313.809	5.154	1	30		DKEFRN
CCCCCCCCCCCCOC(=S)NCCCC	ZINC000073278133	191299836	/nfs/dbraw/zinc/29/98/36/191299836.db2.gz	LWIBVTBZOBGYMD-UHFFFAOYSA-N	0	0	301.540	5.599	1	30		DKEFRN
Cc1ccc2nc(-c3c[nH]c4ccc(Cl)cc43)c(C#N)cc2c1	ZINC000073295601	191301093	/nfs/dbraw/zinc/30/10/93/191301093.db2.gz	ASJGPFAVONEYIP-UHFFFAOYSA-N	0	0	317.779	5.217	1	30		DKEFRN
CC(C)c1cc(C(C)(C)C)cc(-c2cccc(C#N)c2)c1CO	ZINC000073296339	191301278	/nfs/dbraw/zinc/30/12/78/191301278.db2.gz	XDIJLMUJOCIRMD-UHFFFAOYSA-N	0	0	307.437	5.138	1	30		DKEFRN
N#Cc1ccc(Oc2cccnc2)cc1Oc1cccc(Cl)c1	ZINC000073297851	191302701	/nfs/dbraw/zinc/30/27/01/191302701.db2.gz	KMVJIMKADALXAU-UHFFFAOYSA-N	0	0	322.751	5.191	1	30		DKEFRN
N#Cc1ccc(Oc2cccnc2)c(Oc2cccc(Cl)c2)c1	ZINC000073297860	191301760	/nfs/dbraw/zinc/30/17/60/191301760.db2.gz	NHGCBSOMBSFEIW-UHFFFAOYSA-N	0	0	322.751	5.191	1	30		DKEFRN
Cc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	ZINC000073314970	191303799	/nfs/dbraw/zinc/30/37/99/191303799.db2.gz	HJXBXPDZKDUCRG-BUVRLJJBSA-N	0	0	324.427	5.749	1	30		DKEFRN
CCCCCCCCCCCCNC(=S)OCCCC	ZINC000073354730	191308603	/nfs/dbraw/zinc/30/86/03/191308603.db2.gz	HYKHJVBLFVLXDD-UHFFFAOYSA-N	0	0	301.540	5.599	1	30		DKEFRN
CCCCCCC/C=C\c1cccc(OC)c1C(=O)OCC	ZINC000073443737	191318247	/nfs/dbraw/zinc/31/82/47/191318247.db2.gz	XCCGGEPEBJAUBK-QBFSEMIESA-N	0	0	304.430	5.246	1	30		DKEFRN
C=C[C@@](C)(/C=C/c1ccc(OC(=O)CC)cc1)CCC=C(C)C	ZINC000082150837	192361446	/nfs/dbraw/zinc/36/14/46/192361446.db2.gz	MUHQAUUMLSGJDY-DGWAXEAPSA-N	0	0	312.453	5.954	1	30		DKEFRN
O=C(/C=C/c1cccc(-c2ccc(F)cc2)c1)c1ccc(F)cc1	ZINC000082152118	192362265	/nfs/dbraw/zinc/36/22/65/192362265.db2.gz	AEYWERVVAPSYPT-YIXHJXPBSA-N	0	0	320.338	5.528	1	30		DKEFRN
O=C(/C=C/c1cccc(-c2ccc(F)cc2)c1)c1ccc(O)cc1	ZINC000082152119	192362448	/nfs/dbraw/zinc/36/24/48/192362448.db2.gz	PYWBYOLDXKFFPI-YIXHJXPBSA-N	0	0	318.347	5.094	1	30		DKEFRN
CCCCCCCCc1ccc(C2CCC(=CCO)CC2)cc1	ZINC000082155878	192363091	/nfs/dbraw/zinc/36/30/91/192363091.db2.gz	ZTEUFCHLFDPODI-UHFFFAOYSA-N	0	0	314.513	6.166	1	30		DKEFRN
CCCCCCCCc1ccc(C2CCC(=NO)CC2)cc1	ZINC000082155882	192362768	/nfs/dbraw/zinc/36/27/68/192362768.db2.gz	BYYCJSPROUBUIC-UHFFFAOYSA-N	0	0	301.474	6.077	1	30		DKEFRN
CCCCCCCCCCc1cn(CCc2ccccc2)nn1	ZINC000084602313	192445714	/nfs/dbraw/zinc/44/57/14/192445714.db2.gz	FXWWDCHXZCLXLN-UHFFFAOYSA-N	0	0	313.489	5.204	1	30		DKEFRN
CC(C)(C)c1ccc(Nc2nc3ccc(C#N)cc3s2)cc1	ZINC000084638489	192449733	/nfs/dbraw/zinc/44/97/33/192449733.db2.gz	RAPWJZSTWZACFT-UHFFFAOYSA-N	0	0	307.422	5.209	1	30		DKEFRN
CCCCCCC[C@@]1(c2cccc(Cl)c2)OC(C)(C)OC1=O	ZINC000084672167	192453586	/nfs/dbraw/zinc/45/35/86/192453586.db2.gz	NGDNOLDIJXVHKH-SFHVURJKSA-N	0	0	324.848	5.205	1	30		DKEFRN
CCCCCCC[C@@](O)(c1cccc(Cl)c1)c1ccccn1	ZINC000084672356	192454720	/nfs/dbraw/zinc/45/47/20/192454720.db2.gz	GONFCPJNRWBZGL-LJQANCHMSA-N	0	0	317.860	5.331	1	30		DKEFRN
