smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F	ZINC000095793142	185383975	/nfs/dbraw/zinc/38/39/75/185383975.db2.gz	TXGPGHBYAPBDAG-UHFFFAOYSA-N	0	0	300.042	4.017	40	30		DIEBRN
Cc1cc2ccccc2n1CC(=O)Nc1sc(C)c(C)c1C#N	ZINC000006964429	190627031	/nfs/dbraw/zinc/62/70/31/190627031.db2.gz	PCJFNOUUQPGAQO-UHFFFAOYSA-N	0	0	323.421	4.138	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NC2(C)CCCCC2)c1	ZINC000225868904	201756724	/nfs/dbraw/zinc/75/67/24/201756724.db2.gz	GBWBZBWPBKDFFK-UHFFFAOYSA-N	0	0	304.459	4.261	40	30		DIEBRN
Cc1ccccc1Cn1c(C#N)cc(N)c1Sc1ccccc1	ZINC000225887862	201759833	/nfs/dbraw/zinc/75/98/33/201759833.db2.gz	LHSQGVSWCYKSJE-UHFFFAOYSA-N	0	0	319.433	4.450	40	30		DIEBRN
COc1ccccc1C(=O)[C@@H]1O[C@H]1c1ccc(Cl)cc1Cl	ZINC000001714701	180891213	/nfs/dbraw/zinc/89/12/13/180891213.db2.gz	QXAFAPYLVMDOHM-HOTGVXAUSA-N	0	0	323.175	4.325	40	30		DIEBRN
N#Cc1nc2c(s1)c(-c1ccccc1)nn2-c1ccccc1	ZINC000003844497	181048677	/nfs/dbraw/zinc/04/86/77/181048677.db2.gz	YGSRXRMNGGGWEE-UHFFFAOYSA-N	0	0	302.362	4.021	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C#N)CC(=O)CC[C@]34C)[C@@H]1CCC2=O	ZINC000004026137	181063333	/nfs/dbraw/zinc/06/33/33/181063333.db2.gz	JLTXGDODGVGDDX-NHWXPXPKSA-N	0	0	313.441	4.061	40	30		DIEBRN
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C(Br)=C2Br	ZINC000004266982	181090269	/nfs/dbraw/zinc/09/02/69/181090269.db2.gz	RISAXLJIPFJKRX-KBUNVGBDSA-N	0	0	322.040	4.013	40	30		DIEBRN
O=[N+]([O-])c1ccc(NN=C2c3ccccc3-c3ccccc32)cc1	ZINC000004273431	181090691	/nfs/dbraw/zinc/09/06/91/181090691.db2.gz	CDEAZMNJVWFKNX-UHFFFAOYSA-N	0	0	315.332	4.440	40	30		DIEBRN
C[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	ZINC000004783183	181150909	/nfs/dbraw/zinc/15/09/09/181150909.db2.gz	QRHBXQAFGLVWFW-BEQVDIJNSA-N	0	0	302.458	4.125	40	30	in-vitro	DIEBRN
O=C(Nc1ccccc1)O/N=C(\c1ccccc1)c1cccnc1	ZINC000005004336	181188975	/nfs/dbraw/zinc/18/89/75/181188975.db2.gz	MOQXANUWTABPMK-RELWKKBWSA-N	0	0	317.348	4.083	40	30		DIEBRN
CC1(C)CC(=O)C(c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21	ZINC000005105018	181203604	/nfs/dbraw/zinc/20/36/04/181203604.db2.gz	VJMDDLDKWTWLFW-UHFFFAOYSA-N	0	0	323.348	4.272	40	30		DIEBRN
CC(=O)Nc1ccc(C(C)=NN=c2[nH]c3ccccc3s2)cc1	ZINC000005369812	181235021	/nfs/dbraw/zinc/23/50/21/181235021.db2.gz	JDVVJYSOPAYZFZ-JAIQZWGSSA-N	0	0	324.409	4.091	40	30		DIEBRN
COc1cccc(/C=N/c2c(C)ccc3nc(C)ccc32)c1O	ZINC000005364183	181235147	/nfs/dbraw/zinc/23/51/47/181235147.db2.gz	IJGDCOASHLPPAR-RGVLZGJSSA-N	0	0	306.365	4.316	40	30		DIEBRN
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3)S2)cc1	ZINC000005376261	181235817	/nfs/dbraw/zinc/23/58/17/181235817.db2.gz	PKHCKRLREGLULP-VBKFSLOCSA-N	0	0	308.406	4.141	40	30		DIEBRN
CCc1ccccc1/N=C1/NC(=O)/C(=C\c2cccs2)S1	ZINC000005376756	181236487	/nfs/dbraw/zinc/23/64/87/181236487.db2.gz	GJDFTLJLEQYVES-GXDHUFHOSA-N	0	0	314.435	4.202	40	30		DIEBRN
CS/C(=N/C#N)S/C=C/C(=O)c1cccc2ccccc21	ZINC000005527636	181253867	/nfs/dbraw/zinc/25/38/67/181253867.db2.gz	QLWCLXSQTYEDPY-SZFGMXQASA-N	0	0	312.419	4.469	40	30		DIEBRN
O=C(/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCCCO2	ZINC000005512962	181251735	/nfs/dbraw/zinc/25/17/35/181251735.db2.gz	QJLNWEQOQFYFAY-WEVVVXLNSA-N	0	0	312.340	4.273	40	30		DIEBRN
O=C1C=C(Sc2nc3ccccc3s2)C(=O)c2ccccc21	ZINC000005604719	181262938	/nfs/dbraw/zinc/26/29/38/181262938.db2.gz	BRUNYMRGIOEXKB-UHFFFAOYSA-N	0	0	323.398	4.352	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(C)cc2Cl)c1	ZINC000192327597	200855000	/nfs/dbraw/zinc/85/50/00/200855000.db2.gz	RMGXOEPECSLVIW-UHFFFAOYSA-N	0	0	301.773	4.466	40	30		DIEBRN
N#Cc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1	ZINC000006399480	181337662	/nfs/dbraw/zinc/33/76/62/181337662.db2.gz	BEXUZZFPSYWJNZ-UHFFFAOYSA-N	0	0	313.363	4.227	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccccc2)c(Cl)c1	ZINC000216812445	201500186	/nfs/dbraw/zinc/50/01/86/201500186.db2.gz	XXXUAXOEJPWOID-UHFFFAOYSA-N	0	0	302.757	4.262	40	30		DIEBRN
Cc1cc(Cl)ccc1NN=C1c2cc(Cl)ccc2NC1=O	ZINC000223740767	201654970	/nfs/dbraw/zinc/65/49/70/201654970.db2.gz	BTCZMHJBHAPRRZ-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2)c1	ZINC000008481127	181558679	/nfs/dbraw/zinc/55/86/79/181558679.db2.gz	VVAGPHLGJDEARN-GOSISDBHSA-N	0	0	311.381	4.048	40	30		DIEBRN
CCc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	ZINC000014258586	181947094	/nfs/dbraw/zinc/94/70/94/181947094.db2.gz	IAWYOIGJWWLGSU-UHFFFAOYSA-N	0	0	310.422	4.313	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2ccccc2SC)ccc1OC	ZINC000014398544	181950313	/nfs/dbraw/zinc/95/03/13/181950313.db2.gz	ULBZZXKBYZSPSE-UHFFFAOYSA-N	0	0	313.422	4.398	40	30		DIEBRN
CCOc1cc(C=O)cc(Cl)c1OCc1ccc(C#N)cc1	ZINC000015423249	182001126	/nfs/dbraw/zinc/00/11/26/182001126.db2.gz	FFSVHFFTCRPNRG-UHFFFAOYSA-N	0	0	315.756	4.002	40	30		DIEBRN
CCc1ccc(C(=O)C[C@@H](c2ccccc2)C(C#N)C#N)cc1	ZINC000016161485	182036018	/nfs/dbraw/zinc/03/60/18/182036018.db2.gz	UUIRQMIRAQOZIV-IBGZPJMESA-N	0	0	302.377	4.269	40	30		DIEBRN
N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCCCC2	ZINC000016492377	182047882	/nfs/dbraw/zinc/04/78/82/182047882.db2.gz	XZLFYXRFSPQUIM-UHFFFAOYSA-N	0	0	301.393	4.338	40	30		DIEBRN
Cc1cccc(N2CCC/C2=N\C(=S)Nc2ccccc2)c1	ZINC000016740064	182059375	/nfs/dbraw/zinc/05/93/75/182059375.db2.gz	AENOLAUTQYRAFA-LVZFUZTISA-N	0	0	309.438	4.391	40	30		DIEBRN
Nc1cc(Cl)c(Cl)cc1/N=C/c1ccccc1[N+](=O)[O-]	ZINC000016930453	182065125	/nfs/dbraw/zinc/06/51/25/182065125.db2.gz	SAECVQAIPLRJPK-REZTVBANSA-N	0	0	310.140	4.234	40	30		DIEBRN
CN(C)/N=C1\CCCC[C@@H]1C(O)(c1ccccc1)c1ccccc1	ZINC000016952585	182065944	/nfs/dbraw/zinc/06/59/44/182065944.db2.gz	GHABZPGWMZILRE-QGWGWZPUSA-N	0	0	322.452	4.030	40	30		DIEBRN
O=C(/C=C\c1ccccc1)c1cc(Br)ccc1[O-]	ZINC000017315903	182083068	/nfs/dbraw/zinc/08/30/68/182083068.db2.gz	JPVAYWFGQZDOGG-VURMDHGXSA-N	0	0	303.155	4.051	40	30		DIEBRN
N#CC1(NNC2(C#N)CCCCCCC2)CCCCCCC1	ZINC000019170539	182106471	/nfs/dbraw/zinc/10/64/71/182106471.db2.gz	VRWMHVXGUZAZTN-UHFFFAOYSA-N	0	0	302.466	4.094	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1C	ZINC000020672597	182242426	/nfs/dbraw/zinc/24/24/26/182242426.db2.gz	QEHYHVKALABHNR-LJQANCHMSA-N	0	0	317.392	4.223	40	30		DIEBRN
C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N/c1ccc(C)cc1	ZINC000028627957	182531423	/nfs/dbraw/zinc/53/14/23/182531423.db2.gz	XZHOCGXZAUHELW-IRYZSLSISA-N	0	0	324.405	4.378	40	30		DIEBRN
O=C1Nc2ccc(F)cc2C1=NNc1cccc(C(F)(F)F)c1	ZINC000058628014	184125760	/nfs/dbraw/zinc/12/57/60/184125760.db2.gz	LRBVITOSBBMSMI-UHFFFAOYSA-N	0	0	323.249	4.262	40	30		DIEBRN
C(#Cc1cc2nonc2c(C#Cc2ccccc2)c1)c1ccccc1	ZINC000066088736	184388337	/nfs/dbraw/zinc/38/83/37/184388337.db2.gz	MKHRQXGSMFOWNL-UHFFFAOYSA-N	0	0	320.351	4.022	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118933754	194942403	/nfs/dbraw/zinc/94/24/03/194942403.db2.gz	RSPVYDFKEFBSTK-WMUQSPHGSA-N	0	0	320.448	4.217	40	30		DIEBRN
O/N=C(\CC(O)(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000104106536	256578225	/nfs/dbraw/zinc/57/82/25/256578225.db2.gz	QBVVFBCSKNKQBS-LSDHQDQOSA-N	0	0	317.388	4.191	40	30		DIEBRN
C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(CC#N)cc1	ZINC000225513354	256595977	/nfs/dbraw/zinc/59/59/77/256595977.db2.gz	WOHSSGGUDMOGHU-OAHLLOKOSA-N	0	0	323.465	4.060	40	30		DIEBRN
C/N=C1/S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1C	ZINC000059104813	257217315	/nfs/dbraw/zinc/21/73/15/257217315.db2.gz	ZUHKKWWYRSIENW-MPOVVXLQSA-N	0	0	324.405	4.011	40	30		DIEBRN
Cc1sc(NC(=O)c2cccc(OC(C)C)c2)c(C#N)c1C	ZINC000009142107	257217966	/nfs/dbraw/zinc/21/79/66/257217966.db2.gz	LHRGQSIATXCRHL-UHFFFAOYSA-N	0	0	314.410	4.276	40	30		DIEBRN
CCc1cccc2c(C#N)cn(CCOc3ccc(F)cc3)c21	ZINC000409204510	257220743	/nfs/dbraw/zinc/22/07/43/257220743.db2.gz	HNZHMSNCMFEMFF-UHFFFAOYSA-N	0	0	308.356	4.293	40	30		DIEBRN
COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(O)cc1	ZINC000409233773	257220857	/nfs/dbraw/zinc/22/08/57/257220857.db2.gz	XBBPLYNZQITSMH-XSFVSMFZSA-N	0	0	310.397	4.142	40	30		DIEBRN
Cc1cc(NC=C2CCC[C@H](C)C2=O)ccc1Br	ZINC000409173028	257221381	/nfs/dbraw/zinc/22/13/81/257221381.db2.gz	KSFVPOBIMHOFOM-JMZICWNOSA-N	0	0	308.219	4.442	40	30		DIEBRN
N#Cc1ccc(NC(=O)CSc2cccc3ccccc32)cc1	ZINC000409176588	257221410	/nfs/dbraw/zinc/22/14/10/257221410.db2.gz	RRXLNPTWIXIULE-UHFFFAOYSA-N	0	0	318.401	4.442	40	30		DIEBRN
C=CCc1cc(CO)cc(OC)c1OCc1ccc(Cl)cc1	ZINC000409119054	257222093	/nfs/dbraw/zinc/22/20/93/257222093.db2.gz	RDRBSSUKMKZSGW-UHFFFAOYSA-N	0	0	318.800	4.148	40	30		DIEBRN
CCOc1cc2c(cc1/C=N\c1ccc(F)c(C)c1)OCO2	ZINC000409105083	257222855	/nfs/dbraw/zinc/22/28/55/257222855.db2.gz	JBHNYCVUXFQGFV-OCKHKDLRSA-N	0	0	301.317	4.012	40	30		DIEBRN
CC(C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000409084341	257223484	/nfs/dbraw/zinc/22/34/84/257223484.db2.gz	CQFZWRIVNPEDBS-ZVBGSRNCSA-N	0	0	323.318	4.334	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N\c1cccc(C(=O)OC)c1	ZINC000409095229	257223713	/nfs/dbraw/zinc/22/37/13/257223713.db2.gz	HBDFLDXRFOZEQG-ODLFYWEKSA-N	0	0	317.772	4.276	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1ccc2snnc2c1	ZINC000408996466	257224928	/nfs/dbraw/zinc/22/49/28/257224928.db2.gz	PGRNXHFPOOXQTR-UHFFFAOYSA-N	0	0	322.503	4.338	40	30		DIEBRN
CCOc1ccc(/C=N/c2oc(C)c(C)c2C#N)cc1OCC	ZINC000408918180	257225118	/nfs/dbraw/zinc/22/51/18/257225118.db2.gz	HGTULPHIQIBCFU-RGVLZGJSSA-N	0	0	312.369	4.316	40	30		DIEBRN
Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccco2)S1	ZINC000408882159	257225809	/nfs/dbraw/zinc/22/58/09/257225809.db2.gz	LKYMDLPGJJQWRQ-JYRVWZFOSA-N	0	0	318.785	4.133	40	30		DIEBRN
CC[C@H](C)Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408911913	257225853	/nfs/dbraw/zinc/22/58/53/257225853.db2.gz	OXVKLLKJKQYQKR-CYUIRQCWSA-N	0	0	313.357	4.218	40	30		DIEBRN
C=CCn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000408913206	257225854	/nfs/dbraw/zinc/22/58/54/257225854.db2.gz	UDBQONRIUPMDIF-UNOMPAQXSA-N	0	0	320.352	4.182	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccccc2)c1	ZINC000408848193	257225878	/nfs/dbraw/zinc/22/58/78/257225878.db2.gz	QLYXPRNTHLTGOO-QNGOZBTKSA-N	0	0	318.376	4.405	40	30		DIEBRN
Cc1cc(/N=C\c2ccc(N3CCCC3)o2)cc([N+](=O)[O-])c1C	ZINC000408851680	257225883	/nfs/dbraw/zinc/22/58/83/257225883.db2.gz	MICURPSJCWCQFW-WQRHYEAKSA-N	0	0	313.357	4.155	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N/c2ccccc2OC)cc1	ZINC000408851727	257226124	/nfs/dbraw/zinc/22/61/24/257226124.db2.gz	NDTUELJFJAANFN-XSFVSMFZSA-N	0	0	306.365	4.245	40	30		DIEBRN
CN(C)c1ccc(-n2cccc2/C=N/c2cccc(F)c2)cc1	ZINC000408857103	257226182	/nfs/dbraw/zinc/22/61/82/257226182.db2.gz	MZRXTYIFDWQOES-KGENOOAVSA-N	0	0	307.372	4.433	40	30		DIEBRN
CCOc1ccc(/C(C)=N/NCc2ccccc2Cl)cc1	ZINC000408710568	257227600	/nfs/dbraw/zinc/22/76/00/257227600.db2.gz	JKKPNODJQFHCPY-DEDYPNTBSA-N	0	0	302.805	4.253	40	30		DIEBRN
Oc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1	ZINC000408722714	257228143	/nfs/dbraw/zinc/22/81/43/257228143.db2.gz	MQONPBZRUMJQSQ-YBFXNURJSA-N	0	0	306.390	4.365	40	30		DIEBRN
COc1ccc(/C=N/OCc2ccccc2C#N)c2ccccc12	ZINC000408593037	257228992	/nfs/dbraw/zinc/22/89/92/257228992.db2.gz	OICBGBVKUDZRLY-LPYMAVHISA-N	0	0	316.360	4.271	40	30		DIEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccccc3)o2)c1	ZINC000408595412	257229030	/nfs/dbraw/zinc/22/90/30/257229030.db2.gz	WRAGRSACCZYDEJ-XDHOZWIPSA-N	0	0	322.320	4.406	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1cccc(C(F)(F)F)c1	ZINC000408596442	257229032	/nfs/dbraw/zinc/22/90/32/257229032.db2.gz	ZGEQGZGGBZKGLW-UFFVCSGVSA-N	0	0	304.271	4.128	40	30		DIEBRN
C=CCOc1cccc(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000408590779	257229046	/nfs/dbraw/zinc/22/90/46/257229046.db2.gz	QJWABSJYTDJORR-LDADJPATSA-N	0	0	309.394	4.307	40	30		DIEBRN
COc1cc(C)c(/C=N\c2ccc(Cl)cc2O)cc1OC	ZINC000408548915	257230097	/nfs/dbraw/zinc/23/00/97/257230097.db2.gz	NHHDHQQAMOHHHP-NVMNQCDNSA-N	0	0	305.761	4.122	40	30		DIEBRN
Cc1cccc(/N=C\c2ccccc2I)c1	ZINC000408551186	257230259	/nfs/dbraw/zinc/23/02/59/257230259.db2.gz	MCAKRKIMBRURDF-YBEGLDIGSA-N	0	0	321.161	4.350	40	30		DIEBRN
Cc1c(Cl)cccc1NC(=S)Nc1ccc(C#N)cc1	ZINC000071761777	331922797	/nfs/dbraw/zinc/92/27/97/331922797.db2.gz	SEEKMMFTGXBRQZ-UHFFFAOYSA-N	0	0	301.802	4.329	40	30		DIEBRN
CCOC(=O)c1ccccc1N=Cc1ccc2ccccc2c1O	ZINC000260840616	333624087	/nfs/dbraw/zinc/62/40/87/333624087.db2.gz	MZGQMGTXDKZCTJ-UHFFFAOYSA-N	0	0	319.360	4.473	40	30		DIEBRN
N#Cc1cnc(C(=O)NCCC2=CCCCCC2)c(Cl)c1	ZINC000329874904	336091439	/nfs/dbraw/zinc/09/14/39/336091439.db2.gz	GBVCBTOAAZNKGX-UHFFFAOYSA-N	0	0	303.793	4.192	40	30		DIEBRN
C/C(=N/N=c1/sc2ccccc2n1C)c1ccccc1Cl	ZINC000006235083	518451859	/nfs/dbraw/zinc/45/18/59/518451859.db2.gz	SYAIJMQPRANUKV-JUQPQYPPSA-N	0	0	315.829	4.218	40	30		DIEBRN
CC(N=NC(=S)NCc1ccccc1)c1ccc(Cl)cc1	ZINC000008684165	518459885	/nfs/dbraw/zinc/45/98/85/518459885.db2.gz	KAPNTNCOCCNYHW-XDHOZWIPSA-N	0	0	317.845	4.140	40	30		DIEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(OC)ccc1OC)C2	ZINC000027232868	518658544	/nfs/dbraw/zinc/65/85/44/518658544.db2.gz	NPXCGKOTIVSUNS-BFUOFWGJSA-N	0	0	315.413	4.025	40	30		DIEBRN