CCCCCCCCCCC[C@H](C=CC(=O)[O-])NC1=[NH+]CC=C1	ZINC000085510456	560073978	/nfs/dbraw/zinc/07/39/78/560073978.db2.gz	PMNYLXZLLKUTQC-IAOULYHDSA-N	0	0	319.469	5.143	1	30	biogenic,in-vitro	DKEFRN
CCCCCCCCCCCC/C=C/c1ccc2c(c1)OCO2	ZINC000085530283	290941822	/nfs/dbraw/zinc/94/18/22/290941822.db2.gz	BEOIDMITODJMIC-BUHFOSPRSA-N	0	0	316.485	6.740	1	30	biogenic,in-vitro	DKEFRN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2(C)[C@H]1CCC[C@@H](CO)C1	ZINC000085545049	290939926	/nfs/dbraw/zinc/93/99/26/290939926.db2.gz	XVVRFNKELXTOPV-LWYMYGHISA-N	0	0	302.502	5.050	1	30	biogenic,in-vitro	DKEFRN
C=C1C=C2[C@@]3(CCC[C@@H]3CO)CC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C	ZINC000085545225	290939651	/nfs/dbraw/zinc/93/96/51/290939651.db2.gz	GSMITNPVOWJAGL-XALKBMAMSA-N	0	0	324.508	5.280	1	30	biogenic,in-vitro	DKEFRN
C=C1C=C2[C@H](CCO)CC3(CCCC3)[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C	ZINC000085545259	290939666	/nfs/dbraw/zinc/93/96/66/290939666.db2.gz	YDWMDBLSDPONLT-HGNHLGAKSA-N	0	0	314.513	5.360	1	30	biogenic,in-vitro	DKEFRN
C=C1C=C2[C@@]3(CCC4(CCCC4)C3)CC[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C	ZINC000085545268	290939647	/nfs/dbraw/zinc/93/96/47/290939647.db2.gz	WRJDIPIZHUNOTA-MZZCSFHOSA-N	0	0	324.552	6.922	1	30	biogenic,in-vitro	DKEFRN
C=C1C=C2C3(CCCC3)C[C@@H](CCO)[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C	ZINC000085545283	560070819	/nfs/dbraw/zinc/07/08/19/560070819.db2.gz	YQMNDFHNPWQYCO-JZYLZAGLSA-N	0	0	314.513	5.360	1	30	biogenic,in-vitro	DKEFRN
C=C1C=C2CCC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C1CCCCC1	ZINC000085545332	290939659	/nfs/dbraw/zinc/93/96/59/290939659.db2.gz	ZLUZLZOTMMPGEK-VGSGFSFPSA-N	0	0	308.509	6.452	1	30	biogenic,in-vitro	DKEFRN
C=C1CC[C@@H]2O[C@]2(C)CC[C@]2(COC)[C@@H]1C[C@]2(C)C1CCCC1	ZINC000085547301	290939656	/nfs/dbraw/zinc/93/96/56/290939656.db2.gz	NGXCKOILDPXDSU-XNTOXWQXSA-N	0	0	318.501	5.123	1	30	biogenic,in-vitro	DKEFRN
C=C1CC2(CCCC2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23	ZINC000085547328	290939642	/nfs/dbraw/zinc/93/96/42/290939642.db2.gz	KZBCEECWPNSEIJ-GPBSYSOESA-N	0	0	300.486	5.497	1	30	biogenic,in-vitro	DKEFRN
C=C1CC2(CCCC2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C	ZINC000085547333	290939617	/nfs/dbraw/zinc/93/96/17/290939617.db2.gz	LUQJQHRYAVTSLI-NPGRCNIMSA-N	0	0	300.486	5.497	1	30	biogenic,in-vitro	DKEFRN
C=C1CC[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C4CCCCC4)C[C@H]1[C@@H]23	ZINC000085547369	290939636	/nfs/dbraw/zinc/93/96/36/290939636.db2.gz	DUMWEIODEYXWSA-FIDCJMJNSA-N	0	0	314.513	5.887	1	30	biogenic,in-vitro	DKEFRN
CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)[C@@]3(C)CCc1ccc(O)cc1	ZINC000085549727	290941020	/nfs/dbraw/zinc/94/10/20/290941020.db2.gz	KYHGMAMSMKVWEW-QGUZNEQPSA-N	0	0	324.464	5.057	1	30	biogenic,in-vitro	DKEFRN