C=CCC1=C(C)[C@@H](OC(=O)/C=C\c2ccccc2Cl)CC1=O	ZINC000017160686	518691123	/nfs/dbraw/zinc/69/11/23/518691123.db2.gz	SDQAOKBAZBWUMM-IBSYWUHOSA-N	0	0	316.784	4.130	40	30		DIEBRN
CC(C)(C)OC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000035572214	518834051	/nfs/dbraw/zinc/83/40/51/518834051.db2.gz	IUQYNNDWBGISLN-NSHDSACASA-N	0	0	301.173	4.083	40	30		DIEBRN
CCCCCCCSCc1nc2ccccc2c(C)[n+]1[O-]	ZINC000001682171	520065401	/nfs/dbraw/zinc/06/54/01/520065401.db2.gz	GVPSBAKXCULPDE-UHFFFAOYSA-N	0	0	304.459	4.380	40	30		DIEBRN
CCc1ccc(NN=C(C#N)c2nc3ccccc3s2)cc1	ZINC000034106416	523961669	/nfs/dbraw/zinc/96/16/69/523961669.db2.gz	AGSGMBDKCNHIPN-QNGOZBTKSA-N	0	0	306.394	4.198	40	30		DIEBRN
N#C[C@@H](C(=O)CSc1nc2ccccc2s1)c1ccccc1	ZINC000026511368	526491789	/nfs/dbraw/zinc/49/17/89/526491789.db2.gz	OTNDGQBGICETGU-CYBMUJFWSA-N	0	0	324.430	4.265	40	30		DIEBRN
CCCC(C1C(=O)CC(C)CC1=O)C1C(=O)CC(C)CC1=O	ZINC000104262100	563563758	/nfs/dbraw/zinc/56/37/58/563563758.db2.gz	MFZJEKFZJKTTSN-GHMZBOCLSA-N	0	0	306.402	4.025	40	30		DIEBRN
CC1=C/C(=N\NC(=S)Nc2ccccc2C(F)(F)F)CC1	ZINC000007039897	563336050	/nfs/dbraw/zinc/33/60/50/563336050.db2.gz	YPEYOLUOCRLOSH-GRSHGNNSSA-N	0	0	313.348	4.088	40	30		DIEBRN
CC[C@@H](C)c1ccc(NC(=S)N[C@@H](C)[C@@H]2CCCO2)cc1	ZINC000013497537	563382696	/nfs/dbraw/zinc/38/26/96/563382696.db2.gz	VZNJKBBAYIQBMP-WWGRRREGSA-N	0	0	306.475	4.465	40	30		DIEBRN
Clc1cc(Cl)c(NN=Cc2cccnc2)c(Cl)c1	ZINC000033398984	563445800	/nfs/dbraw/zinc/44/58/00/563445800.db2.gz	LKJHTHHRSFMKMJ-IDUWFGFVSA-N	0	0	300.576	4.488	40	30		DIEBRN
Oc1ccc(Cl)cc1/C=N/c1ccccc1N1CCCC1	ZINC000000569762	563267320	/nfs/dbraw/zinc/26/73/20/563267320.db2.gz	PFBQIRDGBYRKAP-XDHOZWIPSA-N	0	0	300.789	4.396	40	30		DIEBRN
COc1cc(Br)c(/C=N/c2ccccc2)cc1OC	ZINC000008106810	563344815	/nfs/dbraw/zinc/34/48/15/563344815.db2.gz	CDXQOERZWIVXOC-LICLKQGHSA-N	0	0	320.186	4.217	40	30		DIEBRN
CN(C)c1ccc(/C=C/C(=O)/C=C\c2ccc(N(C)C)cc2)cc1	ZINC000008653681	563348476	/nfs/dbraw/zinc/34/84/76/563348476.db2.gz	JWTSVUUPJIIXTO-CKOAPEAFSA-N	0	0	320.436	4.114	40	30		DIEBRN
C/C(=N\Oc1cc([N+](=O)[O-])cc(-n2cccc2)c1)c1ccccc1	ZINC000012846483	563374697	/nfs/dbraw/zinc/37/46/97/563374697.db2.gz	CBGJXSGTZFMVOI-XMHGGMMESA-N	0	0	321.336	4.189	40	30		DIEBRN
O=C(/C=C/Oc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000016399497	563412245	/nfs/dbraw/zinc/41/22/45/563412245.db2.gz	WIDFWSIDGFZUBJ-CMDGGOBGSA-N	0	0	303.701	4.024	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@]5(CO5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000017375934	563414694	/nfs/dbraw/zinc/41/46/94/563414694.db2.gz	YCSDPVROPBHVSJ-DVEALZNXSA-N	0	0	304.474	4.159	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC(C=O)=C2O	ZINC000118926562	563419572	/nfs/dbraw/zinc/41/95/72/563419572.db2.gz	LIURKLQQPKKGSQ-HJMYBSDQSA-N	0	0	318.457	4.011	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118918349	563419631	/nfs/dbraw/zinc/41/96/31/563419631.db2.gz	KCZCIYZKSLLNNH-DGYMNTLUSA-N	0	0	322.876	4.446	40	30		DIEBRN
CCOC(=O)c1cccc(NC(C)=CC(=O)c2ccccc2)c1	ZINC000032100283	563441508	/nfs/dbraw/zinc/44/15/08/563441508.db2.gz	IJOYCGFKVRTQHV-WYMLVPIESA-N	0	0	309.365	4.062	40	30		DIEBRN
Cc1ccc(-c2c3oc4ccccc4c3[nH]c(=O)c2C#N)cc1	ZINC000004625348	563470680	/nfs/dbraw/zinc/47/06/80/563470680.db2.gz	WMHGIUJSXFGAGH-UHFFFAOYSA-N	0	0	300.317	4.121	40	30		DIEBRN
CC[C@@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)c(C#N)c1	ZINC000225788255	563483082	/nfs/dbraw/zinc/48/30/82/563483082.db2.gz	KVMVQWPCTYYMQE-CYBMUJFWSA-N	0	0	300.402	4.254	40	30		DIEBRN
C=CCOc1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1	ZINC000222936653	563525666	/nfs/dbraw/zinc/52/56/66/563525666.db2.gz	ZNDKCQMQPIRCOM-UHFFFAOYSA-N	0	0	309.409	4.440	40	30		DIEBRN
Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000100203423	563547547	/nfs/dbraw/zinc/54/75/47/563547547.db2.gz	JVPIANCRNNSYMQ-PXNMLYILSA-N	0	0	319.704	4.215	40	30		DIEBRN
C[C@H]1CCc2c(C#N)c(/N=C/c3ccc4c(c3)OCO4)sc2C1	ZINC000100551108	563551909	/nfs/dbraw/zinc/55/19/09/563551909.db2.gz	HYEBISGQKDCLRJ-QQZXWGPFSA-N	0	0	324.405	4.224	40	30		DIEBRN
CC(C)(C)c1cc(NC=CC(=O)c2ccc(Cl)cc2)no1	ZINC000100661740	563552683	/nfs/dbraw/zinc/55/26/83/563552683.db2.gz	RTPFXBXNGVVZEL-HJWRWDBZSA-N	0	0	304.777	4.434	40	30		DIEBRN
Cc1ncc([N+](=O)[O-])n1[C@@H]1CCCCCCCCCC/C1=N/O	ZINC000100966167	563555395	/nfs/dbraw/zinc/55/53/95/563555395.db2.gz	PTGSDVXFSZWWSL-SULWINFOSA-N	0	0	322.409	4.386	40	30		DIEBRN
C[C@@H](O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000104346464	563564280	/nfs/dbraw/zinc/56/42/80/563564280.db2.gz	NQUWVDWNFTXZNH-QPKGHXOUSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@H](O)[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000104346451	563564520	/nfs/dbraw/zinc/56/45/20/563564520.db2.gz	NQUWVDWNFTXZNH-GJMOWOBSSA-N	0	0	302.458	4.125	40	30		DIEBRN
C=CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1	ZINC000223619960	563565050	/nfs/dbraw/zinc/56/50/50/563565050.db2.gz	XAGRORLMYDOYPJ-UHFFFAOYSA-N	0	0	319.763	4.225	40	30		DIEBRN
CC[C@H](C)n1nc(OCc2cccc3ccccc32)c(C#N)c1N	ZINC000225834062	563580329	/nfs/dbraw/zinc/58/03/29/563580329.db2.gz	WXWKNKSIEIZWSH-ZDUSSCGKSA-N	0	0	320.396	4.040	40	30		DIEBRN
C=CCc1cc(C(=O)NC[C@H](CC)CCCC)ccc1OC	ZINC000224126033	563594104	/nfs/dbraw/zinc/59/41/04/563594104.db2.gz	NPSRXMZMFBHNGO-OAHLLOKOSA-N	0	0	303.446	4.370	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1	ZINC000225868335	563604496	/nfs/dbraw/zinc/60/44/96/563604496.db2.gz	PLMTUPQHNPXURT-UHFFFAOYSA-N	0	0	316.470	4.261	40	30		DIEBRN
COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Cl)c1O	ZINC000000070551	563628830	/nfs/dbraw/zinc/62/88/30/563628830.db2.gz	PSKPXAJORRTLOV-RIYZIHGNSA-N	0	0	318.781	4.384	40	30		DIEBRN
COc1cc(/C=N/c2ccc3ccccc3c2)cc(OC)c1O	ZINC000100325043	563629752	/nfs/dbraw/zinc/62/97/52/563629752.db2.gz	ADLDNGOHDJHIMT-UDWIEESQSA-N	0	0	307.349	4.313	40	30		DIEBRN
CCCCCCCc1nnc(NC(=O)c2ccccc2)s1	ZINC000100542660	563631766	/nfs/dbraw/zinc/63/17/66/563631766.db2.gz	QDBYUAWYZICQEP-UHFFFAOYSA-N	0	0	303.431	4.303	40	30		DIEBRN
Cc1ccc([N+](=O)[O-])cc1NC=C1CCc2ccccc2C1=O	ZINC000100572742	563632300	/nfs/dbraw/zinc/63/23/00/563632300.db2.gz	BTYKHUQNQOBOOW-KAMYIIQDSA-N	0	0	308.337	4.028	40	30		DIEBRN
CN(C)c1ccc(/C=N/c2ccc(N3CCCCC3)cc2)cc1	ZINC000003038392	563635480	/nfs/dbraw/zinc/63/54/80/563635480.db2.gz	ZICJJHCLIATPLU-LTGZKZEYSA-N	0	0	307.441	4.494	40	30		DIEBRN
Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccco2)S1	ZINC000008277679	563642179	/nfs/dbraw/zinc/64/21/79/563642179.db2.gz	XYDXFJLYAHAFLG-MDWZMJQESA-N	0	0	318.785	4.133	40	30		DIEBRN
C=C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927646	563676492	/nfs/dbraw/zinc/67/64/92/563676492.db2.gz	OGEYIYINQNEDRP-OGNRNXDYSA-N	0	0	316.485	4.227	40	30		DIEBRN
Cc1cc(C)cc(CSCC(=O)Nc2ccc(CC#N)cc2)c1	ZINC000119719194	563676713	/nfs/dbraw/zinc/67/67/13/563676713.db2.gz	YEUNAIFLOPTAQQ-UHFFFAOYSA-N	0	0	324.449	4.241	40	30		DIEBRN
C=C1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]32)C[C@H]1O	ZINC000118933746	563689761	/nfs/dbraw/zinc/68/97/61/563689761.db2.gz	CSAYBUZKHPFVBW-CCOGIYSMSA-N	0	0	318.501	4.307	40	30		DIEBRN
Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1O	ZINC000007930447	563717574	/nfs/dbraw/zinc/71/75/74/563717574.db2.gz	BKJICMXAEMNNPC-XSFVSMFZSA-N	0	0	304.349	4.270	40	30		DIEBRN
CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(CC#N)cc1	ZINC000222980476	563729752	/nfs/dbraw/zinc/72/97/52/563729752.db2.gz	SOEXXDLNJFLPPK-LJQANCHMSA-N	0	0	322.408	4.166	40	30		DIEBRN
CC1(C)COc2ccc(C(=O)/C=C/c3cccs3)cc2OC1	ZINC000225372326	563753390	/nfs/dbraw/zinc/75/33/90/563753390.db2.gz	NZSGACCJXGUPGH-VOTSOKGWSA-N	0	0	314.406	4.442	40	30		DIEBRN
COc1ccc([N+](=O)[O-])cc1/N=C/c1c(C)n(C)c2ccccc12	ZINC000059302753	563771624	/nfs/dbraw/zinc/77/16/24/563771624.db2.gz	QUAKRPDOUSAQQF-YBFXNURJSA-N	0	0	323.352	4.154	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@]3(C)[C@H](CC[C@]3(C)O)[C@@H]12	ZINC000263605459	563794804	/nfs/dbraw/zinc/79/48/04/563794804.db2.gz	PTQMMNYJKCSPET-WOPIXSAKSA-N	0	0	302.458	4.125	40	30		DIEBRN
C=C[C@]1(C)C=C2[C@H](CC1)[C@]1(CO)CCCC(C)(C)[C@H]1C[C@@H]2O	ZINC000104270002	563831911	/nfs/dbraw/zinc/83/19/11/563831911.db2.gz	LLFMTZAPZGDWMG-VBYALHQYSA-N	0	0	304.474	4.085	40	30		DIEBRN
C=CCSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1	ZINC000004365777	563831941	/nfs/dbraw/zinc/83/19/41/563831941.db2.gz	IWPQXROREYDGSQ-UHFFFAOYSA-N	0	0	321.449	4.445	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C	ZINC000104395615	563832137	/nfs/dbraw/zinc/83/21/37/563832137.db2.gz	BFJGDRRSEQORFA-ALGQRKQJSA-N	0	0	312.453	4.468	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(OCCC)cc2)cc1	ZINC000008104700	563834299	/nfs/dbraw/zinc/83/42/99/563834299.db2.gz	FGXFKDICSLSUNR-UHFFFAOYSA-N	0	0	311.381	4.293	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CCc2ccccc2Cl)c1	ZINC000010458214	563836861	/nfs/dbraw/zinc/83/68/61/563836861.db2.gz	DKPSLWCWPYOBGX-UHFFFAOYSA-N	0	0	315.800	4.476	40	30		DIEBRN
C=CCc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OC	ZINC000013613453	563839147	/nfs/dbraw/zinc/83/91/47/563839147.db2.gz	ZWDXCRBMLVKLMK-CQSZACIVSA-N	0	0	307.393	4.015	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(OCCC)cc2)c1	ZINC000014783764	563839323	/nfs/dbraw/zinc/83/93/23/563839323.db2.gz	XWGBHISKBTVXRS-UHFFFAOYSA-N	0	0	311.381	4.293	40	30		DIEBRN
N#Cc1c(NCc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	ZINC000000562946	563843931	/nfs/dbraw/zinc/84/39/31/563843931.db2.gz	KSWPXKVQTZRIGI-UHFFFAOYSA-N	0	0	313.382	4.019	40	30		DIEBRN
CC(C)=CC(=O)Nc1sc(=S)c2c(c1C#N)CCCC2	ZINC000001522187	563851094	/nfs/dbraw/zinc/85/10/94/563851094.db2.gz	IJCNUJHZJWYWLV-UHFFFAOYSA-N	0	0	304.440	4.133	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1	ZINC000113955863	563857670	/nfs/dbraw/zinc/85/76/70/563857670.db2.gz	QCYREASBFMZYAK-MRXNPFEDSA-N	0	0	309.409	4.359	40	30		DIEBRN
C=CCSc1ccccc1C(=O)Nc1cccc(C(C)=O)c1	ZINC000219806118	563869047	/nfs/dbraw/zinc/86/90/47/563869047.db2.gz	HHVYSKIOCBWEDN-UHFFFAOYSA-N	0	0	311.406	4.420	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000226256496	563913192	/nfs/dbraw/zinc/91/31/92/563913192.db2.gz	DKZKVAILNIFGEU-VMPITWQZSA-N	0	0	306.720	4.482	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1OCC	ZINC000006960566	563921808	/nfs/dbraw/zinc/92/18/08/563921808.db2.gz	JRTMPNWCCYPRRX-KGENOOAVSA-N	0	0	307.393	4.465	40	30		DIEBRN
C=CCOc1ccc(C(=O)NCCSC2CCCCC2)cc1	ZINC000008041190	563922100	/nfs/dbraw/zinc/92/21/00/563922100.db2.gz	NIUBKXQGEIRCSL-UHFFFAOYSA-N	0	0	319.470	4.047	40	30		DIEBRN
COc1ccc(/N=C/c2cc(Cl)c(OC)c(OC)c2)cc1	ZINC000008116398	563922238	/nfs/dbraw/zinc/92/22/38/563922238.db2.gz	QZMFSQBBHUHJJS-VCHYOVAHSA-N	0	0	305.761	4.116	40	30		DIEBRN
N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(OC(F)(F)F)c1	ZINC000008703017	563927580	/nfs/dbraw/zinc/92/75/80/563927580.db2.gz	MIQLWXLBALNWSL-UHFFFAOYSA-N	0	0	323.230	4.109	40	30		DIEBRN
CCOc1cc(C#N)cc(Cl)c1OCc1ccc(C)cc1	ZINC000011864489	563928483	/nfs/dbraw/zinc/92/84/83/563928483.db2.gz	JSHBASQOESETFX-UHFFFAOYSA-N	0	0	301.773	4.498	40	30		DIEBRN
N#Cc1cccc(NC(=O)C23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)c1	ZINC000012615337	563928754	/nfs/dbraw/zinc/92/87/54/563928754.db2.gz	NFYOYBNIYYHCMJ-MWABVPJASA-N	0	0	314.816	4.075	40	30		DIEBRN
CCCCCn1c(C#N)cc(N)c1Cc1cccc(Cl)c1	ZINC000225852984	563939030	/nfs/dbraw/zinc/93/90/30/563939030.db2.gz	FOFVYFBIGILQBM-UHFFFAOYSA-N	0	0	301.821	4.376	40	30		DIEBRN
CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccc1	ZINC000030882447	563943915	/nfs/dbraw/zinc/94/39/15/563943915.db2.gz	RPNCYRQMRFCONM-AABGKKOBSA-N	0	0	324.468	4.461	40	30	biogenic,in-vitro	DIEBRN
N#Cc1c(N)ncc(-c2ccccc2)c1-c1c(F)cccc1Cl	ZINC000408977022	563960575	/nfs/dbraw/zinc/96/05/75/563960575.db2.gz	CDPISNBKFYQMKB-UHFFFAOYSA-N	0	0	323.758	4.662	40	30		DIEBRN
N#C[C@@H]1CCC[C@](CCc2ccccc2)(c2ccccc2)C1=O	ZINC000001564929	568412291	/nfs/dbraw/zinc/41/22/91/568412291.db2.gz	CQZPUJPZJWTUIE-RXVVDRJESA-N	0	0	303.405	4.450	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OC	ZINC000044901841	568417497	/nfs/dbraw/zinc/41/74/97/568417497.db2.gz	VHAWIAOKPUXMEQ-IBGZPJMESA-N	0	0	321.420	4.231	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1	ZINC000225328222	1039316212	/nfs/dbraw/zinc/31/62/12/1039316212.db2.gz	HXLIQDYODSIRLZ-UHFFFAOYSA-N	0	0	306.475	4.218	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1	ZINC000105453583	1041274470	/nfs/dbraw/zinc/27/44/70/1041274470.db2.gz	SJPFJIJCFFGOLA-UHFFFAOYSA-N	0	0	324.852	4.145	40	30		DIEBRN
CS/C(=N\c1ccccc1)N(C)c1cnc(SC)s1	ZINC000006490404	1041712853	/nfs/dbraw/zinc/71/28/53/1041712853.db2.gz	WOQAZZIYBWGXNT-QINSGFPZSA-N	0	0	309.485	4.352	40	30		DIEBRN
C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C/C1=N\O	ZINC000118916183	1041937155	/nfs/dbraw/zinc/93/71/55/1041937155.db2.gz	KHGGBQIXVJTINV-ZSBMFDPASA-N	0	0	319.489	4.466	40	30		DIEBRN
Cc1nn(CCC#N)c2nc3c(Cl)cccc3c(Cl)c12	ZINC000255189323	1042485231	/nfs/dbraw/zinc/48/52/31/1042485231.db2.gz	PDPBWNFUFYIVIP-UHFFFAOYSA-N	0	0	305.168	4.113	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NCc2cccc(C)c2)c1	ZINC000225428103	1044424384	/nfs/dbraw/zinc/42/43/84/1044424384.db2.gz	KDRLKYHGISTFGT-UHFFFAOYSA-N	0	0	312.438	4.046	40	30		DIEBRN
Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)c1	ZINC000225880190	1044433012	/nfs/dbraw/zinc/43/30/12/1044433012.db2.gz	LQILFBWAXAJVJP-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
CC1(C)OC12[C@@H]1c3ccccc3[C@H]2c2c1c(F)c(F)c(F)c2F	ZINC000045071234	1049968525	/nfs/dbraw/zinc/96/85/25/1049968525.db2.gz	PFYJAZHNIKGXQE-HWRGOXINSA-N	0	0	320.285	4.381	40	30		DIEBRN
COc1cccc(/C=N/O)c1OCc1cccc2ccccc21	ZINC000011887042	1054643829	/nfs/dbraw/zinc/64/38/29/1054643829.db2.gz	AQVQHRZUAJDRMS-UDWIEESQSA-N	0	0	307.349	4.236	40	30		DIEBRN
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21CC	ZINC000005651677	1056054807	/nfs/dbraw/zinc/05/48/07/1056054807.db2.gz	VDKWHNVDYOVIIX-CRSSMBPESA-N	0	0	310.437	4.003	40	30		DIEBRN
O=C(C#Cc1ccccc1)O[C@H]1CCCC[C@H]1c1ccccc1	ZINC000013410288	1056422989	/nfs/dbraw/zinc/42/29/89/1056422989.db2.gz	KDILHQHTMZNVSW-PMACEKPBSA-N	0	0	304.389	4.308	40	30		DIEBRN
CC1=C(N=Nc2c(O)cccc2O)C(=O)[C@H](c2ccccc2)[C@H]1C	ZINC001554504441	1058522756	/nfs/dbraw/zinc/52/27/56/1058522756.db2.gz	RYOGOYHSPISXMH-OHTCVEADSA-N	0	0	322.364	4.458	40	30		DIEBRN
N#CCc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1	ZINC000225459529	201713083	/nfs/dbraw/zinc/71/30/83/201713083.db2.gz	XUVVXHMKEPILNZ-SFHVURJKSA-N	0	0	321.449	4.117	40	30		DIEBRN
O=C(/C=C\c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000032274756	190657811	/nfs/dbraw/zinc/65/78/11/190657811.db2.gz	FAPZWXLSPXMLJB-KMKOMSMNSA-N	0	0	305.146	4.484	40	30		DIEBRN
CC[C@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)c(C#N)c1	ZINC000225788281	201747457	/nfs/dbraw/zinc/74/74/57/201747457.db2.gz	KVMVQWPCTYYMQE-ZDUSSCGKSA-N	0	0	300.402	4.254	40	30		DIEBRN
CCCCc1nn(Cc2ccc(Cl)c(Cl)c2)c(N)c1C#N	ZINC000225846541	201753584	/nfs/dbraw/zinc/75/35/84/201753584.db2.gz	QMYXLKRJRDELQX-UHFFFAOYSA-N	0	0	323.227	4.035	40	30		DIEBRN
C=CCOc1cccc(NC(=S)N[C@H](C)c2ccccc2)c1	ZINC000138873350	186018891	/nfs/dbraw/zinc/01/88/91/186018891.db2.gz	LYWNGRQQVIOTNT-CQSZACIVSA-N	0	0	312.438	4.299	40	30		DIEBRN
CCCC(=O)Nc1ccc2sc(N=NC(C)CC)nc2c1	ZINC000072229653	191077670	/nfs/dbraw/zinc/07/76/70/191077670.db2.gz	WWIHIXAKPLXZCN-ZDLGFXPLSA-N	0	0	304.419	4.233	40	30		DIEBRN
CCC(=O)Nc1ccc(Cl)c2nc(N=NC(C)C)sc21	ZINC000072229821	191078549	/nfs/dbraw/zinc/07/85/49/191078549.db2.gz	BLHTUCKZMMXSJF-UHFFFAOYSA-N	0	0	310.810	4.106	40	30		DIEBRN
COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N	ZINC000225675751	186288329	/nfs/dbraw/zinc/28/83/29/186288329.db2.gz	IQDJGDKINPWERT-UHFFFAOYSA-N	0	0	320.392	4.017	40	30		DIEBRN
COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1	ZINC000225676001	186288940	/nfs/dbraw/zinc/28/89/40/186288940.db2.gz	TYLQPMLDKBDCDU-UHFFFAOYSA-N	0	0	320.392	4.017	40	30		DIEBRN
Cc1cccc2cc(C#N)c(SCC(=O)c3ccccc3)nc12	ZINC000000421675	180783640	/nfs/dbraw/zinc/78/36/40/180783640.db2.gz	CENODBPZRKLGSO-UHFFFAOYSA-N	0	0	318.401	4.390	40	30		DIEBRN
O=C1c2ccccc2C(=O)C1=Cc1ccc(N2CCCCCC2)o1	ZINC000000979765	180838877	/nfs/dbraw/zinc/83/88/77/180838877.db2.gz	UHISNBBUZZRMSN-UHFFFAOYSA-N	0	0	321.376	4.123	40	30		DIEBRN
CCC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@@H](CC)C1=O	ZINC000001641172	180882735	/nfs/dbraw/zinc/88/27/35/180882735.db2.gz	KGUWKIWUSQALLK-RXVVDRJESA-N	0	0	306.405	4.347	40	30		DIEBRN
C=C(Br)CNC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000001639289	180882238	/nfs/dbraw/zinc/88/22/38/180882238.db2.gz	IAADVFXQPMIOMV-UHFFFAOYSA-N	0	0	324.005	4.024	40	30		DIEBRN
C#CCOC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1	ZINC000002154422	180912628	/nfs/dbraw/zinc/91/26/28/180912628.db2.gz	SWEIWJJZNBDXDC-UHFFFAOYSA-N	0	0	310.296	4.224	40	30		DIEBRN
Cc1ccc(C)c(/C=C/C(=O)c2cc3ccccc3oc2=O)c1	ZINC000004268128	181090336	/nfs/dbraw/zinc/09/03/36/181090336.db2.gz	FRXWZJKJWRCIPQ-MDZDMXLPSA-N	0	0	304.345	4.306	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(C=O)=C2O	ZINC000004714893	181142016	/nfs/dbraw/zinc/14/20/16/181142016.db2.gz	LIURKLQQPKKGSQ-GWNAAENASA-N	0	0	318.457	4.011	40	30		DIEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(OC)cc1OC)C2	ZINC000004821238	181156528	/nfs/dbraw/zinc/15/65/28/181156528.db2.gz	YUVBGASFKYICCO-BFUOFWGJSA-N	0	0	315.413	4.025	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12	ZINC000004887792	181168559	/nfs/dbraw/zinc/16/85/59/181168559.db2.gz	XPQMZKUPBXMJTQ-VLOLGRDOSA-N	0	0	314.469	4.291	40	30	in-vitro	DIEBRN
Cc1nn(-c2ccccc2)c2c1cc(C#N)c1nc3ccccc3n12	ZINC000005276942	181225651	/nfs/dbraw/zinc/22/56/51/181225651.db2.gz	NLGUWUKYVBJBGT-UHFFFAOYSA-N	0	0	323.359	4.007	40	30		DIEBRN
O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1SC1=NCCS1	ZINC000005535513	181254517	/nfs/dbraw/zinc/25/45/17/181254517.db2.gz	NOMMIJASTOZFRS-QWOSEAJVSA-N	0	0	310.488	4.488	40	30		DIEBRN
CC(C)=NN=C1c2ccccc2N=C1OC(=O)Nc1ccccc1	ZINC000005601610	181262259	/nfs/dbraw/zinc/26/22/59/181262259.db2.gz	FOXNYRGAFBRSJC-CJLVFECKSA-N	0	0	320.352	4.164	40	30		DIEBRN
O/N=C(\c1ccccc1)c1ccc(OCc2ccccc2)cc1O	ZINC000005603353	181262290	/nfs/dbraw/zinc/26/22/90/181262290.db2.gz	IRYRRQYDKINZFR-QZQOTICOSA-N	0	0	319.360	4.198	40	30		DIEBRN
O=C1C(=O)/C(=C/c2ccc(Cl)cc2Cl)c2ccccc21	ZINC000005604669	181263195	/nfs/dbraw/zinc/26/31/95/181263195.db2.gz	WPPVENGAYIISBE-NTUHNPAUSA-N	0	0	303.144	4.299	40	30		DIEBRN
C=C(C)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1	ZINC000005617705	181264539	/nfs/dbraw/zinc/26/45/39/181264539.db2.gz	FUDSITRLMXTELH-UHFFFAOYSA-N	0	0	315.438	4.075	40	30		DIEBRN
Cc1nc2c(c3c4ccccc4sc31)/C(=N/N)CC(C)(C)C2	ZINC000005792653	181284192	/nfs/dbraw/zinc/28/41/92/181284192.db2.gz	WWUPZBOIXJKKRS-FYJGNVAPSA-N	0	0	309.438	4.393	40	30		DIEBRN
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1	ZINC000005850801	181289978	/nfs/dbraw/zinc/28/99/78/181289978.db2.gz	DEOWNWVIOCEVCD-HTHGBONLSA-N	0	0	309.369	4.322	40	30		DIEBRN
CCc1ccc(NN=C(C#N)c2nc3ccccc3s2)cc1	ZINC000006051501	181308622	/nfs/dbraw/zinc/30/86/22/181308622.db2.gz	AGSGMBDKCNHIPN-RCCKNPSSSA-N	0	0	306.394	4.198	40	30		DIEBRN
COc1cc(C#N)cc(Cl)c1OCc1ccccc1Cl	ZINC000006126642	181314474	/nfs/dbraw/zinc/31/44/74/181314474.db2.gz	GTFBSHRKOLWKOJ-UHFFFAOYSA-N	0	0	308.164	4.453	40	30		DIEBRN
COc1ccccc1C=NOC(=O)Nc1cccc2ccccc21	ZINC000006259374	181323356	/nfs/dbraw/zinc/32/33/56/181323356.db2.gz	XCDAPSQPISCJMJ-DEDYPNTBSA-N	0	0	320.348	4.431	40	30		DIEBRN
Cc1ccc(NC(=S)N(CCC#N)Cc2ccccc2)cc1C	ZINC000006488063	181345248	/nfs/dbraw/zinc/34/52/48/181345248.db2.gz	DYZVZCZTZSXETP-UHFFFAOYSA-N	0	0	323.465	4.416	40	30		DIEBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccs1	ZINC000006684037	181371169	/nfs/dbraw/zinc/37/11/69/181371169.db2.gz	PNWWCNFSTOSSPP-FRKPEAEDSA-N	0	0	315.276	4.121	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1	ZINC000219789315	201563924	/nfs/dbraw/zinc/56/39/24/201563924.db2.gz	QBZDPXXMJNTDHN-FQEVSTJZSA-N	0	0	321.420	4.449	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1	ZINC000008558387	181563742	/nfs/dbraw/zinc/56/37/42/181563742.db2.gz	ZNCVKXLOVQRBKJ-UHFFFAOYSA-N	0	0	311.381	4.291	40	30		DIEBRN
CS/C(=N\C#N)SCCCOc1ccc(Cl)c(C)c1	ZINC000015443973	182002377	/nfs/dbraw/zinc/00/23/77/182002377.db2.gz	RAIZSYLFZHERCQ-DTQAZKPQSA-N	0	0	314.863	4.351	40	30		DIEBRN
CCN(CC)c1ccc(/N=C(/C#N)C(=O)c2ccccc2)cc1	ZINC000016678491	182057232	/nfs/dbraw/zinc/05/72/32/182057232.db2.gz	PMZLNPLZAMVKQW-UZYVYHOESA-N	0	0	305.381	4.012	40	30		DIEBRN
Clc1cccc(Cl)c1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000016676093	182057558	/nfs/dbraw/zinc/05/75/58/182057558.db2.gz	BYQTVGAFNBZWGV-IUXPMGMMSA-N	0	0	305.168	4.316	40	30		DIEBRN
COc1ccccc1C(=O)O/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000016739515	182059632	/nfs/dbraw/zinc/05/96/32/182059632.db2.gz	OHPRVFCTLAXVIQ-QSSFMFLXSA-N	0	0	301.386	4.054	40	30		DIEBRN
Cc1ccc(C)c2c1CC/C(=C\c1ccccc1[N+](=O)[O-])C2=O	ZINC000016972998	182066972	/nfs/dbraw/zinc/06/69/72/182066972.db2.gz	NVJOSODXVCETMD-RVDMUPIBSA-N	0	0	307.349	4.424	40	30		DIEBRN
c1ccc(C(=NN=c2ccc3ccccc3[nH]2)c2ccccn2)cc1	ZINC000017127486	182076499	/nfs/dbraw/zinc/07/64/99/182076499.db2.gz	OMPFOEQSNRLYEL-NJNXFGOHSA-N	0	0	324.387	4.494	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1	ZINC000020672564	182242032	/nfs/dbraw/zinc/24/20/32/182242032.db2.gz	CYMRWFCCLMQKMZ-SFHVURJKSA-N	0	0	321.355	4.053	40	30		DIEBRN
CC(N=Nc1c(F)c(F)nc(F)c1F)c1cccc(Cl)c1	ZINC000020934507	182255325	/nfs/dbraw/zinc/25/53/25/182255325.db2.gz	QFRNIYKVDLVPFS-CGOBSMCZSA-N	0	0	317.673	4.128	40	30		DIEBRN
CCCCCCCCOC(=O)O[C@H](C)C(=O)OCCCC	ZINC000100313434	193798633	/nfs/dbraw/zinc/79/86/33/193798633.db2.gz	KESYLYOVDLLVCB-CQSZACIVSA-N	0	0	302.411	4.232	40	30		DIEBRN
C(=N\N1CCCCCC1)\c1cccc(OCc2ccccc2)c1	ZINC000031659210	182619208	/nfs/dbraw/zinc/61/92/08/182619208.db2.gz	HDTQMBGLYSPLRW-PGMHBOJBSA-N	0	0	308.425	4.476	40	30		DIEBRN
Cc1ccc(-c2nn(-c3ccccc3C)c(N)c2C#N)c(Cl)c1	ZINC000039955143	183024349	/nfs/dbraw/zinc/02/43/49/183024349.db2.gz	PIVAEJXWBCFDMB-UHFFFAOYSA-N	0	0	322.799	4.263	40	30		DIEBRN
Cc1cccc(-n2nc(-c3ccc(C)cc3Cl)c(C#N)c2N)c1	ZINC000039955150	183024526	/nfs/dbraw/zinc/02/45/26/183024526.db2.gz	YKWAJRZKPUBUFC-UHFFFAOYSA-N	0	0	322.799	4.263	40	30		DIEBRN
N#Cc1ccc(Br)cc1NCc1cccc(F)c1	ZINC000039956489	183024555	/nfs/dbraw/zinc/02/45/55/183024555.db2.gz	CHHOVYLKRKZDTQ-UHFFFAOYSA-N	0	0	305.150	4.072	40	30		DIEBRN
CSC(=Nc1nc2c(cc([N+](=O)[O-])cc2C)s1)SC	ZINC000057352493	184034987	/nfs/dbraw/zinc/03/49/87/184034987.db2.gz	QXVNMGVTSOLZEC-UHFFFAOYSA-N	0	0	313.429	4.226	40	30		DIEBRN
Cc1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)o1	ZINC000059426811	184138295	/nfs/dbraw/zinc/13/82/95/184138295.db2.gz	DJWFAHOXDJZKOU-DHDCSXOGSA-N	0	0	312.394	4.096	40	30		DIEBRN
C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccccc2)c1	ZINC000063790948	184288921	/nfs/dbraw/zinc/28/89/21/184288921.db2.gz	LYWNGRQQVIOTNT-AWEZNQCLSA-N	0	0	312.438	4.299	40	30		DIEBRN
CCCC#C[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21	ZINC000065739249	184377866	/nfs/dbraw/zinc/37/78/66/184377866.db2.gz	RNMIPUHUAVCLHQ-CYBMUJFWSA-N	0	0	317.694	4.463	40	30	in-vitro	DIEBRN
CCCCCC/C=N/NC(=N)C(=N)N/N=C\CCCCCC	ZINC000104369916	256579878	/nfs/dbraw/zinc/57/98/78/256579878.db2.gz	MYZYKWVLEHFLJZ-LRVMPXQBSA-N	0	0	308.474	4.033	40	30		DIEBRN
CC[C@@H](C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000100037234	256559571	/nfs/dbraw/zinc/55/95/71/256559571.db2.gz	RIDIMSPDBDWFDY-SCSAIBSYSA-N	0	0	320.151	4.001	40	30		DIEBRN
CN(C)c1ccc(/N=C/c2cccc(Br)c2)cc1	ZINC000100384116	256562991	/nfs/dbraw/zinc/56/29/91/256562991.db2.gz	APWVGWLASHWUHD-GZTJUZNOSA-N	0	0	303.203	4.266	40	30		DIEBRN
C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc4c(c3)OCO4)sc2C1	ZINC000100551105	256563980	/nfs/dbraw/zinc/56/39/80/256563980.db2.gz	HYEBISGQKDCLRJ-GXBAXFRPSA-N	0	0	324.405	4.224	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1C	ZINC000105453434	256580994	/nfs/dbraw/zinc/58/09/94/256580994.db2.gz	HMJXTZNNJZPCOY-UHFFFAOYSA-N	0	0	318.461	4.109	40	30		DIEBRN
COc1ccc(/N=C\c2ccc(N(CCF)CCF)cc2)cc1	ZINC000104051717	256577849	/nfs/dbraw/zinc/57/78/49/256577849.db2.gz	TXIKIDUIDJOZHZ-STZFKDTASA-N	0	0	318.367	4.191	40	30		DIEBRN
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C	ZINC000257345470	256623427	/nfs/dbraw/zinc/62/34/27/256623427.db2.gz	NVUUMOOKVFONOM-IEJRGFGGSA-N	0	0	300.442	4.333	40	30		DIEBRN
CCN(CC)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1	ZINC000059138680	257217097	/nfs/dbraw/zinc/21/70/97/257217097.db2.gz	WOPYVWAYEFELAS-HMMYKYKNSA-N	0	0	311.429	4.477	40	30		DIEBRN
CC(=CC(=O)c1ccc(C)o1)Nc1ccc([N+](=O)[O-])cc1C	ZINC000409353877	257220295	/nfs/dbraw/zinc/22/02/95/257220295.db2.gz	TZKUBUPRMSOWCA-PKNBQFBNSA-N	0	0	300.314	4.003	40	30		DIEBRN
Cc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)s1	ZINC000409216608	257220861	/nfs/dbraw/zinc/22/08/61/257220861.db2.gz	JVAJOVLTTUCABG-TVSYJCFYSA-N	0	0	308.472	4.146	40	30		DIEBRN
Cc1cccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1	ZINC000409190710	257221509	/nfs/dbraw/zinc/22/15/09/257221509.db2.gz	VOVGBJSILSDEQP-NDENLUEZSA-N	0	0	311.381	4.076	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(OCC)cc2)cc1Cl	ZINC000409116870	257222424	/nfs/dbraw/zinc/22/24/24/257222424.db2.gz	MHAVSVWFOQETPE-UHFFFAOYSA-N	0	0	315.800	4.363	40	30		DIEBRN
C#CCOc1c(CC=C)cc(CNc2ccc(C)cc2)cc1OC	ZINC000409119495	257222547	/nfs/dbraw/zinc/22/25/47/257222547.db2.gz	WVETWFAZLKBRQW-UHFFFAOYSA-N	0	0	321.420	4.356	40	30		DIEBRN
Fc1cc(/C=N\c2ccc(Cl)cc2)ccc1N1CCOCC1	ZINC000409128998	257222552	/nfs/dbraw/zinc/22/25/52/257222552.db2.gz	TUPVGSIQWFMADM-NDENLUEZSA-N	0	0	318.779	4.066	40	30		DIEBRN
Cc1ccc(/N=C\c2ccc(N3CCOCC3)cc2C)c(C)c1	ZINC000409097460	257223043	/nfs/dbraw/zinc/22/30/43/257223043.db2.gz	NHFFGMSISVHOOI-STZFKDTASA-N	0	0	308.425	4.199	40	30		DIEBRN
COc1ccc(Cl)cc1NC=CC(=O)c1ccc(C)cc1	ZINC000409057905	257223381	/nfs/dbraw/zinc/22/33/81/257223381.db2.gz	LSHIATPYNIQMDW-MDZDMXLPSA-N	0	0	301.773	4.466	40	30		DIEBRN
CCOC(=O)c1ccc(NC=CC(=O)c2ccc(CC)cc2)cc1	ZINC000409094147	257223428	/nfs/dbraw/zinc/22/34/28/257223428.db2.gz	CHCBOHTVKCYNKC-BUHFOSPRSA-N	0	0	323.392	4.234	40	30		DIEBRN