C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4[C@@H](CO)CC[C@]42C=CC(C)=C3C1	ZINC000085550167	560071835	/nfs/dbraw/zinc/07/18/35/560071835.db2.gz	CTGJWQINKHLSJJ-VTRMHMOVSA-N	0	0	310.481	5.200	1	30	biogenic,in-vitro	DKEFRN
C=C(C)[C@H]1CC2=C(C)C=C[C@@]34C[C@H](CO)C[C@@H]3CC[C@H](C1)[C@]24C	ZINC000085550177	290939268	/nfs/dbraw/zinc/93/92/68/290939268.db2.gz	SURHFRPYKHBCAN-SFGIZBKVSA-N	0	0	312.497	5.280	1	30	biogenic,in-vitro	DKEFRN
C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CCC2(CCCC2)C3)C1	ZINC000085550205	560071844	/nfs/dbraw/zinc/07/18/44/560071844.db2.gz	XTCQZLVAGIHWPQ-LSWJPFSZSA-N	0	0	310.525	6.986	1	30	biogenic,in-vitro	DKEFRN
CC#Cc1ccc(-c2ccc(C(=O)C3CCCCC3)s2)s1	ZINC000085592368	560065825	/nfs/dbraw/zinc/06/58/25/560065825.db2.gz	RAZVTRJOCNCYHB-UHFFFAOYSA-N	0	0	314.475	5.611	1	30	biogenic,in-vitro	DKEFRN
CC#Cc1ccc(-c2ccc(C(=O)C3CCCC3)s2)s1	ZINC000085592370	290940635	/nfs/dbraw/zinc/94/06/35/290940635.db2.gz	ZOXHUNAFDWBKQT-UHFFFAOYSA-N	0	0	300.448	5.221	1	30	biogenic,in-vitro	DKEFRN
CCCCCCCCCCCCCCC(=O)C[C@H](O)CCC	ZINC000085663640	571787085	/nfs/dbraw/zinc/78/70/85/571787085.db2.gz	SGLIGOVXSAHBRY-LJQANCHMSA-N	0	0	312.538	6.198	1	30	endogenous,in-man	DKEFRN
CCCCCCCCCCCCCCC(=O)C[C@@H](O)CCC	ZINC000085663643	571787142	/nfs/dbraw/zinc/78/71/42/571787142.db2.gz	SGLIGOVXSAHBRY-IBGZPJMESA-N	0	0	312.538	6.198	1	30	endogenous,in-man	DKEFRN
CCCCCCCCCCCCCC(=O)C[C@H](O)CCCC	ZINC000085663648	571787538	/nfs/dbraw/zinc/78/75/38/571787538.db2.gz	KPKHDMCPQMHIGR-LJQANCHMSA-N	0	0	312.538	6.198	1	30	endogenous,in-man	DKEFRN
CCCCCCCCCCCCCC(=O)C[C@@H](O)CCCC	ZINC000085663650	571787540	/nfs/dbraw/zinc/78/75/40/571787540.db2.gz	KPKHDMCPQMHIGR-IBGZPJMESA-N	0	0	312.538	6.198	1	30	endogenous,in-man	DKEFRN
C=C[C@@](C)(O)[C@@H](O)CC[C@@H](C)CCC[C@@H](C)CCCC(C)C	ZINC000085773767	290940433	/nfs/dbraw/zinc/94/04/33/290940433.db2.gz	AIGNAKDHCZHHSV-LWYYNNOASA-N	0	0	312.538	5.333	1	30	biogenic,in-vitro	DKEFRN
CCCCCCCCCCC/C=C\CCCC1=C[C@@H](C)OC1=O	ZINC000085836597	290941838	/nfs/dbraw/zinc/94/18/38/290941838.db2.gz	PYRUZNPZTYDOPI-FNDLEWIFSA-N	0	0	320.517	6.506	1	30	biogenic,in-vitro	DKEFRN
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1	ZINC000085993836	290939625	/nfs/dbraw/zinc/93/96/25/290939625.db2.gz	RUXYUBRFOACSMM-SQGPQFPESA-N	0	0	302.458	5.049	1	30	biogenic,in-vitro	DKEFRN
C=C1CC[C@H]2CC(C)(C)CC[C@]2(C)[C@H]1Cc1ccoc1CC=O	ZINC000095485985	290939925	/nfs/dbraw/zinc/93/99/25/290939925.db2.gz	IQLAEXBPFFIDNI-WFXMLNOXSA-N	0	0	314.469	5.362	1	30	biogenic,in-vitro	DKEFRN
C=C[C@@](C)(C/C=C(\C)CCC=C(C)C)c1ccc(O)c(O)c1	ZINC000095541666	185379438	/nfs/dbraw/zinc/37/94/38/185379438.db2.gz	YAHXRAWYSGJCNV-GRFAERAESA-N	0	0	300.442	5.624	1	30		DKEFRN
CC1=C(/C=C/C(=O)/C=C/C=C/c2ccccc2)C(C)(C)CCC1	ZINC000095571839	185380479	/nfs/dbraw/zinc/38/04/79/185380479.db2.gz	AWEYRAWDRZGGTC-JMYNOJCWSA-N	0	0	306.449	5.908	1	30		DKEFRN
CC1=C(/C=C/C(=O)/C=C/c2ccccc2Cl)C(C)(C)CCC1	ZINC000095572468	185380417	/nfs/dbraw/zinc/38/04/17/185380417.db2.gz	CHYWHLZYMPOUNA-AQASXUMVSA-N	0	0	314.856	6.005	1	30		DKEFRN
COc1ccc2c(c1)CCC(=O)/C2=C/c1ccc(C(C)(C)C)cc1	ZINC000095574686	185380593	/nfs/dbraw/zinc/38/05/93/185380593.db2.gz	NSUYUJRLHNIBHZ-DEDYPNTBSA-N	0	0	320.432	5.049	1	30		DKEFRN
C=CCNc1c2c3ccccc3nc-2oc2ccc(Cl)cc21	ZINC000095577130	185380792	/nfs/dbraw/zinc/38/07/92/185380792.db2.gz	IQYHBIYBMBJDIN-UHFFFAOYSA-N	0	0	308.768	5.337	1	30		DKEFRN
COc1ccc(/C=C/C(=O)/C=C/C2=C(C)CCCC2(C)C)cc1	ZINC000095577202	185380857	/nfs/dbraw/zinc/38/08/57/185380857.db2.gz	PAANQUXCQZETRS-APBFJCRLSA-N	0	0	310.437	5.360	1	30		DKEFRN
CC1=C(/C=C/C(=O)/C=C/c2ccc(C#N)cc2)C(C)(C)CCC1	ZINC000095577726	185380752	/nfs/dbraw/zinc/38/07/52/185380752.db2.gz	UZMRZZLNSXSNRI-AQASXUMVSA-N	0	0	305.421	5.223	1	30		DKEFRN
CC1=C(/C=C/C(=O)/C=C/c2ccc(Cl)cc2)C(C)(C)CCC1	ZINC000095579439	185380740	/nfs/dbraw/zinc/38/07/40/185380740.db2.gz	UMFGXNDZXDPZIE-OWKCIBLPSA-N	0	0	314.856	6.005	1	30		DKEFRN
Cn1c2ccccc2c2c1-c1ccccc1C2=NNc1ccccc1	ZINC000095587075	185381660	/nfs/dbraw/zinc/38/16/60/185381660.db2.gz	NDKGUNOBDZFBNB-DARPEHSRSA-N	0	0	323.399	5.023	1	30		DKEFRN
c1ccc(NN=C2c3ccccc3-c3[nH]c4ccccc4c32)cc1	ZINC000095591553	185382196	/nfs/dbraw/zinc/38/21/96/185382196.db2.gz	ZGPUHMLSWOZDSO-DARPEHSRSA-N	0	0	309.372	5.013	1	30		DKEFRN
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(C(C)(C)C)cc1	ZINC000095594346	193445903	/nfs/dbraw/zinc/44/59/03/193445903.db2.gz	ALRQOWKGSMNOEA-LPYMAVHISA-N	0	0	309.453	5.872	1	30		DKEFRN
Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1ccc(C(C)C)cc1	ZINC000095595138	193447860	/nfs/dbraw/zinc/44/78/60/193447860.db2.gz	COZXPFDBKURLCG-LPYMAVHISA-N	0	0	309.453	5.872	1	30		DKEFRN
Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1ccc(Cl)cc1	ZINC000095597226	185382341	/nfs/dbraw/zinc/38/23/41/185382341.db2.gz	WLDGLEBGPFCKDQ-RGVLZGJSSA-N	0	0	301.817	5.402	1	30		DKEFRN
CCCCCCCCCCSc1nc(CC)nc2[nH]cnc21	ZINC000095602613	185382295	/nfs/dbraw/zinc/38/22/95/185382295.db2.gz	MPQBBYPZXQBCGF-UHFFFAOYSA-N	0	0	320.506	5.148	1	30		DKEFRN
CCCCCCCCCCSc1ncnc2c1ncn2CC	ZINC000095603837	185382491	/nfs/dbraw/zinc/38/24/91/185382491.db2.gz	HOPBTZPJGZXSRV-UHFFFAOYSA-N	0	0	320.506	5.079	1	30		DKEFRN
C=C[C@]1(C)CC[C@]23[C@@H](OC)O[C@]4(CC[C@@H]2C1)[C@H]3CCCC4(C)C	ZINC000095911332	290940616	/nfs/dbraw/zinc/94/06/16/290940616.db2.gz	KRPUMHPOOKLEES-CYSNJDBQSA-N	0	0	318.501	5.327	1	30	biogenic,in-vitro	DKEFRN
C=C[C@]1(C)C=C2C(=C)C[C@H]3C(C)(C)CCC[C@]3(C)[C@@]2(O)CC1	ZINC000095912091	290940641	/nfs/dbraw/zinc/94/06/41/290940641.db2.gz	XUVZMOXTCRFGEP-ZIBCJSCZSA-N	0	0	300.486	5.423	1	30	biogenic,in-vitro	DKEFRN