CN(C)c1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)cc1	ZINC000409075009	257223489	/nfs/dbraw/zinc/22/34/89/257223489.db2.gz	WMNTVKKGRMCWSI-STZFKDTASA-N	0	0	311.404	4.243	40	30		DIEBRN
Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1	ZINC000409069841	257223706	/nfs/dbraw/zinc/22/37/06/257223706.db2.gz	XDXBYOQMMDOXSF-MOSHPQCFSA-N	0	0	314.816	4.236	40	30		DIEBRN
Fc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)c(F)c1	ZINC000409064080	257223745	/nfs/dbraw/zinc/22/37/45/257223745.db2.gz	GCRCCDKVDUHGFS-SRZZPIQSSA-N	0	0	304.315	4.455	40	30		DIEBRN
COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(O)cc3)nc1-2	ZINC000409047402	257224331	/nfs/dbraw/zinc/22/43/31/257224331.db2.gz	ONDKFOXDDGVTQS-GRSHGNNSSA-N	0	0	322.389	4.179	40	30		DIEBRN
COc1ccc2ccc(OC)c(/C=N\OCc3ccccc3)c2c1	ZINC000409009178	257224881	/nfs/dbraw/zinc/22/48/81/257224881.db2.gz	YMXMWJOVEKALNU-BKUYFWCQSA-N	0	0	321.376	4.408	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C/c2ccc(N3CCCC3)cc2)c1	ZINC000408852602	257226275	/nfs/dbraw/zinc/22/62/75/257226275.db2.gz	LTXWETIEWIWCGJ-RCCKNPSSSA-N	0	0	322.408	4.214	40	30		DIEBRN
COC(=O)c1cccc(/N=C\c2c(C)n(C)c3ccccc23)c1C	ZINC000408848242	257226303	/nfs/dbraw/zinc/22/63/03/257226303.db2.gz	RMIYEDNBORBOBM-MTJSOVHGSA-N	0	0	320.392	4.332	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1	ZINC000408854780	257226311	/nfs/dbraw/zinc/22/63/11/257226311.db2.gz	BCNGVFGTAJGOCG-QNGOZBTKSA-N	0	0	321.424	4.386	40	30		DIEBRN
Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1C	ZINC000408789056	257226774	/nfs/dbraw/zinc/22/67/74/257226774.db2.gz	IVMOOHFYBVIBLJ-MFOYZWKCSA-N	0	0	305.219	4.463	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C)cc(C)c1	ZINC000408740463	257226889	/nfs/dbraw/zinc/22/68/89/257226889.db2.gz	KWBUSNNQODJSRT-BAOGCXAUSA-N	0	0	305.381	4.045	40	30		DIEBRN
CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(C)c2C)cc1	ZINC000408778338	257226926	/nfs/dbraw/zinc/22/69/26/257226926.db2.gz	DVQWGLAZEUEIIZ-DEDYPNTBSA-N	0	0	312.413	4.349	40	30		DIEBRN
Cc1ccc(NN=C2C=C(c3ccc(C(C)C)cc3)OC2=O)cc1	ZINC000408726150	257227348	/nfs/dbraw/zinc/22/73/48/257227348.db2.gz	QHZSVBPDOHPMSY-PYCFMQQDSA-N	0	0	320.392	4.484	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C)ccc1C	ZINC000408739836	257227387	/nfs/dbraw/zinc/22/73/87/257227387.db2.gz	GAXILIOMULJESY-RONKMWSCSA-N	0	0	305.381	4.045	40	30		DIEBRN
CCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C	ZINC000408709637	257227817	/nfs/dbraw/zinc/22/78/17/257227817.db2.gz	VUXRRFBHHNOSGW-UHFFFAOYSA-N	0	0	318.461	4.027	40	30		DIEBRN
Cn1c2ccccc2nc1NN=Cc1cccc2ccccc12	ZINC000408649401	257228636	/nfs/dbraw/zinc/22/86/36/257228636.db2.gz	DHLUZMYFNULGQM-DEDYPNTBSA-N	0	0	300.365	4.173	40	30		DIEBRN
Cc1ccccc1-n1cccc1/C=N/OCc1ccccc1C#N	ZINC000408597110	257229276	/nfs/dbraw/zinc/22/92/76/257229276.db2.gz	WAQKCLVZMPBFOK-HYARGMPZSA-N	0	0	315.376	4.208	40	30		DIEBRN
COc1cc(/C=N\O)ccc1OCc1cccc2ccccc21	ZINC000100250304	257230934	/nfs/dbraw/zinc/23/09/34/257230934.db2.gz	NSBRQAHMELQAGT-NDENLUEZSA-N	0	0	307.349	4.236	40	30		DIEBRN
C=CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1	ZINC000005552455	257231087	/nfs/dbraw/zinc/23/10/87/257231087.db2.gz	AFRBEIJDQGYRIF-QINSGFPZSA-N	0	0	317.410	4.088	40	30		DIEBRN
COc1cc(OC)c(/N=C\c2ccc(N(C)C)cc2)cc1Cl	ZINC000104226359	257232555	/nfs/dbraw/zinc/23/25/55/257232555.db2.gz	LBSQQPVAXQQQKI-ODLFYWEKSA-N	0	0	318.804	4.174	40	30		DIEBRN
C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000123425776	195580605	/nfs/dbraw/zinc/58/06/05/195580605.db2.gz	VFHDKUZLECTSQR-JRRMKBMNSA-N	0	0	318.501	4.307	40	30		DIEBRN
C[C@@]12CC=C3[C@@H](CCC4=CC(=O)[C@@H](F)C[C@@]43C)[C@H]1CC[C@]2(C)O	ZINC000263602281	333945767	/nfs/dbraw/zinc/94/57/67/333945767.db2.gz	MCBUDGHRLJAMOZ-GKBWTKQCSA-N	0	0	318.432	4.137	40	30		DIEBRN
C=C(C)CNC(=S)NCCC(c1ccccc1)c1ccccc1	ZINC000006262209	518609384	/nfs/dbraw/zinc/60/93/84/518609384.db2.gz	UQRBIOPTLISVDZ-UHFFFAOYSA-N	0	0	324.493	4.249	40	30		DIEBRN
C=C(C)CSc1nnc(-c2ccccc2O)n1-c1ccccc1	ZINC000027532704	518625366	/nfs/dbraw/zinc/62/53/66/518625366.db2.gz	PJXDHJYRWSTHLL-UHFFFAOYSA-N	0	0	323.421	4.308	40	30		DIEBRN
C=CCSc1nc2ccccc2n1C(=O)/C=C\c1ccco1	ZINC000033524712	519080569	/nfs/dbraw/zinc/08/05/69/519080569.db2.gz	QQBKIPDMMPTWCO-KTKRTIGZSA-N	0	0	310.378	4.261	40	30		DIEBRN
C=CCc1cc(C(=O)NCCCc2ccc(C)cc2)ccc1OC	ZINC000013673566	519128395	/nfs/dbraw/zinc/12/83/95/519128395.db2.gz	DKFGPMLAOKUIRA-UHFFFAOYSA-N	0	0	323.436	4.095	40	30		DIEBRN
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CC#N)cc1	ZINC000022533163	523040048	/nfs/dbraw/zinc/04/00/48/523040048.db2.gz	YBMVAPBZERQDQV-LJQANCHMSA-N	0	0	322.408	4.166	40	30		DIEBRN
O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1cccs1	ZINC000016430470	527652977	/nfs/dbraw/zinc/65/29/77/527652977.db2.gz	KSHLLFIRQNQOQO-FPLPWBNLSA-N	0	0	313.300	4.455	40	30		DIEBRN
COc1ccccc1C(=O)[C@H]1O[C@@H]1c1ccc(Cl)cc1Cl	ZINC000001714700	563292999	/nfs/dbraw/zinc/29/29/99/563292999.db2.gz	QXAFAPYLVMDOHM-HZPDHXFCSA-N	0	0	323.175	4.325	40	30		DIEBRN
CC1=C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)CC1=O	ZINC000001482180	563284978	/nfs/dbraw/zinc/28/49/78/563284978.db2.gz	GYBGISLVORKLBN-KWTCDADXSA-N	0	0	302.458	4.125	40	30		DIEBRN
Cc1ccccc1/C=N/N1C(=O)[C@@H](C)S[C@H]1c1ccccc1C	ZINC000001572878	563285774	/nfs/dbraw/zinc/28/57/74/563285774.db2.gz	ALFNGVYJTRFKEG-PNZWGNKRSA-N	0	0	324.449	4.300	40	30		DIEBRN
N#C[C@H]1C=Cc2c3ccccc3ccc2N1C(=O)c1ccccc1	ZINC000001621806	563288076	/nfs/dbraw/zinc/28/80/76/563288076.db2.gz	YLUZVASKHQAJAO-QGZVFWFLSA-N	0	0	310.356	4.406	40	30		DIEBRN
COc1ccc([C@@H]2O[C@]23CC(C)(C)c2ccccc2C3=O)cc1	ZINC000001744810	563294642	/nfs/dbraw/zinc/29/46/42/563294642.db2.gz	SRXZBCFCVYQQHL-ICSRJNTNSA-N	0	0	308.377	4.070	40	30		DIEBRN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=O)/C=C/c1ccccc1	ZINC000004266907	563326981	/nfs/dbraw/zinc/32/69/81/563326981.db2.gz	SODPQZYHRWLODB-UEBXOWLYSA-N	0	0	314.425	4.273	40	30		DIEBRN
N#C[C@@H]1C=Cc2c3ccccc3ccc2N1C(=O)c1ccccc1	ZINC000004958333	563328153	/nfs/dbraw/zinc/32/81/53/563328153.db2.gz	YLUZVASKHQAJAO-KRWDZBQOSA-N	0	0	310.356	4.406	40	30		DIEBRN
CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1	ZINC000007375566	563337995	/nfs/dbraw/zinc/33/79/95/563337995.db2.gz	QCEKHWJCLCKXCY-OVCLIPMQSA-N	0	0	309.409	4.438	40	30		DIEBRN
N/N=C(/c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1	ZINC000008627815	563348416	/nfs/dbraw/zinc/34/84/16/563348416.db2.gz	GENRSUNZVRLXIE-IGTQYIEMSA-N	0	0	301.393	4.203	40	30		DIEBRN
Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1	ZINC000044901203	563463698	/nfs/dbraw/zinc/46/36/98/563463698.db2.gz	WZQDRXXURQATBE-MRXNPFEDSA-N	0	0	322.408	4.084	40	30		DIEBRN
C/C(=N\c1cc(Cl)ccc1O)c1cc2ccccc2oc1=O	ZINC000068601528	563495766	/nfs/dbraw/zinc/49/57/66/563495766.db2.gz	PCIHWUJWPYVHCV-VXLYETTFSA-N	0	0	313.740	4.293	40	30		DIEBRN
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C	ZINC000257345703	563514759	/nfs/dbraw/zinc/51/47/59/563514759.db2.gz	GTGHOZSZMIUVEG-PQFDIHQSSA-N	0	0	314.469	4.291	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/O	ZINC000118917711	563525643	/nfs/dbraw/zinc/52/56/43/563525643.db2.gz	CWINRPKWTQFSKW-ODEHCZDBSA-N	0	0	305.462	4.220	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C\c2ccc3ccccc3c2O)cc1	ZINC000100248573	563548643	/nfs/dbraw/zinc/54/86/43/563548643.db2.gz	BCODDLVNFWRPHK-NDENLUEZSA-N	0	0	304.349	4.254	40	30		DIEBRN
CCOC(=O)c1ccc(/N=C\c2ccc3ccccc3c2O)cc1	ZINC000100248447	563548747	/nfs/dbraw/zinc/54/87/47/563548747.db2.gz	OJTKTVORMNKZLP-BKUYFWCQSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1ccc(OC)cc1OC	ZINC000100950756	563554654	/nfs/dbraw/zinc/55/46/54/563554654.db2.gz	CWQXVABUUXOJML-UHFFFAOYSA-N	0	0	324.490	4.351	40	30		DIEBRN
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccccn1	ZINC000101017885	563555977	/nfs/dbraw/zinc/55/59/77/563555977.db2.gz	USGLDMNIOKGSHM-YBFXNURJSA-N	0	0	308.410	4.323	40	30		DIEBRN
C[C@H]1CC(C)(C)N2C(=O)C(=NNc3ccccc3)c3cccc1c32	ZINC000101586371	563557924	/nfs/dbraw/zinc/55/79/24/563557924.db2.gz	MUQYGKLGRFMHJM-ODUIBEPXSA-N	0	0	319.408	4.135	40	30		DIEBRN
C=CCn1c(=S)[nH]nc1CSCc1ccc(Cl)cc1	ZINC000005817014	563590780	/nfs/dbraw/zinc/59/07/80/563590780.db2.gz	WFRKLYRGWBWNSG-UHFFFAOYSA-N	0	0	311.863	4.213	40	30		DIEBRN
C=CCOc1ccc(C(=S)N2CCC(C)CC2)cc1Cl	ZINC000006655133	563594597	/nfs/dbraw/zinc/59/45/97/563594597.db2.gz	ZXOKTKXVERLISI-UHFFFAOYSA-N	0	0	309.862	4.312	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1	ZINC000225062288	563603014	/nfs/dbraw/zinc/60/30/14/563603014.db2.gz	DPXTULCFBSCTTK-UHFFFAOYSA-N	0	0	317.772	4.166	40	30		DIEBRN
N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl	ZINC000000261733	563607544	/nfs/dbraw/zinc/60/75/44/563607544.db2.gz	PMYFXTMTUQPYFQ-MRXNPFEDSA-N	0	0	308.768	4.360	40	30		DIEBRN
CN(C)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000000341434	563607665	/nfs/dbraw/zinc/60/76/65/563607665.db2.gz	MFBGUIKUYPOPLH-LICLKQGHSA-N	0	0	303.749	4.065	40	30		DIEBRN
C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OC	ZINC000008371759	563615839	/nfs/dbraw/zinc/61/58/39/563615839.db2.gz	GBIHMESJXFZSIG-UDWIEESQSA-N	0	0	313.784	4.420	40	30		DIEBRN
Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccccc2)c1	ZINC000225880026	563617443	/nfs/dbraw/zinc/61/74/43/563617443.db2.gz	FAZCMXNUGMDEKV-UHFFFAOYSA-N	0	0	303.365	4.091	40	30		DIEBRN
CCn1c(C)c(C=C2C(=O)c3ccccc3C2=O)c2ccccc21	ZINC000409391152	563627633	/nfs/dbraw/zinc/62/76/33/563627633.db2.gz	HKQKIQINCVQQTB-UHFFFAOYSA-N	0	0	315.372	4.432	40	30		DIEBRN
N=C1N=C(c2ccccc2)/C(=N/Nc2ccc(Cl)cc2)S1	ZINC000100846299	563632566	/nfs/dbraw/zinc/63/25/66/563632566.db2.gz	LENLOGAOAAEZRQ-QSOMOFNKSA-N	0	0	314.801	4.236	40	30		DIEBRN
Clc1ccccc1CN/N=C/c1cccc(Br)c1	ZINC000008811486	563638319	/nfs/dbraw/zinc/63/83/19/563638319.db2.gz	ANLYXYPFBHIUTE-RQZCQDPDSA-N	0	0	323.621	4.226	40	30		DIEBRN
N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccccc1	ZINC000225881217	563645850	/nfs/dbraw/zinc/64/58/50/563645850.db2.gz	NOTKXEBGCYZAHQ-UHFFFAOYSA-N	0	0	323.783	4.436	40	30		DIEBRN
C=C1C[C@]2(CC)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12	ZINC000038295968	563646049	/nfs/dbraw/zinc/64/60/49/563646049.db2.gz	YDNGALYODUITSZ-SIRBJWHBSA-N	0	0	300.442	4.045	40	30		DIEBRN
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(F)c1	ZINC000014258251	563666189	/nfs/dbraw/zinc/66/61/89/563666189.db2.gz	WEDBMWIMQVRHLJ-UHFFFAOYSA-N	0	0	309.127	4.256	40	30		DIEBRN
C=CCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC	ZINC000014400669	563671461	/nfs/dbraw/zinc/67/14/61/563671461.db2.gz	OOBNRBHHUFROBY-UHFFFAOYSA-N	0	0	315.800	4.007	40	30		DIEBRN
C=CCc1cc2c(c(OC)c1)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000049181127	563701183	/nfs/dbraw/zinc/70/11/83/563701183.db2.gz	JETDBUNSPWMQCY-CWTRNNRKSA-N	0	0	324.376	4.390	40	30	biogenic,in-vitro	DIEBRN
C=CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC	ZINC000057437906	563719324	/nfs/dbraw/zinc/71/93/24/563719324.db2.gz	HSHHQNFOUOQIAC-VZUCSPMQSA-N	0	0	324.376	4.165	40	30		DIEBRN
Cc1ccc([C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1C	ZINC000225706258	563760573	/nfs/dbraw/zinc/76/05/73/563760573.db2.gz	APFINUKUEAHTIE-HNNXBMFYSA-N	0	0	323.465	4.417	40	30		DIEBRN
C=C[C@@](C)(O)C[C@H](O)/C=C(\C)C[C@@H](O)/C=C(\C)CCC=C(C)C	ZINC000034425324	563770357	/nfs/dbraw/zinc/77/03/57/563770357.db2.gz	ORFNMFQBYRQSRP-HUSPZZORSA-N	0	0	322.489	4.064	40	30	biogenic,in-vitro	DIEBRN
C(=NNc1ccc2ccccc2n1)c1cccn1-c1ccccc1	ZINC000059248910	563770860	/nfs/dbraw/zinc/77/08/60/563770860.db2.gz	DHPAXXMECPEVBJ-RCCKNPSSSA-N	0	0	312.376	4.472	40	30		DIEBRN
C=CCc1cc(C=Nc2ccc(C(C)=O)cc2)cc(OCC)c1O	ZINC000059679085	563772255	/nfs/dbraw/zinc/77/22/55/563772255.db2.gz	CFWNHVKFGKQGOB-FYJGNVAPSA-N	0	0	323.392	4.473	40	30		DIEBRN
CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C	ZINC000263613314	563794714	/nfs/dbraw/zinc/79/47/14/563794714.db2.gz	ZDHCJEIGTNNEMY-XHHHBCLVSA-N	0	0	302.458	4.269	40	30		DIEBRN
C=C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000100098173	563821346	/nfs/dbraw/zinc/82/13/46/563821346.db2.gz	BARAZKHHMOWWQY-VKHMYHEASA-N	0	0	312.078	4.208	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1	ZINC000008104764	563834174	/nfs/dbraw/zinc/83/41/74/563834174.db2.gz	RITAHEJMRAWEMA-UHFFFAOYSA-N	0	0	311.381	4.291	40	30		DIEBRN
C=CCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1	ZINC000010458114	563836653	/nfs/dbraw/zinc/83/66/53/563836653.db2.gz	IURPPVRRDHIAKH-UHFFFAOYSA-N	0	0	315.800	4.476	40	30		DIEBRN
C=CCOc1cc2c(cc1[C@H](C)c1ccccc1OC)OCO2	ZINC000001584433	563841211	/nfs/dbraw/zinc/84/12/11/563841211.db2.gz	HSQOTBFHTVOUBN-CYBMUJFWSA-N	0	0	312.365	4.141	40	30		DIEBRN
C=CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2	ZINC000001582285	563841431	/nfs/dbraw/zinc/84/14/31/563841431.db2.gz	IZTASLRRHYCALV-CYBMUJFWSA-N	0	0	312.365	4.141	40	30		DIEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000103845010	563855348	/nfs/dbraw/zinc/85/53/48/563855348.db2.gz	DMUMXRBDOZXNGT-OCKHKDLRSA-N	0	0	323.751	4.265	40	30		DIEBRN