CC1=CC(=O)C[C@@]2(C)[C@H]1CC[C@H](C)[C@]2(C)CCc1ccoc1	ZINC000095919341	290941028	/nfs/dbraw/zinc/94/10/28/290941028.db2.gz	DFYBEQDYTYLVGX-KNTRFNDTSA-N	0	0	300.442	5.190	1	30	biogenic,in-vitro	DKEFRN
N#Cc1c(Cl)c(Cl)c(Nc2ccccc2)c(C#N)c1Cl	ZINC000096909236	185390878	/nfs/dbraw/zinc/39/08/78/185390878.db2.gz	WFNZGAPFDXFSFZ-UHFFFAOYSA-N	0	0	322.582	5.134	1	30		DKEFRN
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC=O)O2	ZINC000096914039	185391166	/nfs/dbraw/zinc/39/11/66/185391166.db2.gz	SPSDMXNIKLRSSZ-FRYIKTPZSA-N	0	0	304.474	5.066	1	30		DKEFRN
C#CC[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C	ZINC000096914040	185391141	/nfs/dbraw/zinc/39/11/41/185391141.db2.gz	BAUKPUHJARMXAN-FYZZASKESA-N	0	0	300.486	5.500	1	30		DKEFRN
COc1ccc(C(=Nc2ccccc2)Nc2ccc(F)cc2)cc1	ZINC000096914203	185391241	/nfs/dbraw/zinc/39/12/41/185391241.db2.gz	YXLHTYDZRXFDLB-UHFFFAOYSA-N	0	0	320.367	5.025	1	30		DKEFRN
COc1ccc(C(=Nc2ccccc2)Nc2cccc(F)c2)cc1	ZINC000096914204	185391315	/nfs/dbraw/zinc/39/13/15/185391315.db2.gz	MRYPAAHNXUIRMD-UHFFFAOYSA-N	0	0	320.367	5.025	1	30		DKEFRN
COc1ccc(C(=Nc2ccccc2)Nc2cccc(C)c2)cc1	ZINC000096914211	185391134	/nfs/dbraw/zinc/39/11/34/185391134.db2.gz	TYENXRYWYAIOSE-UHFFFAOYSA-N	0	0	316.404	5.194	1	30		DKEFRN
C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C(=O)OC)CCC[C@@]3(C)[C@@H]2CC1	ZINC000096914703	185391233	/nfs/dbraw/zinc/39/12/33/185391233.db2.gz	BGCXKCIPDDNDEV-GZSKETOLSA-N	0	0	316.485	5.295	1	30		DKEFRN
CCC(C)N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000096923763	185391631	/nfs/dbraw/zinc/39/16/31/185391631.db2.gz	KXMVZGBNPBBFSL-CAOOACKPSA-N	0	0	314.241	5.315	1	30		DKEFRN
C=C1/C=C\C(C)(C)CC2=C(C)C(=O)[C@]3(C[C@@H](C)C=C3/C=C\1C)O2	ZINC000096928253	185392017	/nfs/dbraw/zinc/39/20/17/185392017.db2.gz	WKMBMCLZAODHON-WAFZFUDPSA-N	0	0	310.437	5.053	1	30		DKEFRN
CC1(C)[C@H]2C[C@@H]1C(=O)C=C2/C=C/c1ccc(-c2ccccc2)cc1	ZINC000096931798	185392462	/nfs/dbraw/zinc/39/24/62/185392462.db2.gz	BHSQUOPRYOKNFN-CYYRHQSGSA-N	0	0	314.428	5.538	1	30		DKEFRN
CCCCCCCc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1	ZINC000096935117	185392678	/nfs/dbraw/zinc/39/26/78/185392678.db2.gz	ZHNPRCVWFWOCPO-UHFFFAOYSA-N	0	0	311.347	5.060	1	30		DKEFRN
Cc1cc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c(C)o1	ZINC000098084222	193783913	/nfs/dbraw/zinc/78/39/13/193783913.db2.gz	JLHZRVBPCCDDDD-JLHYYAGUSA-N	0	0	302.373	5.460	1	30		DKEFRN
CCCC1(CCC)CC(=O)C([C@@H](CC)c2ccccc2)C(=O)O1	ZINC000100785402	581094577	/nfs/dbraw/zinc/09/45/77/581094577.db2.gz	UQYNGOOFKMEYCN-INIZCTEOSA-N	0	0	316.441	5.278	1	30		DKEFRN
CCCC1(CCC)CC(=O)C([C@H](CC)c2ccccc2)C(=O)O1	ZINC000100785410	581094594	/nfs/dbraw/zinc/09/45/94/581094594.db2.gz	UQYNGOOFKMEYCN-MRXNPFEDSA-N	0	0	316.441	5.278	1	30		DKEFRN
O=C(C=Cc1ccccc1)C1=C(O)C(=Cc2ccccc2)CCC1	ZINC000101125885	193808041	/nfs/dbraw/zinc/80/80/41/193808041.db2.gz	RETKILLISVBZCR-KCWGJXEGSA-N	0	0	316.400	5.349	1	30		DKEFRN