C=CCSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000219803479	563869136	/nfs/dbraw/zinc/86/91/36/563869136.db2.gz	XXKVENZTFVTMKZ-UHFFFAOYSA-N	0	0	314.366	4.125	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N/O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000013545880	563921012	/nfs/dbraw/zinc/92/10/12/563921012.db2.gz	VHLNMRCAXRWHOK-IGDIZZQHSA-N	0	0	305.462	4.220	40	30	biogenic,in-vitro	DIEBRN
C=CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1OCC	ZINC000006961095	563921840	/nfs/dbraw/zinc/92/18/40/563921840.db2.gz	KGXQFLQEDWXFMW-XSFVSMFZSA-N	0	0	311.381	4.409	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OC	ZINC000008277920	563922289	/nfs/dbraw/zinc/92/22/89/563922289.db2.gz	LITNEOAQLLQSGX-UDWIEESQSA-N	0	0	313.784	4.420	40	30		DIEBRN
C=CCOc1ccccc1/C=N/NCc1ccccc1Cl	ZINC000008811746	563922493	/nfs/dbraw/zinc/92/24/93/563922493.db2.gz	SJOUWQPNILGTTA-DEDYPNTBSA-N	0	0	300.789	4.029	40	30		DIEBRN
C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C/C1=N\O	ZINC000020275384	563922921	/nfs/dbraw/zinc/92/29/21/563922921.db2.gz	KHGGBQIXVJTINV-QZAGRTNBSA-N	0	0	319.489	4.466	40	30		DIEBRN
C/C(=N\N=c1\sc2ccccc2n1C)c1ccccc1Cl	ZINC000108872077	563927152	/nfs/dbraw/zinc/92/71/52/563927152.db2.gz	SYAIJMQPRANUKV-ZZWQWEKISA-N	0	0	315.829	4.218	40	30		DIEBRN
C[C@H]1CCCN(c2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)C1	ZINC000096346431	563936277	/nfs/dbraw/zinc/93/62/77/563936277.db2.gz	AEMSKRBPUUATEC-NUEKZKHPSA-N	0	0	307.397	4.054	40	30		DIEBRN
CCCCCn1nc(Cc2cccc3ccccc32)c(C#N)c1N	ZINC000225836251	563939014	/nfs/dbraw/zinc/93/90/14/563939014.db2.gz	KUQPKJBFAWRWIK-UHFFFAOYSA-N	0	0	318.424	4.271	40	30		DIEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccccc2C)c1	ZINC000225855766	563939191	/nfs/dbraw/zinc/93/91/91/563939191.db2.gz	MLKVRXUTZOHNNI-UHFFFAOYSA-N	0	0	315.420	4.198	40	30		DIEBRN
CCCCCCCCc1nnc(NC(=O)c2ccco2)s1	ZINC000003045114	563941726	/nfs/dbraw/zinc/94/17/26/563941726.db2.gz	OMZKKAXWKCSIGR-UHFFFAOYSA-N	0	0	307.419	4.286	40	30	aggregator	DIEBRN
CCC(C)N=Nc1nc2ccc(N3CCCC[C@@H]3C)cc2s1	ZINC000057328177	563959921	/nfs/dbraw/zinc/95/99/21/563959921.db2.gz	QJRVZCHTDNZEJF-QXGSTRBFSA-N	0	0	316.474	4.873	40	30		DIEBRN
CCC(C)N=Nc1nc2ccc(N3CCCC[C@H]3C)cc2s1	ZINC000057328180	563959932	/nfs/dbraw/zinc/95/99/32/563959932.db2.gz	QJRVZCHTDNZEJF-CQLSMYGBSA-N	0	0	316.474	4.873	40	30		DIEBRN
Nc1nnc(-c2cccc(/N=C/c3ccc(Cl)cc3)c2)s1	ZINC000408718210	563960536	/nfs/dbraw/zinc/96/05/36/563960536.db2.gz	BCUIUDGQGUBEOF-GIJQJNRQSA-N	0	0	314.801	4.191	40	30		DIEBRN
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N(Cc1ccccc1)c1ccccc1	ZINC000016479676	1041609341	/nfs/dbraw/zinc/60/93/41/1041609341.db2.gz	FBWWWHSZHASTEF-FHDJZPIGSA-N	0	0	306.409	4.322	40	30		DIEBRN
Cc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)c1	ZINC000225880208	1044433507	/nfs/dbraw/zinc/43/35/07/1044433507.db2.gz	ALAFRHLALBSBQJ-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
COc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1	ZINC000027061471	1047639206	/nfs/dbraw/zinc/63/92/06/1047639206.db2.gz	LCYDJRWIMSTVEL-UHFFFAOYSA-N	0	0	322.389	4.366	40	30		DIEBRN
CCCCCCCCNC(=O)C1(c2ccccc2)CCOCC1	ZINC000103529499	1051187391	/nfs/dbraw/zinc/18/73/91/1051187391.db2.gz	BOUFTGBACBGDOT-UHFFFAOYSA-N	0	0	317.473	4.212	40	30		DIEBRN
Cc1c(CO/N=C/c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000054175899	1051385883	/nfs/dbraw/zinc/38/58/83/1051385883.db2.gz	QIZGDFWSJCTWSA-RQZCQDPDSA-N	0	0	304.733	4.107	40	30		DIEBRN
COc1ccc(C(=O)/C=C/c2c(C)n(C)c3ccccc23)cc1	ZINC000205730378	1055708740	/nfs/dbraw/zinc/70/87/40/1055708740.db2.gz	IZXFATIJMUJALN-OUKQBFOZSA-N	0	0	305.377	4.391	40	30		DIEBRN
CC[C@H]1C[C@H]2C(=CC1=O)CC[C@H]1C3=CC=C(C(C)=O)[C@H]3CC[C@@H]12	ZINC001570007899	1055881187	/nfs/dbraw/zinc/88/11/87/1055881187.db2.gz	NHEFHXCXIRULLT-WHBHKIHWSA-N	0	0	310.437	4.420	40	30		DIEBRN
O/N=C1C(=C\c2ccccc2)\CCC[C@@H]\1[C@H](NO)c1ccccc1	ZINC000102959458	185427377	/nfs/dbraw/zinc/42/73/77/185427377.db2.gz	ZRUMPUDVEPDHPW-ONBVZIEHSA-N	0	0	322.408	4.420	40	30		DIEBRN
CCCCCc1c(N)cc(C#N)n1CCOc1cccc(C)c1	ZINC000225861893	201756589	/nfs/dbraw/zinc/75/65/89/201756589.db2.gz	LYRLZVYTRAWRTJ-UHFFFAOYSA-N	0	0	311.429	4.062	40	30		DIEBRN
CC(C)Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl	ZINC000225875018	201758004	/nfs/dbraw/zinc/75/80/04/201758004.db2.gz	WDOUIWRIBMTPSQ-UHFFFAOYSA-N	0	0	324.211	4.084	40	30		DIEBRN
CC(C)N=Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1	ZINC000072229725	191076889	/nfs/dbraw/zinc/07/68/89/191076889.db2.gz	FQCOBICEAJDSSW-UHFFFAOYSA-N	0	0	324.409	4.356	40	30		DIEBRN
CCC(C)N=Nc1nc2cc(NC(=O)C(C)C)ccc2s1	ZINC000072229655	191077349	/nfs/dbraw/zinc/07/73/49/191077349.db2.gz	WSPGAIAXYQDHJV-ZDLGFXPLSA-N	0	0	304.419	4.089	40	30		DIEBRN
CCC(=O)Nc1ccc(Cl)c2nc(N=NC(C)CC)sc21	ZINC000072229822	191078337	/nfs/dbraw/zinc/07/83/37/191078337.db2.gz	ZMXNPWZNDUELFR-LSCVHKIXSA-N	0	0	324.837	4.496	40	30		DIEBRN
CC1(C)Cc2[nH]c(=S)c(C#N)c(-c3ccccc3)c2C(=O)C1	ZINC000000288899	180748810	/nfs/dbraw/zinc/74/88/10/180748810.db2.gz	YHSKXTJCSCPFBN-UHFFFAOYSA-N	0	0	308.406	4.064	40	30		DIEBRN
CC(=O)C=C(Nc1ncc(Cl)c2ccccc12)NC(C)(C)C	ZINC000001582699	180875945	/nfs/dbraw/zinc/87/59/45/180875945.db2.gz	SSGMJPRZCQJDGP-UHFFFAOYSA-N	0	0	317.820	4.285	40	30		DIEBRN
Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@@H]3CCCC[C@@H]32)cc1	ZINC000001700468	180889181	/nfs/dbraw/zinc/88/91/81/180889181.db2.gz	NESBIDLAHABETR-XIRDDKMYSA-N	0	0	308.443	4.059	40	30		DIEBRN
CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O	ZINC000004217467	181085372	/nfs/dbraw/zinc/08/53/72/181085372.db2.gz	GYBGISLVORKLBN-YNZDMMAESA-N	0	0	302.458	4.125	40	30	in-vitro	DIEBRN
N/N=C(\c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1	ZINC000004830691	181158647	/nfs/dbraw/zinc/15/86/47/181158647.db2.gz	GENRSUNZVRLXIE-YFJJEWJYSA-N	0	0	301.393	4.203	40	30		DIEBRN
CC1=C2CC[C@@]3(C)C[C@@H]4OC(C)(C)O[C@@H]4C[C@@H]3[C@@H]2CCC1=O	ZINC000004831152	181158901	/nfs/dbraw/zinc/15/89/01/181158901.db2.gz	FKWFYNPPMCRLHM-QZIVSUOLSA-N	0	0	304.430	4.012	40	30		DIEBRN
C=CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21	ZINC000004917455	181172723	/nfs/dbraw/zinc/17/27/23/181172723.db2.gz	NLCDXTURHFZMND-UHFFFAOYSA-N	0	0	322.795	4.471	40	30		DIEBRN
C=CCOC(=O)c1ccc2oc(-c3cccc(Cl)c3)nc2c1	ZINC000073634065	191332295	/nfs/dbraw/zinc/33/22/95/191332295.db2.gz	WOZLXRHNTSSRHO-UHFFFAOYSA-N	0	0	313.740	4.491	40	30		DIEBRN
CCCCS/C=C1\C[C@@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C1=O)[C@@H]23	ZINC000004990468	181186053	/nfs/dbraw/zinc/18/60/53/181186053.db2.gz	LBYJPWLLGLXJAE-BSRQJGRUSA-N	0	0	322.470	4.115	40	30		DIEBRN
CCc1cc(C)n(Cc2ccc(Br)cc2)c1C#N	ZINC000078405366	191859519	/nfs/dbraw/zinc/85/95/19/191859519.db2.gz	BOMZNOWLSWKSFV-UHFFFAOYSA-N	0	0	303.203	4.041	40	30		DIEBRN
CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C)cc2)S1	ZINC000005376284	181235762	/nfs/dbraw/zinc/23/57/62/181235762.db2.gz	PDCBSCVKOALUMD-ATVHPVEESA-N	0	0	322.433	4.449	40	30		DIEBRN
Cc1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1	ZINC000005376301	181236258	/nfs/dbraw/zinc/23/62/58/181236258.db2.gz	XTCPALNXACKOCY-GDNBJRDFSA-N	0	0	312.369	4.026	40	30		DIEBRN
Fc1c(F)c(F)c(N=NCc2ccc(Cl)cc2)c(F)c1F	ZINC000005569290	181258604	/nfs/dbraw/zinc/25/86/04/181258604.db2.gz	ZEHREGSVTSOKOF-DENHBWNVSA-N	0	0	320.648	4.482	40	30		DIEBRN
C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000005617708	181264434	/nfs/dbraw/zinc/26/44/34/181264434.db2.gz	ARWZBDDRCQVPQN-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
O=C1c2ccccc2SC[C@@]12O[C@H]2c1ccc(Cl)cc1	ZINC000005663327	181269264	/nfs/dbraw/zinc/26/92/64/181269264.db2.gz	VYVHONMJLUAOAQ-JKSUJKDBSA-N	0	0	302.782	4.139	40	30		DIEBRN
O=C(/C=C\c1ccc2c(c1)OCO2)c1cccc2ccccc21	ZINC000005808900	181285653	/nfs/dbraw/zinc/28/56/53/181285653.db2.gz	LPTQOHKILLDHLD-NTMALXAHSA-N	0	0	302.329	4.465	40	30		DIEBRN
CO/N=C\c1cc(NC(=S)c2ccoc2C)ccc1Cl	ZINC000005808736	181285742	/nfs/dbraw/zinc/28/57/42/181285742.db2.gz	QCULSUVHFJNPFU-PXNMLYILSA-N	0	0	308.790	4.009	40	30		DIEBRN
COc1ccc(O)c(C=Nc2ccc3[nH]c(C(C)C)nc3c2)c1	ZINC000005911466	181295993	/nfs/dbraw/zinc/29/59/93/181295993.db2.gz	NMZBKYHQYBBBAH-VXLYETTFSA-N	0	0	309.369	4.151	40	30		DIEBRN
COc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000006126633	181314418	/nfs/dbraw/zinc/31/44/18/181314418.db2.gz	LHBCKGYVTDQWBW-UHFFFAOYSA-N	0	0	308.164	4.453	40	30		DIEBRN
COc1ccc(C(=O)O/N=C2\CCC\C2=C/c2ccccc2)cc1	ZINC000006411175	181338978	/nfs/dbraw/zinc/33/89/78/181338978.db2.gz	JPEHXBNJNKFMBG-QUYMBBJYSA-N	0	0	321.376	4.476	40	30		DIEBRN
CC(=NNc1ccc(C)c(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000006674051	181369490	/nfs/dbraw/zinc/36/94/90/181369490.db2.gz	UISCZRCIQIZVGL-GZTJUZNOSA-N	0	0	303.749	4.393	40	30		DIEBRN
CSC(=CC(=O)c1ccc(Br)cc1)SC	ZINC000006794380	181390581	/nfs/dbraw/zinc/39/05/81/181390581.db2.gz	IQJVXCIYYQAIKL-UHFFFAOYSA-N	0	0	303.246	4.199	40	30		DIEBRN
CC(C)c1ccc(NN=C2c3cc(Cl)ccc3NC2=O)cc1	ZINC000223741179	201655229	/nfs/dbraw/zinc/65/52/29/201655229.db2.gz	GEHBFZZGGBATFK-UHFFFAOYSA-N	0	0	313.788	4.232	40	30		DIEBRN
C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1	ZINC000008104672	181526992	/nfs/dbraw/zinc/52/69/92/181526992.db2.gz	PFTLGNMBBLPMRG-GOSISDBHSA-N	0	0	311.381	4.048	40	30		DIEBRN
C=C(COC(C)=O)C[C@@H](/C=C(/C)CCC=C(C)C)OC(C)=O	ZINC000008655507	181571070	/nfs/dbraw/zinc/57/10/70/181571070.db2.gz	ZAXYWVMAJQQJNL-RXEWJAMOSA-N	0	0	308.418	4.120	40	30		DIEBRN
O=C1c2cc3c(cc2C/C1=C/c1ccc2c(c1)CCC2)CCC3	ZINC000008665607	181571896	/nfs/dbraw/zinc/57/18/96/181571896.db2.gz	POGGKAOBPMQTJO-JMIUGGIZSA-N	0	0	300.401	4.486	40	30		DIEBRN
C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(O)cc1	ZINC000013586057	181865547	/nfs/dbraw/zinc/86/55/47/181865547.db2.gz	JPVWJAZPWWEWLZ-VXLYETTFSA-N	0	0	309.196	4.213	40	30		DIEBRN
CCOc1cc(C=O)cc(Cl)c1OCc1cccc(C#N)c1	ZINC000015423250	182001347	/nfs/dbraw/zinc/00/13/47/182001347.db2.gz	NUZYYVQXJNIKBQ-UHFFFAOYSA-N	0	0	315.756	4.002	40	30		DIEBRN
CC[C@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccccc3)c2C1	ZINC000016636866	182054832	/nfs/dbraw/zinc/05/48/32/182054832.db2.gz	BSSXXQUYULRJGE-ZDUSSCGKSA-N	0	0	301.393	4.194	40	30		DIEBRN
Fc1cccc(Cl)c1CN=Nc1nc2c(s1)CCCC2	ZINC000016755047	182060200	/nfs/dbraw/zinc/06/02/00/182060200.db2.gz	CYOJEBCVSLOTNE-IUXPMGMMSA-N	0	0	309.797	4.260	40	30		DIEBRN
O/N=C1C(=C/c2ccccc2)/CCC[C@@H]/1[C@H](NO)c1ccccc1	ZINC000016957340	182066324	/nfs/dbraw/zinc/06/63/24/182066324.db2.gz	ZRUMPUDVEPDHPW-YGOTZEHUSA-N	0	0	322.408	4.420	40	30		DIEBRN
CC(C)=CCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000017173893	182078835	/nfs/dbraw/zinc/07/88/35/182078835.db2.gz	KXKSTFJRCXDCBU-PTNGSMBKSA-N	0	0	306.322	4.037	40	30		DIEBRN
Oc1ccccc1/C=N/c1c(-c2ccco2)nc2ccccn21	ZINC000018102463	182093512	/nfs/dbraw/zinc/09/35/12/182093512.db2.gz	DBHUVHSADUHVTP-XDHOZWIPSA-N	0	0	303.321	4.051	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@@H](CC)c2ccccc2)ccc1OC	ZINC000020458145	182220157	/nfs/dbraw/zinc/22/01/57/182220157.db2.gz	XFTJBCKTPMMWEK-SFHVURJKSA-N	0	0	309.409	4.305	40	30		DIEBRN
Cc1ccccc1CNc1cc(Br)ccc1C#N	ZINC000039956492	183024365	/nfs/dbraw/zinc/02/43/65/183024365.db2.gz	ASMXTMMATJXKTQ-UHFFFAOYSA-N	0	0	301.187	4.241	40	30		DIEBRN
C=CCn1c(COc2ccc(C(C)C)c(C)c2)n[nH]c1=S	ZINC000041689970	183217646	/nfs/dbraw/zinc/21/76/46/183217646.db2.gz	YFTCGZORQUQDNH-UHFFFAOYSA-N	0	0	303.431	4.138	40	30		DIEBRN
CCOc1cc(C#N)ccc1OCc1ccc(F)cc1Cl	ZINC000042252120	183246136	/nfs/dbraw/zinc/24/61/36/183246136.db2.gz	FPCTWFPEUBJHSC-UHFFFAOYSA-N	0	0	305.736	4.328	40	30		DIEBRN
CCCCCCCCNC(=S)N(CC)Cc1ccncc1	ZINC000059608766	184139470	/nfs/dbraw/zinc/13/94/70/184139470.db2.gz	LJJVOYTVKFHAEX-UHFFFAOYSA-N	0	0	307.507	4.139	40	30		DIEBRN
C[C@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12	ZINC000118927503	194941999	/nfs/dbraw/zinc/94/19/99/194941999.db2.gz	XPQMZKUPBXMJTQ-PVPPCFLZSA-N	0	0	314.469	4.291	40	30		DIEBRN
COc1ccc2c(c1)CCc1sc(/N=C/c3ccncc3)nc1-2	ZINC000059459309	256539746	/nfs/dbraw/zinc/53/97/46/256539746.db2.gz	BFZLCTDIHFXQMA-RGVLZGJSSA-N	0	0	321.405	4.063	40	30		DIEBRN
N#C[C@@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1	ZINC000096295507	256553754	/nfs/dbraw/zinc/55/37/54/256553754.db2.gz	FNVRCYNTVYXCQQ-LJQANCHMSA-N	0	0	316.360	4.331	40	30		DIEBRN
COC(=O)c1ccccc1/N=C/c1c(C)n(C)c2ccccc12	ZINC000059247915	257217348	/nfs/dbraw/zinc/21/73/48/257217348.db2.gz	QEIJSPRPUIQUFX-UDWIEESQSA-N	0	0	306.365	4.024	40	30		DIEBRN
COc1cc(Cl)c(/C=C2\Cc3ccccc3C2=O)cc1OC	ZINC000409369441	257220229	/nfs/dbraw/zinc/22/02/29/257220229.db2.gz	NRCOOARMFGOAKR-MDWZMJQESA-N	0	0	314.768	4.180	40	30		DIEBRN
O=C(/C(=C/c1ccccc1)C(=O)C(F)(F)F)c1ccc(F)cc1	ZINC000409340634	257220319	/nfs/dbraw/zinc/22/03/19/257220319.db2.gz	AIJXWNPCRHWOBE-UVTDQMKNSA-N	0	0	322.257	4.223	40	30		DIEBRN
C#CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OC	ZINC000409198369	257221175	/nfs/dbraw/zinc/22/11/75/257221175.db2.gz	DZFXOICCXNUSGI-UHFFFAOYSA-N	0	0	319.763	4.112	40	30		DIEBRN
COC(=O)c1ccc(/N=C/c2ccc3ccccc3c2O)cc1	ZINC000409182561	257221325	/nfs/dbraw/zinc/22/13/25/257221325.db2.gz	MPVRIOOMDDEXNW-UDWIEESQSA-N	0	0	305.333	4.083	40	30		DIEBRN
C#CCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1OC	ZINC000409118538	257222250	/nfs/dbraw/zinc/22/22/50/257222250.db2.gz	NZGOLWHCWDHENU-UHFFFAOYSA-N	0	0	315.800	4.281	40	30		DIEBRN
C=CCc1cc(CO)cc(OCC)c1OCc1ccc(F)cc1	ZINC000409112941	257222559	/nfs/dbraw/zinc/22/25/59/257222559.db2.gz	HEEMFTIWRZSVQE-UHFFFAOYSA-N	0	0	316.372	4.024	40	30		DIEBRN
C=CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Cl	ZINC000409115799	257222580	/nfs/dbraw/zinc/22/25/80/257222580.db2.gz	KSFAAHMHTWROFX-UVTDQMKNSA-N	0	0	311.768	4.398	40	30		DIEBRN
C#CCOc1ccc(CNc2ccccc2)cc1Br	ZINC000409110652	257222712	/nfs/dbraw/zinc/22/27/12/257222712.db2.gz	FRVTYYIXEWZYHH-UHFFFAOYSA-N	0	0	316.198	4.073	40	30		DIEBRN
C=CCn1cc(/C=C2/SC(=O)N(CC=C)C2=O)c2ccccc21	ZINC000409104765	257222800	/nfs/dbraw/zinc/22/28/00/257222800.db2.gz	FJKNVWLWVSOJJM-LFIBNONCSA-N	0	0	324.405	4.050	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)cc2)C1=O	ZINC000409104530	257222813	/nfs/dbraw/zinc/22/28/13/257222813.db2.gz	JLHIEMAPOQCCPF-YGRGUWMTSA-N	0	0	317.410	4.086	40	30		DIEBRN
Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000409099266	257222881	/nfs/dbraw/zinc/22/28/81/257222881.db2.gz	PTSHEPKXWFGVMY-PXNMLYILSA-N	0	0	319.704	4.215	40	30		DIEBRN
CCOC(=O)c1cccc(NC=CC(=O)c2ccc(CC)cc2)c1	ZINC000409102305	257222897	/nfs/dbraw/zinc/22/28/97/257222897.db2.gz	RSMITZRWTJVUQO-OUKQBFOZSA-N	0	0	323.392	4.234	40	30		DIEBRN
O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Cl)cc2O)c1	ZINC000409102185	257223052	/nfs/dbraw/zinc/22/30/52/257223052.db2.gz	DAWWTONCEVBIAT-APSNUPSMSA-N	0	0	311.124	4.358	40	30		DIEBRN
CC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C	ZINC000409061778	257223383	/nfs/dbraw/zinc/22/33/83/257223383.db2.gz	HWQBVNLALQCOLY-UHFFFAOYSA-N	0	0	318.785	4.037	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O	ZINC000409067281	257223491	/nfs/dbraw/zinc/22/34/91/257223491.db2.gz	QDRBWVUBQOSJCZ-YRNVUSSQSA-N	0	0	314.193	4.216	40	30		DIEBRN
Clc1ccc(Sc2ccc(/C=N/n3cnnc3)s2)cc1	ZINC000409024119	257224123	/nfs/dbraw/zinc/22/41/23/257224123.db2.gz	WKMRHBBZHVDJOX-REZTVBANSA-N	0	0	320.830	4.026	40	30		DIEBRN
C=CCOc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1	ZINC000409013374	257224199	/nfs/dbraw/zinc/22/41/99/257224199.db2.gz	NDXHZYQDEJSMEU-PKVLTRFUSA-N	0	0	317.410	4.086	40	30		DIEBRN
CCOc1cccc(/N=C\c2cccn2-c2ccc(O)cc2)c1	ZINC000409018870	257224225	/nfs/dbraw/zinc/22/42/25/257224225.db2.gz	XEOZAOCKNVVRRU-ZHZULCJRSA-N	0	0	306.365	4.332	40	30		DIEBRN
COc1ccc2c(c1)Cc1sc(/N=C\c3ccccc3O)nc1-2	ZINC000409044859	257224249	/nfs/dbraw/zinc/22/42/49/257224249.db2.gz	CXABMKVPGFOGFO-GRSHGNNSSA-N	0	0	322.389	4.179	40	30		DIEBRN
O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccco1	ZINC000409053134	257224291	/nfs/dbraw/zinc/22/42/91/257224291.db2.gz	LDAVCAIFXQJMDS-JXAWBTAJSA-N	0	0	311.362	4.145	40	30		DIEBRN
CCc1ccccc1/N=C1\S/C(=C/c2ccccc2)C(=O)N1C	ZINC000408916641	257225135	/nfs/dbraw/zinc/22/51/35/257225135.db2.gz	YSTVKUKFTUHKEQ-YWKYIXQJSA-N	0	0	322.433	4.483	40	30		DIEBRN
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(C#N)cc2)cc1	ZINC000408953359	257225210	/nfs/dbraw/zinc/22/52/10/257225210.db2.gz	OWCMPMUVBLWEIU-PXLXIMEGSA-N	0	0	314.392	4.166	40	30		DIEBRN
COC(=O)c1cccc(/N=C\c2ccc(N3CCCC3)cc2C)c1	ZINC000408960490	257225242	/nfs/dbraw/zinc/22/52/42/257225242.db2.gz	MFWVPYYTTBGUCI-STZFKDTASA-N	0	0	322.408	4.132	40	30		DIEBRN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1O	ZINC000408933231	257225565	/nfs/dbraw/zinc/22/55/65/257225565.db2.gz	IQEVMDBITUNLJH-JMIUGGIZSA-N	0	0	324.302	4.256	40	30		DIEBRN
CCOc1cccc(C=NNc2ccc(C(F)(F)F)cc2)c1O	ZINC000408933107	257225577	/nfs/dbraw/zinc/22/55/77/257225577.db2.gz	HOAGXAGOTFQBAZ-JMIUGGIZSA-N	0	0	324.302	4.256	40	30		DIEBRN
Cc1ccc(C)c(/N=C\c2cc(Br)c(N(C)C)o2)c1	ZINC000408851493	257225819	/nfs/dbraw/zinc/22/58/19/257225819.db2.gz	KQUFLGVFSJLVLD-MFOYZWKCSA-N	0	0	321.218	4.476	40	30		DIEBRN
COC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1	ZINC000408850862	257225850	/nfs/dbraw/zinc/22/58/50/257225850.db2.gz	SKJZHJHIRHRZHI-NDENLUEZSA-N	0	0	306.365	4.024	40	30		DIEBRN
Cc1cc([N+](=O)[O-])ccc1/N=C\c1cccn1-c1ccccc1	ZINC000408846237	257225914	/nfs/dbraw/zinc/22/59/14/257225914.db2.gz	HVPDQYYZEFZHQD-UYRXBGFRSA-N	0	0	305.337	4.445	40	30		DIEBRN
Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccco2)S1	ZINC000408850450	257226315	/nfs/dbraw/zinc/22/63/15/257226315.db2.gz	AGQSATGGUIUZPA-JYRVWZFOSA-N	0	0	318.785	4.133	40	30		DIEBRN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1C	ZINC000408725771	257227046	/nfs/dbraw/zinc/22/70/46/257227046.db2.gz	JWTGZPDSJSDPMY-WQRHYEAKSA-N	0	0	311.410	4.449	40	30		DIEBRN
COc1ccc2c(c1)-c1nc(/N=C/c3ccncc3)sc1CC2	ZINC000408723114	257227923	/nfs/dbraw/zinc/22/79/23/257227923.db2.gz	QKJOUTOOKMNAJU-RGVLZGJSSA-N	0	0	321.405	4.063	40	30		DIEBRN
CCOc1ccc(/C(C)=N/NCc2ccc(Cl)cc2)cc1	ZINC000408712046	257228120	/nfs/dbraw/zinc/22/81/20/257228120.db2.gz	XDAFUUWIFHLPAL-DEDYPNTBSA-N	0	0	302.805	4.253	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC	ZINC000408702055	257228511	/nfs/dbraw/zinc/22/85/11/257228511.db2.gz	ALLLQQXCGXGHDP-UHFFFAOYSA-N	0	0	319.763	4.469	40	30		DIEBRN
CCn1c2ccccc2nc1NN=Cc1c(C)[nH]c2ccccc12	ZINC000408692053	257228604	/nfs/dbraw/zinc/22/86/04/257228604.db2.gz	CISZZVPPHOGOED-UDWIEESQSA-N	0	0	317.396	4.292	40	30		DIEBRN
N#Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1	ZINC000408573140	257229585	/nfs/dbraw/zinc/22/95/85/257229585.db2.gz	MFUGDVQXYGUUAI-ACCUITESSA-N	0	0	314.344	4.470	40	30		DIEBRN
CCC(C)(C)[C@H]1CCC(=O)C(=CNCc2ccc(OC)cc2)C1	ZINC000408563623	257229617	/nfs/dbraw/zinc/22/96/17/257229617.db2.gz	QJQVMTSCEGEJIE-ZQHZRZASSA-N	0	0	315.457	4.474	40	30		DIEBRN
O/N=C\c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000216838244	257230825	/nfs/dbraw/zinc/23/08/25/257230825.db2.gz	BRHMXEFDNAKYEW-PXNMLYILSA-N	0	0	317.142	4.065	40	30		DIEBRN
Nc1cccc(C(=O)Nc2cc(Cl)nc(-c3ccccc3)n2)c1	ZINC000329040812	257231066	/nfs/dbraw/zinc/23/10/66/257231066.db2.gz	SGBPDKQPOFMNCG-UHFFFAOYSA-N	0	0	324.771	4.016	40	30		DIEBRN
COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1OC	ZINC000104226963	257232476	/nfs/dbraw/zinc/23/24/76/257232476.db2.gz	GZTBLNPAZHPNBG-JMIUGGIZSA-N	0	0	309.287	4.473	40	30		DIEBRN
CNC(=O)Oc1ccccc1/C=N\Sc1ccc(Cl)cc1	ZINC000104191025	257232567	/nfs/dbraw/zinc/23/25/67/257232567.db2.gz	FOETZLKTUUNNBV-ZDLGFXPLSA-N	0	0	320.801	4.184	40	30		DIEBRN
CCCCCCCC[C@@H](O)C1=CC(=O)c2ccccc2C1=O	ZINC000002044327	331468564	/nfs/dbraw/zinc/46/85/64/331468564.db2.gz	OLMNFDQDOAXOJJ-QGZVFWFLSA-N	0	0	300.398	4.104	40	30		DIEBRN
Oc1ccccc1/C=N/Sc1ccc(Br)cc1	ZINC000104156559	332244197	/nfs/dbraw/zinc/24/41/97/332244197.db2.gz	FSKOMUFCKGIWOS-OQLLNIDSSA-N	0	0	308.200	4.281	40	30		DIEBRN
CCc1cnccc1[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000329186853	335949604	/nfs/dbraw/zinc/94/96/04/335949604.db2.gz	QQOWVWFSBWKEJJ-QMCVQRASSA-N	0	0	315.461	4.177	40	30		DIEBRN
COc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1OC	ZINC000007744388	523539334	/nfs/dbraw/zinc/53/93/34/523539334.db2.gz	VGUFJKHXFOTHPS-BQYQJAHWSA-N	0	0	320.747	4.392	40	30		DIEBRN
COc1ccc(C(=O)/C=C/Oc2cccc3cccnc32)cc1	ZINC000016216128	523539571	/nfs/dbraw/zinc/53/95/71/523539571.db2.gz	ZVVJMPUTIZYSOY-ACCUITESSA-N	0	0	305.333	4.019	40	30		DIEBRN
Cc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1C	ZINC000032647161	524668748	/nfs/dbraw/zinc/66/87/48/524668748.db2.gz	WMOSQGTYYMNFBV-UHFFFAOYSA-N	0	0	311.768	4.245	40	30		DIEBRN
Cc1ccsc1CN=Nc1nc2ccccc2nc1Cl	ZINC000032647165	525815456	/nfs/dbraw/zinc/81/54/56/525815456.db2.gz	DBKGZHPZEPHUHM-LZYBPNLTSA-N	0	0	302.790	4.099	40	30		DIEBRN
Cc1cc(C(=O)/C=C/C(=O)Nc2cccc3ccccc32)co1	ZINC000026779860	526197131	/nfs/dbraw/zinc/19/71/31/526197131.db2.gz	FDWUIFGPSAARTM-MDZDMXLPSA-N	0	0	305.333	4.119	40	30		DIEBRN
O=C(O/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1	ZINC000008637902	526412791	/nfs/dbraw/zinc/41/27/91/526412791.db2.gz	DZPXNVNSHUXZGC-XDOYNYLZSA-N	0	0	315.372	4.490	40	30		DIEBRN
O=C(Nc1ccccc1)O/N=C(/c1ccccc1)c1cccnc1	ZINC000001705030	527394992	/nfs/dbraw/zinc/39/49/92/527394992.db2.gz	MOQXANUWTABPMK-PYCFMQQDSA-N	0	0	317.348	4.083	40	30		DIEBRN
Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000000342679	563607296	/nfs/dbraw/zinc/60/72/96/563607296.db2.gz	DSKZJTLZSFKKTR-CXUHLZMHSA-N	0	0	319.158	4.416	40	30		DIEBRN
CN(C)c1ccc(/C=N/c2nnc(-c3ccccc3)s2)cc1	ZINC000000244006	563232867	/nfs/dbraw/zinc/23/28/67/563232867.db2.gz	COFKGFMXENMDLN-LDADJPATSA-N	0	0	308.410	4.022	40	30		DIEBRN
CCc1cccc(CC)c1NC1=CC(=O)C(=O)c2ccccc21	ZINC000001625327	563287915	/nfs/dbraw/zinc/28/79/15/563287915.db2.gz	YCSOPLIBDXTWNT-UHFFFAOYSA-N	0	0	305.377	4.030	40	30		DIEBRN
COc1ccccc1C(=O)[C@H]1O[C@H]1c1ccc(Cl)cc1Cl	ZINC000001714702	563293261	/nfs/dbraw/zinc/29/32/61/563293261.db2.gz	QXAFAPYLVMDOHM-JKSUJKDBSA-N	0	0	323.175	4.325	40	30		DIEBRN
COc1cc(OC)c(/N=C\c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000002164853	563300898	/nfs/dbraw/zinc/30/08/98/563300898.db2.gz	ZODVMIXJSOQFQR-MFOYZWKCSA-N	0	0	320.732	4.016	40	30		DIEBRN
CC(C)N=NC(=NCc1ccccc1)SCc1ccccc1	ZINC000005631520	563330105	/nfs/dbraw/zinc/33/01/05/563330105.db2.gz	ZOPOCRDGRFGFAN-UHFFFAOYSA-N	0	0	311.454	4.461	40	30		DIEBRN
CN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1	ZINC000009195834	563352093	/nfs/dbraw/zinc/35/20/93/563352093.db2.gz	YYEJKMPKWWVZEK-VXLYETTFSA-N	0	0	322.239	4.183	40	30		DIEBRN
COc1ccccc1/C=N/NCc1c(Cl)cccc1Cl	ZINC000009194947	563352274	/nfs/dbraw/zinc/35/22/74/563352274.db2.gz	ISSVEOGBIYIVIP-GIJQJNRQSA-N	0	0	309.196	4.126	40	30		DIEBRN
CC(=NNc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2	ZINC000013097349	563378255	/nfs/dbraw/zinc/37/82/55/563378255.db2.gz	HQYUZSMCRGXLSK-KEBDBYFISA-N	0	0	322.286	4.270	40	30		DIEBRN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C/C(=N/O)CC[C@]34C)[C@@H]1CC[C@@H]2O	ZINC000013408809	563381297	/nfs/dbraw/zinc/38/12/97/563381297.db2.gz	VHLNMRCAXRWHOK-AULWQOETSA-N	0	0	305.462	4.220	40	30		DIEBRN
COc1cc2ccccc2cc1C(=O)Nc1ccc(CC#N)cc1	ZINC000017368304	563414731	/nfs/dbraw/zinc/41/47/31/563414731.db2.gz	ZWKGQPIXWKLTBQ-UHFFFAOYSA-N	0	0	316.360	4.167	40	30		DIEBRN
N#CCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	ZINC000027666364	563429378	/nfs/dbraw/zinc/42/93/78/563429378.db2.gz	SFFHALGMAZGDAP-UHFFFAOYSA-N	0	0	315.298	4.169	40	30		DIEBRN
FC(F)(F)c1cccc(NC(=S)N/N=C\c2ccccc2)c1	ZINC000033453818	563445673	/nfs/dbraw/zinc/44/56/73/563445673.db2.gz	PWPJQGSQMYXZBN-GRSHGNNSSA-N	0	0	323.343	4.026	40	30		DIEBRN
CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CC#N)cc1	ZINC000038771229	563460313	/nfs/dbraw/zinc/46/03/13/563460313.db2.gz	JZOKEZGRFLUCPK-SFHVURJKSA-N	0	0	322.408	4.166	40	30		DIEBRN
CCCCCCCCCc1ccc(OCCOCCO)cc1	ZINC000038141475	563460365	/nfs/dbraw/zinc/46/03/65/563460365.db2.gz	BLXVTZPGEOGTGG-UHFFFAOYSA-N	0	0	308.462	4.367	40	30	in-vitro	DIEBRN
CC1(C)[C@H]2C[C@@H]1CCC2=CN=Nc1c(F)c(F)nc(F)c1F	ZINC000084668230	563465637	/nfs/dbraw/zinc/46/56/37/563465637.db2.gz	DOVAPWKKNHJXIX-XAISPDLZSA-N	0	0	313.298	4.028	40	30		DIEBRN
FC(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	ZINC000103525156	563561089	/nfs/dbraw/zinc/56/10/89/563561089.db2.gz	UTLCCTBINYHEBC-UHFFFAOYSA-N	0	0	320.048	4.355	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118912522	563592678	/nfs/dbraw/zinc/59/26/78/563592678.db2.gz	XWALNWXLMVGSFR-MPRNQXESSA-N	0	0	300.442	4.045	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(OCC)c(C)c2)c1	ZINC000224556560	563596719	/nfs/dbraw/zinc/59/67/19/563596719.db2.gz	FELJKWSGKAANAX-UHFFFAOYSA-N	0	0	311.381	4.211	40	30		DIEBRN
C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1	ZINC000224668233	563597842	/nfs/dbraw/zinc/59/78/42/563597842.db2.gz	DKIPNCOCSLYIOK-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)ccc1OC	ZINC000224708304	563598076	/nfs/dbraw/zinc/59/80/76/563598076.db2.gz	COTPYUSBEMJWBJ-OAHLLOKOSA-N	0	0	323.436	4.477	40	30		DIEBRN
C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccs1	ZINC000225135652	563603498	/nfs/dbraw/zinc/60/34/98/563603498.db2.gz	GDNPBJMQYZEPRR-UHFFFAOYSA-N	0	0	321.467	4.055	40	30		DIEBRN
COc1ccc([C@H](CC#N)[C@H](C#N)c2cccc(F)c2)cc1OC	ZINC000000133267	563605577	/nfs/dbraw/zinc/60/55/77/563605577.db2.gz	CKRWLHFLYBSRAA-DLBZAZTESA-N	0	0	324.355	4.148	40	30		DIEBRN
C=C(C)C(=O)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000002571938	563611450	/nfs/dbraw/zinc/61/14/50/563611450.db2.gz	CPZGRZBFUHXVBT-UHFFFAOYSA-N	0	0	303.446	4.180	40	30		DIEBRN
Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccccc1F	ZINC000225879552	563617750	/nfs/dbraw/zinc/61/77/50/563617750.db2.gz	IBFBMWMVBDXPAS-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccccc2)cc1	ZINC000225878846	563617914	/nfs/dbraw/zinc/61/79/14/563617914.db2.gz	IRMMHBZLYNORBO-UHFFFAOYSA-N	0	0	303.365	4.091	40	30		DIEBRN
C=CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	ZINC000001103227	563620400	/nfs/dbraw/zinc/62/04/00/563620400.db2.gz	CXQISXLKXYVVQK-GXDHUFHOSA-N	0	0	303.452	4.197	40	30		DIEBRN
Cc1ccc(S(=O)(=O)OCCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1	ZINC000001743790	563620817	/nfs/dbraw/zinc/62/08/17/563620817.db2.gz	KIEYEULFYXIKJX-NVXWUHKLSA-N	0	0	320.454	4.083	40	30		DIEBRN