C[C@H]1CCCCC1N=Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000101220336	193808786	/nfs/dbraw/zinc/80/87/86/193808786.db2.gz	JBCSKFKLXZHIIW-UXNQKTKSSA-N	0	0	319.861	5.442	1	30		DKEFRN
C[C@H]1CCCCC1N=Nc1nc(-c2ccc(F)cc2F)cs1	ZINC000101220437	193809248	/nfs/dbraw/zinc/80/92/48/193809248.db2.gz	GBSDYRSNVCORPF-JEPWKTLESA-N	0	0	321.396	5.066	1	30		DKEFRN
C=CC[C@@H](Nc1cccc2ccccc21)c1cc2ccccc2o1	ZINC000103167502	193925297	/nfs/dbraw/zinc/92/52/97/193925297.db2.gz	ZZWSHZCZANYVML-HXUWFJFHSA-N	0	0	313.400	6.315	1	30		DKEFRN
C=CC[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1F	ZINC000103167505	193925031	/nfs/dbraw/zinc/92/50/31/193925031.db2.gz	OZCDPSJAWJIZBI-IBGZPJMESA-N	0	0	315.407	5.992	1	30		DKEFRN
C=CC[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc21	ZINC000103172588	185436780	/nfs/dbraw/zinc/43/67/80/185436780.db2.gz	RBWLLHPMZARNNN-FQEVSTJZSA-N	0	0	316.444	6.377	1	30		DKEFRN
CCCCCCCCCO[C@H]1C=CC[C@H]1CCOCCC(C)C	ZINC000103213355	185438537	/nfs/dbraw/zinc/43/85/37/185438537.db2.gz	RARONMVSEDXYIY-SFTDATJTSA-N	0	0	324.549	6.151	1	30		DKEFRN
C=C(C)[C@H]1CC[C@]2(C)C/C=C(\C)CC/C=C(\C(=O)OC)CC[C@@H]12	ZINC000103286444	185444525	/nfs/dbraw/zinc/44/45/25/185444525.db2.gz	XZYWMVMURJJIFG-BAOOVMHGSA-N	0	0	316.485	5.605	1	30		DKEFRN
C=C[C@@]1(C)CC[C@]2(C)[C@H]3CCC(O)=C(C=O)[C@@]3(C)CC[C@H]2C1	ZINC000103569351	290940571	/nfs/dbraw/zinc/94/05/71/290940571.db2.gz	NNZPKJGWSFLBKX-RPTFBBGQSA-N	0	0	302.458	5.206	1	30	biogenic,in-vitro	DKEFRN
C[C@@H]1CCCC1N=Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000137507531	196576942	/nfs/dbraw/zinc/57/69/42/196576942.db2.gz	LHYJLUDVNRYACS-IQRLKCEISA-N	0	0	305.834	5.051	1	30		DKEFRN
C=C(C)[C@@H]1CC/C(C)=C\CC/C(C)=C\C(=O)C[C@@]2(C)O[C@@H]2C1	ZINC000148006374	186042696	/nfs/dbraw/zinc/04/26/96/186042696.db2.gz	UCOLQSNNKIYDRU-NOFFFOMISA-N	0	0	302.458	5.152	1	30		DKEFRN
Cc1sc(N=NC(C)c2cccs2)nc1-c1ccccc1	ZINC000169329360	197742657	/nfs/dbraw/zinc/74/26/57/197742657.db2.gz	JFYPCRGHPWOABO-WOJGMQOQSA-N	0	0	313.451	5.016	1	30		DKEFRN
C[C@H]1CCCC1N=Nc1nc(-c2ccc3ccccc3c2)cs1	ZINC000169330819	197742332	/nfs/dbraw/zinc/74/23/32/197742332.db2.gz	QILSNBSSWCAXAA-NGFMMCKOSA-N	0	0	321.449	5.551	1	30		DKEFRN
Cc1sc(N=NC2CCCCCCC2)nc1-c1ccccc1	ZINC000169330851	197742947	/nfs/dbraw/zinc/74/29/47/197742947.db2.gz	AWLWAKMQFARXNP-UHFFFAOYSA-N	0	0	313.470	5.631	1	30		DKEFRN
CCCCCCCCCc1ccc(OCc2ccccc2)cc1	ZINC000169342415	197744111	/nfs/dbraw/zinc/74/41/11/197744111.db2.gz	BZAMGEFANMJPFT-UHFFFAOYSA-N	0	0	310.481	6.559	1	30		DKEFRN
N#Cc1nc(-c2cccc3ccccc32)oc1Nc1ccccc1	ZINC000169345946	197744391	/nfs/dbraw/zinc/74/43/91/197744391.db2.gz	NNNIIGMCLSTBRT-UHFFFAOYSA-N	0	0	311.344	5.110	1	30		DKEFRN