CCOc1cccc(NC(C)=CC(=O)c2cccc(OC)c2)c1	ZINC000006387721	563638000	/nfs/dbraw/zinc/63/80/00/563638000.db2.gz	JXERCMGRZAQRNG-SDNWHVSQSA-N	0	0	311.381	4.293	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1	ZINC000008073601	563641698	/nfs/dbraw/zinc/64/16/98/563641698.db2.gz	OHCFXTQYMXTBDV-UHFFFAOYSA-N	0	0	301.773	4.466	40	30		DIEBRN
O=C(/C=C\c1ccco1)c1ccc(NC(=O)c2ccco2)cc1	ZINC000013124257	563657233	/nfs/dbraw/zinc/65/72/33/563657233.db2.gz	BEZQTLICSGQQAI-KTKRTIGZSA-N	0	0	307.305	4.021	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CCSc2ccccc2)c1	ZINC000065878448	563676118	/nfs/dbraw/zinc/67/61/18/563676118.db2.gz	RWLSXWSIPHLOSC-UHFFFAOYSA-N	0	0	313.422	4.372	40	30		DIEBRN
C=C1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)C[C@H]1O	ZINC000118933747	563689315	/nfs/dbraw/zinc/68/93/15/563689315.db2.gz	CSAYBUZKHPFVBW-GDZCPINPSA-N	0	0	318.501	4.307	40	30		DIEBRN
CC[NH+](CC)CC#CCO[C@H](C)n1cccc1-c1ccccc1	ZINC000005591563	563701597	/nfs/dbraw/zinc/70/15/97/563701597.db2.gz	XNKSJPUMHUHYJT-GOSISDBHSA-N	0	0	310.441	4.035	40	30		DIEBRN
C=CCSc1ccccc1C(=O)Nc1ccc(CC#N)cc1	ZINC000219801103	563721879	/nfs/dbraw/zinc/72/18/79/563721879.db2.gz	QXVIQIATXQBROV-UHFFFAOYSA-N	0	0	308.406	4.283	40	30		DIEBRN
CCc1ccc(NN=C2c3cc(C(C)C)ccc3NC2=O)cc1	ZINC000223730385	563735877	/nfs/dbraw/zinc/73/58/77/563735877.db2.gz	VBBZVTAWRPINHI-UHFFFAOYSA-N	0	0	307.397	4.141	40	30		DIEBRN
C=C[C@@](C)(O)C[C@@H](O)/C=C(\C)C[C@H](O)/C=C(\C)CCC=C(C)C	ZINC000034425322	563770045	/nfs/dbraw/zinc/77/00/45/563770045.db2.gz	ORFNMFQBYRQSRP-BJPOXORESA-N	0	0	322.489	4.064	40	30	biogenic,in-vitro	DIEBRN
C=CCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1	ZINC000058746000	563770785	/nfs/dbraw/zinc/77/07/85/563770785.db2.gz	VQQMVBLJCKOFAV-YRNVUSSQSA-N	0	0	324.376	4.165	40	30		DIEBRN
Clc1ccc2nc(-c3ccco3)c(/N=C/c3ccncc3)n2c1	ZINC000059596710	563771779	/nfs/dbraw/zinc/77/17/79/563771779.db2.gz	GRSHTSNCBWIKKS-KEBDBYFISA-N	0	0	322.755	4.393	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(Cl)cc2F)c1	ZINC000055723353	563817424	/nfs/dbraw/zinc/81/74/24/563817424.db2.gz	QAWIVFRTMMVINN-UHFFFAOYSA-N	0	0	305.736	4.296	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]21C	ZINC000104395608	563831926	/nfs/dbraw/zinc/83/19/26/563831926.db2.gz	BFJGDRRSEQORFA-XDWAVFMPSA-N	0	0	312.453	4.468	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)NCc2ccc(Cl)cc2)c1	ZINC000008570633	563835264	/nfs/dbraw/zinc/83/52/64/563835264.db2.gz	GQYNGTKLPFTNPS-UHFFFAOYSA-N	0	0	315.800	4.225	40	30		DIEBRN
COC(=O)c1ccccc1-c1ccc(/C=N/c2ccc(O)cc2)o1	ZINC000000574700	563854305	/nfs/dbraw/zinc/85/43/05/563854305.db2.gz	PEKUHOBQIPEKAQ-UDWIEESQSA-N	0	0	321.332	4.189	40	30		DIEBRN
C=CCOC(=O)c1cccc(OCc2ccc(Cl)cc2)c1	ZINC000216800714	563855397	/nfs/dbraw/zinc/85/53/97/563855397.db2.gz	PELHCBWVJMRUAR-UHFFFAOYSA-N	0	0	302.757	4.262	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	ZINC000216820868	563855916	/nfs/dbraw/zinc/85/59/16/563855916.db2.gz	HZFHSVRAUVQWQT-UHFFFAOYSA-N	0	0	312.365	4.007	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)cc1	ZINC000216887018	563857174	/nfs/dbraw/zinc/85/71/74/563857174.db2.gz	YGATVSQOAPYWFH-JLHYYAGUSA-N	0	0	308.377	4.316	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1	ZINC000113955683	563857631	/nfs/dbraw/zinc/85/76/31/563857631.db2.gz	CBCNOULACQOVAG-INIZCTEOSA-N	0	0	309.409	4.359	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21	ZINC000033741220	563857684	/nfs/dbraw/zinc/85/76/84/563857684.db2.gz	DIAJCMVFGKWTEP-UQVNRYHBSA-N	0	0	312.453	4.468	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)NCCCc2cccc(C)c2)c1	ZINC000219787180	563868967	/nfs/dbraw/zinc/86/89/67/563868967.db2.gz	NSEQUCBCSVRLDY-UHFFFAOYSA-N	0	0	323.436	4.313	40	30		DIEBRN
C=CCSc1ccccc1C(=O)N1CCc2ccccc2C1	ZINC000219798482	563869132	/nfs/dbraw/zinc/86/91/32/563869132.db2.gz	QEHBXAQMQCOLDQ-UHFFFAOYSA-N	0	0	309.434	4.163	40	30		DIEBRN
CC(C)C1=CC2=C[C@H](O)[C@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000030726796	563878090	/nfs/dbraw/zinc/87/80/90/563878090.db2.gz	QEAIMIKGLGBTSA-ADLFWFRXSA-N	0	0	316.441	4.097	40	30	in-vitro	DIEBRN
Cc1ccc(-c2nc(C#N)c(C#N)nc2-c2ccc(C)cc2)cc1	ZINC000001715987	563896010	/nfs/dbraw/zinc/89/60/10/563896010.db2.gz	QLLCOQJZXYRKSF-UHFFFAOYSA-N	0	0	310.360	4.171	40	30		DIEBRN
C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C	ZINC000226278640	563913632	/nfs/dbraw/zinc/91/36/32/563913632.db2.gz	RJXGQNOADPTXRZ-INIZCTEOSA-N	0	0	324.424	4.199	40	30		DIEBRN
CN1[C@@H]2CC[C@H]1/C(=C/c1ccccc1)C(=O)/C2=C/c1ccccc1	ZINC000013124210	563921018	/nfs/dbraw/zinc/92/10/18/563921018.db2.gz	UYTWVEVNIDBOOP-JVABLFGLSA-N	0	0	315.416	4.199	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2ccccc2)cc1Br	ZINC000006295406	563921295	/nfs/dbraw/zinc/92/12/95/563921295.db2.gz	XNRQQRBMOSTXAU-LDADJPATSA-N	0	0	314.182	4.212	40	30		DIEBRN
Cc1ccc(-c2noc(SCc3ccccc3C#N)n2)cc1	ZINC000007604788	563922119	/nfs/dbraw/zinc/92/21/19/563922119.db2.gz	PTGKXUOMMRTFQH-UHFFFAOYSA-N	0	0	307.378	4.209	40	30		DIEBRN
CC(C)Oc1cccc(/C=N/NCc2ccc(Cl)cc2)c1	ZINC000010119028	563922647	/nfs/dbraw/zinc/92/26/47/563922647.db2.gz	QJAUXJOVWBRGPN-UDWIEESQSA-N	0	0	302.805	4.251	40	30		DIEBRN
C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1	ZINC000065749346	563923436	/nfs/dbraw/zinc/92/34/36/563923436.db2.gz	JBRNUJRCVJLNML-AWEZNQCLSA-N	0	0	313.422	4.371	40	30		DIEBRN
CN(C)/N=C/c1c(OCc2ccccc2)ccc2ccccc21	ZINC000006605549	563924537	/nfs/dbraw/zinc/92/45/37/563924537.db2.gz	PFNPLGNIIJLSLU-KGENOOAVSA-N	0	0	304.393	4.314	40	30		DIEBRN
COc1ccc(/N=C\c2cc(F)c(N3CCCC3)cc2C)cc1	ZINC000107868251	563924624	/nfs/dbraw/zinc/92/46/24/563924624.db2.gz	HONBCKJNCHWDBU-BKUYFWCQSA-N	0	0	312.388	4.494	40	30		DIEBRN
N#Cc1c(Nc2ccccc2)sc(N)c1C(=O)c1ccccc1	ZINC000000125301	563926565	/nfs/dbraw/zinc/92/65/65/563926565.db2.gz	BEAKETCIKDULSN-UHFFFAOYSA-N	0	0	319.389	4.177	40	30		DIEBRN
Cc1ccc2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1	ZINC000000411056	563926907	/nfs/dbraw/zinc/92/69/07/563926907.db2.gz	OQUJFTYCYVVJJR-UHFFFAOYSA-N	0	0	318.401	4.390	40	30		DIEBRN
Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC000000567687	563927161	/nfs/dbraw/zinc/92/71/61/563927161.db2.gz	MGTUSCSBWRYSNB-UHFFFAOYSA-N	0	0	310.422	4.449	40	30	aggregator	DIEBRN
CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1	ZINC000030882578	563943972	/nfs/dbraw/zinc/94/39/72/563943972.db2.gz	KIRIQXQPQLRCHZ-IKGGRYGDSA-N	0	0	311.429	4.178	40	30	biogenic,in-vitro	DIEBRN
COc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1	ZINC000031771991	563944681	/nfs/dbraw/zinc/94/46/81/563944681.db2.gz	OXICXSMQRNQGJC-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
C=C1C[C@@]2(CC)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12	ZINC000071257187	563959406	/nfs/dbraw/zinc/95/94/06/563959406.db2.gz	YDNGALYODUITSZ-GFLQDLJJSA-N	0	0	300.442	4.045	40	30		DIEBRN
CCOc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1	ZINC000408979595	563960520	/nfs/dbraw/zinc/96/05/20/563960520.db2.gz	NCSBZSWLEQEARX-UHFFFAOYSA-N	0	0	315.376	4.268	40	30		DIEBRN
COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)c(C)c1	ZINC000408976644	563960530	/nfs/dbraw/zinc/96/05/30/563960530.db2.gz	BMHIYSAMCCIOLW-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
N#C[C@H]1CCC[C@](CCc2ccccc2)(c2ccccc2)C1=O	ZINC000001564931	568412256	/nfs/dbraw/zinc/41/22/56/568412256.db2.gz	CQZPUJPZJWTUIE-NQIIRXRSSA-N	0	0	303.405	4.450	40	30		DIEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1C	ZINC000011994921	568417760	/nfs/dbraw/zinc/41/77/60/568417760.db2.gz	VCGPQAOMKDYWGS-GRSHGNNSSA-N	0	0	319.788	4.434	40	30		DIEBRN
O=C(/C=C\c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000211721167	1037373982	/nfs/dbraw/zinc/37/39/82/1037373982.db2.gz	ITIXXMYVCCLWRS-FPLPWBNLSA-N	0	0	305.692	4.283	40	30		DIEBRN
C=C1C[C@@]2(CC)[C@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12	ZINC000082048500	1042523958	/nfs/dbraw/zinc/52/39/58/1042523958.db2.gz	YDNGALYODUITSZ-IPJCAIGPSA-N	0	0	300.442	4.045	40	30		DIEBRN
N#Cc1sc2nc3c(c(-c4ccccc4)c2c1N)CCCC3	ZINC000000348968	1044333536	/nfs/dbraw/zinc/33/35/36/1044333536.db2.gz	AOSULRYHYNEFMD-UHFFFAOYSA-N	0	0	305.406	4.296	40	30		DIEBRN
CCOC(=O)C(Cl)=NNc1ccc(Oc2ccccc2)cc1	ZINC000100415402	1044394420	/nfs/dbraw/zinc/39/44/20/1044394420.db2.gz	YXGPGZVKMMRJIC-CYVLTUHYSA-N	0	0	318.760	4.006	40	30		DIEBRN
C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1	ZINC000225281439	1044418379	/nfs/dbraw/zinc/41/83/79/1044418379.db2.gz	ZNMQXAFHRAACNY-AWEZNQCLSA-N	0	0	312.438	4.299	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NCCC2=CCCCC2)c1	ZINC000225355552	1044421841	/nfs/dbraw/zinc/42/18/41/1044421841.db2.gz	OCHJATRMPXXIOJ-UHFFFAOYSA-N	0	0	316.470	4.428	40	30		DIEBRN
C=CCOc1ccc(NC(=S)Nc2ccc(F)cc2)cc1	ZINC000225459577	1044425658	/nfs/dbraw/zinc/42/56/58/1044425658.db2.gz	IYJFYJJOUUWDAE-UHFFFAOYSA-N	0	0	302.374	4.199	40	30		DIEBRN
CC(C)c1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1	ZINC000253616947	1053357651	/nfs/dbraw/zinc/35/76/51/1053357651.db2.gz	BHSPDYJZXWFFIB-UHFFFAOYSA-N	0	0	322.437	4.239	40	30		DIEBRN
Cc1ccc2c(c1)OC(C)=CC2=C1C(=O)c2ccccc2C1=O	ZINC000000073611	1054617118	/nfs/dbraw/zinc/61/71/18/1054617118.db2.gz	KINJBLPZBNBHRX-UHFFFAOYSA-N	0	0	302.329	4.124	40	30		DIEBRN
CCn1c2ccc(/C(C)=N/O)cc2c2cc(/C(C)=N/O)ccc21	ZINC000096901718	185390510	/nfs/dbraw/zinc/39/05/10/185390510.db2.gz	SMADFIJMWGFTLC-AYKLPDECSA-N	0	0	309.369	4.211	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1	ZINC000008073564	190630360	/nfs/dbraw/zinc/63/03/60/190630360.db2.gz	LJHDCJPTYGCNRR-UHFFFAOYSA-N	0	0	301.773	4.466	40	30		DIEBRN
CC(C)COc1ccc(NC(=O)C2(C)CCCC2)cc1C#N	ZINC000225788091	201747190	/nfs/dbraw/zinc/74/71/90/201747190.db2.gz	BRQOHUTWNXLURB-UHFFFAOYSA-N	0	0	300.402	4.112	40	30		DIEBRN
CC(C)Cc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl	ZINC000225856447	201755350	/nfs/dbraw/zinc/75/53/50/201755350.db2.gz	APPCGUZKIXFDDI-UHFFFAOYSA-N	0	0	322.239	4.496	40	30		DIEBRN
CC(C)(C)Oc1c(N)cc(C#N)n1Cc1cccc2ccccc21	ZINC000225875626	201757924	/nfs/dbraw/zinc/75/79/24/201757924.db2.gz	FBAHBYPXHXTEGV-UHFFFAOYSA-N	0	0	319.408	4.321	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Oc2cccc(C)c2)cc1	ZINC000225880095	201758733	/nfs/dbraw/zinc/75/87/33/201758733.db2.gz	NLAPZDJONREVNP-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
N#Cc1c(N)nc(SC2CCCC2)nc1C1CCCCC1	ZINC000225894932	201761229	/nfs/dbraw/zinc/76/12/29/201761229.db2.gz	JHOWKMQGWKVEIO-UHFFFAOYSA-N	0	0	302.447	4.013	40	30		DIEBRN
N#Cc1cc(Oc2ccc3ccccc3c2)c([N+](=O)[O-])cc1C#N	ZINC000000578741	180825776	/nfs/dbraw/zinc/82/57/76/180825776.db2.gz	NMPLBJYCUJBKGU-UHFFFAOYSA-N	0	0	315.288	4.284	40	30		DIEBRN
C#C[C@](O)(c1c2ccccc2cc2ccccc21)C(F)(F)F	ZINC000004293535	181093488	/nfs/dbraw/zinc/09/34/88/181093488.db2.gz	CNRAVYWIDSZYOR-KRWDZBQOSA-N	0	0	300.279	4.376	40	30		DIEBRN
C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O	ZINC000004480365	181112899	/nfs/dbraw/zinc/11/28/99/181112899.db2.gz	ZCVAOQKBXKSDMS-PVAVHDDUSA-N	0	0	302.414	4.002	40	30	in-vitro	DIEBRN
C/C(=N\c1ncc(Cl)s1)c1cc2ccccc2oc1=O	ZINC000004701578	181139072	/nfs/dbraw/zinc/13/90/72/181139072.db2.gz	PYOQRRZWIHPOIQ-CAOOACKPSA-N	0	0	304.758	4.044	40	30		DIEBRN
O=C(/C=C\c1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000004773299	181150519	/nfs/dbraw/zinc/15/05/19/181150519.db2.gz	MDPNIEWCQQIJPW-YFHOEESVSA-N	0	0	304.305	4.039	40	30		DIEBRN
CC/C(=N\NC(=S)Nc1cc(C)ccc1C)c1ccccc1	ZINC000004871675	181167311	/nfs/dbraw/zinc/16/73/11/181167311.db2.gz	XVONCLCQNVFBGB-CAPFRKAQSA-N	0	0	311.454	4.404	40	30		DIEBRN
Cc1ccc(S(=O)(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1	ZINC000004954260	181178807	/nfs/dbraw/zinc/17/88/07/181178807.db2.gz	XVOCEKOSQBFFHW-OIISXLGYSA-N	0	0	310.459	4.161	40	30		DIEBRN
Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@@H]3CCCC[C@H]23)cc1	ZINC000004990584	181185876	/nfs/dbraw/zinc/18/58/76/181185876.db2.gz	NESBIDLAHABETR-BHYGNILZSA-N	0	0	308.443	4.059	40	30		DIEBRN
Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000004990581	181185882	/nfs/dbraw/zinc/18/58/82/181185882.db2.gz	NESBIDLAHABETR-HYVNUMGLSA-N	0	0	308.443	4.059	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@]12C	ZINC000005179504	181213724	/nfs/dbraw/zinc/21/37/24/181213724.db2.gz	ANTWOQSCTZFYJO-OCBLOMHFSA-N	0	0	306.490	4.473	40	30		DIEBRN
COc1ccc(/C=C2\C/C(=C\c3ccc(OC)cc3)C2=O)cc1	ZINC000005395678	181239036	/nfs/dbraw/zinc/23/90/36/181239036.db2.gz	MIRDYOPYSWHVBG-MAEUFBSDSA-N	0	0	306.361	4.144	40	30		DIEBRN
Cc1cccc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1O	ZINC000005548807	181255917	/nfs/dbraw/zinc/25/59/17/181255917.db2.gz	MPWIVXNPAREJLH-UDWIEESQSA-N	0	0	320.348	4.297	40	30		DIEBRN
Fc1c(F)c(F)c(SC#Cc2ccccc2)c(F)c1F	ZINC000005601007	181262218	/nfs/dbraw/zinc/26/22/18/181262218.db2.gz	JTJQXTWUGKHRCR-UHFFFAOYSA-N	0	0	300.251	4.483	40	30		DIEBRN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1	ZINC000005617709	181264431	/nfs/dbraw/zinc/26/44/31/181264431.db2.gz	AIRJUQJOVSOBPD-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
C=CCc1cc(C=O)cc(OC)c1OCc1ccccc1Cl	ZINC000005661123	181268577	/nfs/dbraw/zinc/26/85/77/181268577.db2.gz	GLPPZBFOEGMPJN-UHFFFAOYSA-N	0	0	316.784	4.469	40	30		DIEBRN
Cc1ccccc1/C=N\N1C(=O)[C@@H](C)S[C@@H]1c1ccccc1C	ZINC000005663036	181269491	/nfs/dbraw/zinc/26/94/91/181269491.db2.gz	ALFNGVYJTRFKEG-ZGXWBIKRSA-N	0	0	324.449	4.300	40	30		DIEBRN