C=C(C)[C@@H]1CC(=O)/C(C)=C\CC/C(C)=C/CC[C@]2(C)O[C@@H]2C1	ZINC000169354262	197744887	/nfs/dbraw/zinc/74/48/87/197744887.db2.gz	OEPTXZKKXAKLNP-NNKDTJJRSA-N	0	0	302.458	5.152	1	30		DKEFRN
C=C(C)[C@@H]1CC(=O)/C(C)=C/CCC/C(C)=C\CC[C@]2(C)O[C@@H]2C1	ZINC000169354312	197745369	/nfs/dbraw/zinc/74/53/69/197745369.db2.gz	OGOAAKPRFPKQQC-XTLBCROGSA-N	0	0	316.485	5.542	1	30		DKEFRN
COC(C)(C)/C1=C\C=C(\C)CC[C@H]2O[C@@]2(C)CC/C=C(/C)CC1	ZINC000169354319	197746068	/nfs/dbraw/zinc/74/60/68/197746068.db2.gz	IVESFYBFQSGMDH-CVNCVSIASA-N	0	0	318.501	5.742	1	30		DKEFRN
COC(C)(C)/C1=C/C=C(/C)CC[C@H]2O[C@@]2(C)CC/C=C(/C)CC1	ZINC000169354321	197746388	/nfs/dbraw/zinc/74/63/88/197746388.db2.gz	IVESFYBFQSGMDH-FJIJZNDKSA-N	0	0	318.501	5.742	1	30		DKEFRN
COC(C)(C)/C1=C/C=C(\C)CC[C@H]2O[C@@]2(C)CC/C=C(/C)CC1	ZINC000169354323	197746110	/nfs/dbraw/zinc/74/61/10/197746110.db2.gz	IVESFYBFQSGMDH-DNNRVXSTSA-N	0	0	318.501	5.742	1	30		DKEFRN
C=C(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@H](C)/C=C\C=C(/C)C(=O)C1	ZINC000169363008	197745811	/nfs/dbraw/zinc/74/58/11/197745811.db2.gz	FBCYNTCAJCSDGD-GKHZGZNFSA-N	0	0	302.458	5.008	1	30		DKEFRN
C=C1CCC[C@H]2[C@](C)(C/C=C(\CC=O)C(C)=O)[C@@H](C)CC[C@@]12C	ZINC000169369187	197746419	/nfs/dbraw/zinc/74/64/19/197746419.db2.gz	KHXANDYJGSZWSM-UGSXWIGGSA-N	0	0	316.485	5.280	1	30		DKEFRN
C/C1=C\C=C(/C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC/C(C)=C\CC1	ZINC000169369399	197746499	/nfs/dbraw/zinc/74/64/99/197746499.db2.gz	KBVHBTUQNQIBFR-XACVZCTGSA-N	0	0	304.474	5.088	1	30		DKEFRN
CC1=C2CC/C(C)=C\CC[C@@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1	ZINC000169370876	197745906	/nfs/dbraw/zinc/74/59/06/197745906.db2.gz	OQGXDKRHMBRZCS-DSLDZKCOSA-N	0	0	302.458	5.106	1	30		DKEFRN
C/C1=C\C=C(/C(C)(C)O)CC[C@H](C)CC(=O)/C=C(/C)CCC1	ZINC000195104039	201340256	/nfs/dbraw/zinc/34/02/56/201340256.db2.gz	GHADJBJUJGZEFC-HYKOQQCMSA-N	0	0	304.474	5.136	1	30		DKEFRN
C/C1=C/C=C(/C(C)(C)O)CC[C@H](C)CC(=O)/C=C(/C)CCC1	ZINC000195104048	201340554	/nfs/dbraw/zinc/34/05/54/201340554.db2.gz	GHADJBJUJGZEFC-VJMYGUNXSA-N	0	0	304.474	5.136	1	30		DKEFRN
C/C1=C/C=C(\C(C)(C)O)CC[C@H](C)CC(=O)/C=C(/C)CCC1	ZINC000195104060	201339938	/nfs/dbraw/zinc/33/99/38/201339938.db2.gz	GHADJBJUJGZEFC-AFPCPLFDSA-N	0	0	304.474	5.136	1	30		DKEFRN
C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC[C@H]12	ZINC000195110475	201340928	/nfs/dbraw/zinc/34/09/28/201340928.db2.gz	RCAHBKAGTYTMES-JJMFJNEWSA-N	0	0	300.442	5.277	1	30		DKEFRN
C/C=C/C(=O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1	ZINC000195273837	201370306	/nfs/dbraw/zinc/37/03/06/201370306.db2.gz	SFXMVBAZWOSRDO-ZMYYYBNDSA-N	0	0	300.518	5.446	1	30		DKEFRN
C=CCCCC1(CCCC=C)CN([Si](C)(C)C(C)(C)C)C1=O	ZINC000195309938	201376824	/nfs/dbraw/zinc/37/68/24/201376824.db2.gz	HYZXTLZHUOREOC-UHFFFAOYSA-N	0	0	321.581	5.533	1	30		DKEFRN
C/C1=C\CC[C@]2(C)O[C@@H]2CC/C(C)=C\C=C(/C(C)(C)O)CC1	ZINC000195438658	201389682	/nfs/dbraw/zinc/38/96/82/201389682.db2.gz	OAWYUCSBLMUTFD-JCODWHDYSA-N	0	0	304.474	5.088	1	30		DKEFRN
C/C1=C\C=C(/C(C)(C)O)CC/C(C)=C/CC[C@]2(C)O[C@@H]2CC1	ZINC000195438662	201389424	/nfs/dbraw/zinc/38/94/24/201389424.db2.gz	OAWYUCSBLMUTFD-HRXIKPBISA-N	0	0	304.474	5.088	1	30		DKEFRN
C/C1=C\CC[C@@]2(C)O[C@@H]2C[C@@H]([C@@]2(C)CO2)CC/C(C)=C\CC1	ZINC000195479042	201394047	/nfs/dbraw/zinc/39/40/47/201394047.db2.gz	MIEWOGXTDVXGTN-AEQUYDIOSA-N	0	0	304.474	5.186	1	30		DKEFRN
C/C1=C\CC/C(C)=C\CC[C@@]2(C)O[C@@H]2C[C@@H]([C@@]2(C)CO2)CC1	ZINC000195479047	201394622	/nfs/dbraw/zinc/39/46/22/201394622.db2.gz	MIEWOGXTDVXGTN-MSRZIIFESA-N	0	0	304.474	5.186	1	30		DKEFRN
C=C(C)[C@H]1CC(=O)/C(C)=C/CC/C(C)=C\CC[C@@]2(C)O[C@@H]2C1	ZINC000195487802	201395441	/nfs/dbraw/zinc/39/54/41/201395441.db2.gz	OEPTXZKKXAKLNP-RGTITBRLSA-N	0	0	302.458	5.152	1	30		DKEFRN
C=C(C)[C@H]1CC(=O)/C(C)=C\CC/C(C)=C\CC[C@@]2(C)O[C@@H]2C1	ZINC000195487806	201395676	/nfs/dbraw/zinc/39/56/76/201395676.db2.gz	OEPTXZKKXAKLNP-QBBCLQKMSA-N	0	0	302.458	5.152	1	30		DKEFRN
CCCCCCCC/C=C/CCCC/C=C/CCCC(=O)OC	ZINC000238735162	340528364	/nfs/dbraw/zinc/52/83/64/340528364.db2.gz	FMHNMYHFFUNJDC-DUWBUDFISA-N	0	0	322.533	6.753	1	30		DKEFRN
OCCCCC#Cc1c2ccccc2sc1-c1ccsc1	ZINC000015935767	182026118	/nfs/dbraw/zinc/02/61/18/182026118.db2.gz	HBIMGMZGWDSELX-UHFFFAOYSA-N	0	0	312.459	5.144	3	30		DKEFRN
COc1ccc([C@H]2CC(=O)C=C(c3cccc(C(C)C)c3)C2)cc1	ZINC000036382267	182821358	/nfs/dbraw/zinc/82/13/58/182821358.db2.gz	PZXCZQVMRDJWON-LJQANCHMSA-N	0	0	320.432	5.349	3	30		DKEFRN
O=C1C=C(/C=C/[C@H]2C=CC=CC2)C[C@@H](c2ccc(Cl)cc2)C1	ZINC000036388350	182822378	/nfs/dbraw/zinc/82/23/78/182822378.db2.gz	FXCUPKLHVBMFQS-XDWWLABZSA-N	0	0	310.824	5.401	3	30		DKEFRN
O=C1C=C(c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)C1	ZINC000036388395	182822591	/nfs/dbraw/zinc/82/25/91/182822591.db2.gz	RLWVPABZDPUCMI-CQSZACIVSA-N	0	0	317.215	5.524	3	30		DKEFRN
Cc1ccc(Cl)cc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1	ZINC000036389319	182822559	/nfs/dbraw/zinc/82/25/59/182822559.db2.gz	NEUDPXNESNZWMN-CQSZACIVSA-N	0	0	314.787	5.318	3	30		DKEFRN
COc1ccc([C@H]2CC(=O)C=C(c3c(C)cc(C)cc3C)C2)cc1	ZINC000036389366	182822309	/nfs/dbraw/zinc/82/23/09/182822309.db2.gz	KWOOETPWGZGRQO-GOSISDBHSA-N	0	0	320.432	5.151	3	30		DKEFRN
CC(C)(C)Cc1c(-c2ccc(C#N)cc2)nc2ccc(Cl)cn21	ZINC000061921026	184195688	/nfs/dbraw/zinc/19/56/88/184195688.db2.gz	GWBRRVNPJBNXMW-UHFFFAOYSA-N	0	0	323.827	5.115	3	30		DKEFRN
C(#Cc1c2ccccc2sc1-c1ccsc1)c1ccsc1	ZINC000061969035	184198854	/nfs/dbraw/zinc/19/88/54/184198854.db2.gz	OICRLZVMYWTEEW-UHFFFAOYSA-N	0	0	322.479	6.091	3	30		DKEFRN
Cc1c2ccccc2n(Cc2ccccc2)c1/N=C/c1ccco1	ZINC000085616559	192518724	/nfs/dbraw/zinc/51/87/24/192518724.db2.gz	JTONHBSNAOKVHG-HYARGMPZSA-N	0	0	314.388	5.342	3	30		DKEFRN