CCC/C(=N\NC(N)=S)c1ccc(C2CCCCC2)cc1	ZINC000005711157	181275344	/nfs/dbraw/zinc/27/53/44/181275344.db2.gz	YYSXIALKWSAAFX-KNTRCKAVSA-N	0	0	303.475	4.072	40	30		DIEBRN
CCC(CC)(CC)CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005742874	181279156	/nfs/dbraw/zinc/27/91/56/181279156.db2.gz	AQSLAENKMRDRNX-XNTDXEJSSA-N	0	0	308.338	4.117	40	30		DIEBRN
C=C(C)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000005746279	181280446	/nfs/dbraw/zinc/28/04/46/181280446.db2.gz	RLMBPUVQJBQSMK-UHFFFAOYSA-N	0	0	315.438	4.075	40	30		DIEBRN
C=CCN(CC=C)[C@H](C(=O)Cc1ccccc1)c1ccccc1	ZINC000005852301	181289970	/nfs/dbraw/zinc/28/99/70/181289970.db2.gz	MCPPUBNEIDNOJX-NRFANRHFSA-N	0	0	305.421	4.214	40	30		DIEBRN
CC(C)C1=CC2=C[C@H](O)[C@@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000005962494	181301486	/nfs/dbraw/zinc/30/14/86/181301486.db2.gz	QEAIMIKGLGBTSA-BOUXLOLZSA-N	0	0	316.441	4.097	40	30	biogenic,in-vitro	DIEBRN
Cc1ccc(C)c(NN=C(C#N)c2nc3ccccc3s2)c1	ZINC000006189853	181318214	/nfs/dbraw/zinc/31/82/14/181318214.db2.gz	OXKJQZGKFNRKSU-RCCKNPSSSA-N	0	0	306.394	4.253	40	30		DIEBRN
Cc1c(Cl)cccc1NN=C1c2cc(Cl)ccc2NC1=O	ZINC000223740682	201654130	/nfs/dbraw/zinc/65/41/30/201654130.db2.gz	OEPPFXKWEMHLSV-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
C=CCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1	ZINC000225307522	201693161	/nfs/dbraw/zinc/69/31/61/201693161.db2.gz	LEXRJXGZZNHYIU-UHFFFAOYSA-N	0	0	315.800	4.476	40	30		DIEBRN
COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC	ZINC000007743207	181492273	/nfs/dbraw/zinc/49/22/73/181492273.db2.gz	DLNUKQKPVGRZTR-SOFGYWHQSA-N	0	0	302.757	4.253	40	30		DIEBRN
O/N=C(/CC(O)(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000016924572	182064713	/nfs/dbraw/zinc/06/47/13/182064713.db2.gz	QBVVFBCSKNKQBS-XDOYNYLZSA-N	0	0	317.388	4.191	40	30		DIEBRN
CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1N=[N+]=[N-]	ZINC000016942292	182065223	/nfs/dbraw/zinc/06/52/23/182065223.db2.gz	IYMJZWJDIDZUTN-UHFFFAOYSA-N	0	0	310.235	4.372	40	30		DIEBRN
O=C1/C(=C\c2ccc(O)cc2)CCC/C1=C/c1ccc(O)cc1	ZINC000016952957	182065957	/nfs/dbraw/zinc/06/59/57/182065957.db2.gz	MGXGEFQCJBBKND-MCOFMCJXSA-N	0	0	306.361	4.318	40	30		DIEBRN
COc1ccccc1[C@H]1CC(=O)C2C=Nc3ccccc3N=C2C1	ZINC000017054586	182072061	/nfs/dbraw/zinc/07/20/61/182072061.db2.gz	GEMCGARVIWMLRO-CYBMUJFWSA-N	0	0	318.376	4.224	40	30		DIEBRN
COc1ccccc1[C@@H]1CC(=O)C2C=Nc3ccccc3N=C2C1	ZINC000017054583	182072099	/nfs/dbraw/zinc/07/20/99/182072099.db2.gz	GEMCGARVIWMLRO-ZDUSSCGKSA-N	0	0	318.376	4.224	40	30		DIEBRN
CC(=C/C=N\N(C)c1ccccc1)/C=C1/Cc2ccccc2C1=O	ZINC000017064576	182074026	/nfs/dbraw/zinc/07/40/26/182074026.db2.gz	SBPVXQDVGFQDML-HUZZMVKYSA-N	0	0	316.404	4.420	40	30		DIEBRN
C=C(C)C(=O)Oc1ccc(/N=N/c2ccc(C)cc2)ccc1=O	ZINC000017953466	182087891	/nfs/dbraw/zinc/08/78/91/182087891.db2.gz	MRYNEXGYUVXVKV-FMQUCBEESA-N	0	0	308.337	4.252	40	30		DIEBRN
CCCc1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000018022595	182089484	/nfs/dbraw/zinc/08/94/84/182089484.db2.gz	QSIMKGFSGDCQSI-DEDYPNTBSA-N	0	0	313.397	4.416	40	30		DIEBRN
C/N=C1\CC(C)(C)Cc2nc3c(c(C)c21)/C(=N/C)CC(C)(C)C3	ZINC000018251545	182100862	/nfs/dbraw/zinc/10/08/62/182100862.db2.gz	FOPMQNPVENTAJJ-JFMUQQRKSA-N	0	0	311.473	4.173	40	30		DIEBRN
CCCN(CCC#N)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000019691482	182137293	/nfs/dbraw/zinc/13/72/93/182137293.db2.gz	YBDSXZCMFAJRNI-UHFFFAOYSA-N	0	0	300.189	4.151	40	30		DIEBRN
N#Cc1ccc(-c2ccc(SCCO)c(Cl)c2Cl)o1	ZINC000022124749	182309940	/nfs/dbraw/zinc/30/99/40/182309940.db2.gz	YTVAPMJXMQXBHR-UHFFFAOYSA-N	0	0	314.193	4.209	40	30		DIEBRN
COc1ccccc1CSc1nc2c(cc1C#N)CCCC2	ZINC000039325332	183017050	/nfs/dbraw/zinc/01/70/50/183017050.db2.gz	LOQKKYYABWNYPK-UHFFFAOYSA-N	0	0	310.422	4.133	40	30		DIEBRN
CC(C)(C)n1nc(-c2ccc(Cl)cc2Cl)c(C#N)c1N	ZINC000039955310	183024253	/nfs/dbraw/zinc/02/42/53/183024253.db2.gz	XPNUORFWIOQRJA-UHFFFAOYSA-N	0	0	309.200	4.066	40	30		DIEBRN
O=C1Nc2ccc(Cl)cc2C1=NNc1ccc(Cl)cc1	ZINC000043775956	183385737	/nfs/dbraw/zinc/38/57/37/183385737.db2.gz	XEMBXNSWRUFVLD-UHFFFAOYSA-N	0	0	306.152	4.411	40	30		DIEBRN
Cc1sc(N=NCc2ccccc2O)nc1-c1ccccc1	ZINC000103723526	193954352	/nfs/dbraw/zinc/95/43/52/193954352.db2.gz	KVSZWJBRBQPXCO-WQRHYEAKSA-N	0	0	309.394	4.270	40	30		DIEBRN
C=CCSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1	ZINC000058023876	184068982	/nfs/dbraw/zinc/06/89/82/184068982.db2.gz	CGFZQDCXOHSUHI-UHFFFAOYSA-N	0	0	322.437	4.224	40	30		DIEBRN
C=CCOc1cccc(NC(=O)Cc2ccccc2Cl)c1	ZINC000065749320	184378354	/nfs/dbraw/zinc/37/83/54/184378354.db2.gz	NEBNGNPJHYMHBU-UHFFFAOYSA-N	0	0	301.773	4.086	40	30		DIEBRN
N#CC(C#N)[C@H](CC(=O)c1cccs1)c1cccc(Cl)c1	ZINC000001262343	256514055	/nfs/dbraw/zinc/51/40/55/256514055.db2.gz	VXSVYNHOEUJBSH-CQSZACIVSA-N	0	0	314.797	4.421	40	30		DIEBRN
O/N=C1C(=C/c2ccccc2)\CCC[C@@H]\1[C@H](NO)c1ccccc1	ZINC000104285397	256579131	/nfs/dbraw/zinc/57/91/31/256579131.db2.gz	ZRUMPUDVEPDHPW-KZLVKCPFSA-N	0	0	322.408	4.420	40	30		DIEBRN
O=C(Nc1ccc(/N=C/c2cccnc2)cc1)c1ccccc1	ZINC000100384237	256562948	/nfs/dbraw/zinc/56/29/48/256562948.db2.gz	PIRYDCZFCVRYQH-KGENOOAVSA-N	0	0	301.349	4.085	40	30		DIEBRN
CCCCCCCCCC(=O)N(CCC)C[C@H](C)C(=O)OC	ZINC000100921902	256566377	/nfs/dbraw/zinc/56/63/77/256566377.db2.gz	JHSVGLJAUANJFN-INIZCTEOSA-N	0	0	313.482	4.175	40	30		DIEBRN
CC(C)=C[C@H](O)C=C(C)CC(=O)C[C@](C)(O)[C@@H]1CC=C(C)CC1	ZINC000252516728	256612391	/nfs/dbraw/zinc/61/23/91/256612391.db2.gz	WEUVHVLQXALSSL-HQRXLELHSA-N	0	0	320.473	4.107	40	30	biogenic,in-vitro	DIEBRN
COC(=O)c1ccccc1/N=C/c1ccc(N2CCCCC2)cc1	ZINC000059105257	257217237	/nfs/dbraw/zinc/21/72/37/257217237.db2.gz	RWVBZFRZMCKDBB-RCCKNPSSSA-N	0	0	322.408	4.214	40	30		DIEBRN
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1C#N	ZINC000009141785	257218186	/nfs/dbraw/zinc/21/81/86/257218186.db2.gz	UBVKGMOZYAHTTC-UHFFFAOYSA-N	0	0	321.163	4.126	40	30		DIEBRN
CCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1	ZINC000009142109	257218220	/nfs/dbraw/zinc/21/82/20/257218220.db2.gz	VADWEQMJDZNGTQ-UHFFFAOYSA-N	0	0	314.410	4.278	40	30		DIEBRN
Cc1ccsc1/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O	ZINC000007164978	257218862	/nfs/dbraw/zinc/21/88/62/257218862.db2.gz	WRZXLAVXPDNOJX-ZROIWOOFSA-N	0	0	314.435	4.257	40	30		DIEBRN
O=[N+]([O-])c1cc(C=NNc2ccccc2)c(Cl)cc1Cl	ZINC000409208426	257220605	/nfs/dbraw/zinc/22/06/05/257220605.db2.gz	FWXDSWKQFGSCER-PXNMLYILSA-N	0	0	310.140	4.348	40	30		DIEBRN
Cc1cccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1	ZINC000409218366	257220978	/nfs/dbraw/zinc/22/09/78/257220978.db2.gz	UPIPLNMFROFGEP-RUCSPORFSA-N	0	0	302.443	4.084	40	30		DIEBRN
C=CCOc1ccc(CNc2ccc(F)cc2)cc1OCC	ZINC000409199654	257221257	/nfs/dbraw/zinc/22/12/57/257221257.db2.gz	PWXKCTYZTFQADQ-UHFFFAOYSA-N	0	0	301.361	4.401	40	30		DIEBRN
COc1cccc(C=Nc2cccc(C(C)=O)c2)c1OC(C)C	ZINC000409011888	257224042	/nfs/dbraw/zinc/22/40/42/257224042.db2.gz	OWQKZUXKONDLJN-UDWIEESQSA-N	0	0	311.381	4.436	40	30		DIEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\C=C\c1ccccc1	ZINC000409037147	257224398	/nfs/dbraw/zinc/22/43/98/257224398.db2.gz	SGNQWOGIFBBCJV-FJASIERCSA-N	0	0	314.204	4.066	40	30		DIEBRN
Cc1ccsc1CN=Nc1c(F)c(F)c(F)c(F)c1F	ZINC000408974753	257224586	/nfs/dbraw/zinc/22/45/86/257224586.db2.gz	DIKNERRIGLKVPU-JJPRUIFNSA-N	0	0	306.259	4.198	40	30		DIEBRN
CCCCCCCCNC(=O)Nc1ccc2nsnc2c1	ZINC000409000489	257224893	/nfs/dbraw/zinc/22/48/93/257224893.db2.gz	YXBMJNNYAOCTCQ-UHFFFAOYSA-N	0	0	306.435	4.173	40	30		DIEBRN
CC(C)COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408911066	257226121	/nfs/dbraw/zinc/22/61/21/257226121.db2.gz	MSCQAGYLHZDPEY-WQRHYEAKSA-N	0	0	313.357	4.076	40	30		DIEBRN
CCOc1ccc(Cl)cc1C=C1C(=O)c2ccccc2C1=O	ZINC000408812152	257226668	/nfs/dbraw/zinc/22/66/68/257226668.db2.gz	BLGKYVVZJINLCJ-UHFFFAOYSA-N	0	0	312.752	4.201	40	30		DIEBRN
Cc1cccc(NN=C2C=C(c3ccc(C(C)C)cc3)OC2=O)c1	ZINC000408726503	257227122	/nfs/dbraw/zinc/22/71/22/257227122.db2.gz	SGLFLLDYWCALRS-PYCFMQQDSA-N	0	0	320.392	4.484	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C)c1C	ZINC000408739924	257227224	/nfs/dbraw/zinc/22/72/24/257227224.db2.gz	GPZNGRRNDVMHMO-XNHPLOEXSA-N	0	0	305.381	4.045	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c(C)c1	ZINC000408739921	257227420	/nfs/dbraw/zinc/22/74/20/257227420.db2.gz	GOLWEEYPAUCZQM-BAOGCXAUSA-N	0	0	305.381	4.045	40	30		DIEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1	ZINC000408706623	257228601	/nfs/dbraw/zinc/22/86/01/257228601.db2.gz	AYLJMILRWQKUKY-UHFFFAOYSA-N	0	0	318.461	4.190	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC	ZINC000408703848	257228692	/nfs/dbraw/zinc/22/86/92/257228692.db2.gz	ZOCOCDPASUUJAD-MRXNPFEDSA-N	0	0	323.436	4.175	40	30		DIEBRN
CC[C@@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1	ZINC000408597126	257229199	/nfs/dbraw/zinc/22/91/99/257229199.db2.gz	WOWDGFQCTYBDFE-NWGMWSOJSA-N	0	0	308.381	4.286	40	30		DIEBRN
CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1	ZINC000043284768	257230802	/nfs/dbraw/zinc/23/08/02/257230802.db2.gz	QLHTWDQJPOTDMV-UHFFFAOYSA-N	0	0	307.434	4.158	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2ccc(Cl)cc2C)cc1	ZINC000005540576	257231540	/nfs/dbraw/zinc/23/15/40/257231540.db2.gz	FRJMUFUVKIHJEJ-MDZDMXLPSA-N	0	0	301.773	4.466	40	30		DIEBRN
COc1cc(OC)c(OC)cc1/C=N\C1CCCCCCC1	ZINC000104183637	257232529	/nfs/dbraw/zinc/23/25/29/257232529.db2.gz	ZRPAEYATNWCADE-UYRXBGFRSA-N	0	0	305.418	4.244	40	30		DIEBRN
CC(=O)Nc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1	ZINC000104227020	257232589	/nfs/dbraw/zinc/23/25/89/257232589.db2.gz	SWOAPDCGABKMQF-JMIUGGIZSA-N	0	0	306.287	4.414	40	30		DIEBRN
COc1ccc(OC)c(N=Cc2c(O)ccc3ccccc32)c1	ZINC000260840653	333624102	/nfs/dbraw/zinc/62/41/02/333624102.db2.gz	SSRBCJKWTKJNPT-UHFFFAOYSA-N	0	0	307.349	4.313	40	30		DIEBRN
Cc1ccc([C@H]2CC(=O)C=CN2C(=O)OCc2ccccc2)cc1	ZINC000309645985	340430953	/nfs/dbraw/zinc/43/09/53/340430953.db2.gz	YWYCLOVKCNLAQU-LJQANCHMSA-N	0	0	321.376	4.161	40	30		DIEBRN
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(CC#N)cc1	ZINC000020046276	519847978	/nfs/dbraw/zinc/84/79/78/519847978.db2.gz	UTPLZPGYJQZACM-HNNXBMFYSA-N	0	0	322.408	4.282	40	30		DIEBRN
CCCCCCCC[S@](=O)[C@@H](C)Cc1ccc2c(c1)OCO2	ZINC000040454314	520048344	/nfs/dbraw/zinc/04/83/44/520048344.db2.gz	ATTZFSUZZUNHBP-OYHNWAKOSA-N	0	0	324.486	4.456	40	30	in-vitro	DIEBRN
CCN(CC)c1ccc(C=[NH+][N-]c2cccc(Cl)c2)c(O)c1	ZINC000004867222	520882111	/nfs/dbraw/zinc/88/21/11/520882111.db2.gz	SVUOHWVIYCXTIR-XDHOZWIPSA-N	0	0	317.820	4.338	40	30		DIEBRN
COC(=O)c1ccccc1/N=C\C[C@H](C)CCCC(C)(C)O	ZINC000017353435	522256968	/nfs/dbraw/zinc/25/69/68/522256968.db2.gz	BFBPISPWJZMWJN-RMENWYJGSA-N	0	0	305.418	4.143	40	30		DIEBRN
COc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1	ZINC000004980092	525772748	/nfs/dbraw/zinc/77/27/48/525772748.db2.gz	FYPJVBZASNOPMP-WOJGMQOQSA-N	0	0	309.394	4.265	40	30		DIEBRN
Cc1ccc(C(=O)/N=C2\C=C(C)C(=O)C(Cl)=C2C(C)C)cc1	ZINC000026787223	526015637	/nfs/dbraw/zinc/01/56/37/526015637.db2.gz	SPSITRVUEJMJOS-XSFVSMFZSA-N	0	0	315.800	4.254	40	30		DIEBRN
COCc1cc(C)nc(SCc2cccc(Cl)c2)c1C#N	ZINC000006961413	563639228	/nfs/dbraw/zinc/63/92/28/563639228.db2.gz	HYBZYRNOAOBBRA-UHFFFAOYSA-N	0	0	318.829	4.354	40	30		DIEBRN
N#CC1(NC(=O)c2c(Cl)cccc2Cl)CCCCCC1	ZINC000012357194	563366931	/nfs/dbraw/zinc/36/69/31/563366931.db2.gz	ORGPUALGNXTPAW-UHFFFAOYSA-N	0	0	311.212	4.340	40	30		DIEBRN
Fc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001303445	563280793	/nfs/dbraw/zinc/28/07/93/563280793.db2.gz	YGHQGDUYWURLFC-YVLHZVERSA-N	0	0	304.394	4.010	40	30		DIEBRN
N#C[C@@]12CC=C(c3ccccc3)N=C1NC(c1ccccc1)=CC2	ZINC000001645286	563289446	/nfs/dbraw/zinc/28/94/46/563289446.db2.gz	CJIVDAHLJKTXME-UHFFFAOYSA-N	0	0	311.388	4.374	40	30		DIEBRN
CCCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC	ZINC000008648291	563348604	/nfs/dbraw/zinc/34/86/04/563348604.db2.gz	XLEDIUKLRZIKQG-FDCMAIFOSA-N	0	0	306.322	4.037	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C/c2c(O)ccc3ccccc32)c1	ZINC000032101482	563442083	/nfs/dbraw/zinc/44/20/83/563442083.db2.gz	ARLOXIZLSGCIGG-FYJGNVAPSA-N	0	0	319.360	4.473	40	30		DIEBRN
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccccc1	ZINC000075279031	563459612	/nfs/dbraw/zinc/45/96/12/563459612.db2.gz	RKZOFWWAIRGYOM-XDHOZWIPSA-N	0	0	320.352	4.148	40	30		DIEBRN
COc1ccccc1C(=O)/C=C/c1cccc(Br)c1	ZINC000071977157	563501303	/nfs/dbraw/zinc/50/13/03/563501303.db2.gz	DDBAQCQWXNNYKG-MDZDMXLPSA-N	0	0	317.182	4.354	40	30		DIEBRN
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000257345702	563514422	/nfs/dbraw/zinc/51/44/22/563514422.db2.gz	GTGHOZSZMIUVEG-LGCJSCCHSA-N	0	0	314.469	4.291	40	30		DIEBRN
C=CCOc1ccc(C(=O)NCc2cccc3ccccc32)cc1	ZINC000222878770	563524705	/nfs/dbraw/zinc/52/47/05/563524705.db2.gz	JKWALNPFXIEGTG-UHFFFAOYSA-N	0	0	317.388	4.335	40	30		DIEBRN
CC(C)(C)/N=C\c1nnn(-c2ccccc2)c1-c1ccccc1	ZINC000100931199	563554282	/nfs/dbraw/zinc/55/42/82/563554282.db2.gz	TZOBIBBPSUHYAB-ZHZULCJRSA-N	0	0	304.397	4.152	40	30		DIEBRN
CCCCCCCCNC(=O)CSc1nc2ccccc2[nH]1	ZINC000100950372	563554719	/nfs/dbraw/zinc/55/47/19/563554719.db2.gz	YHRCVHSJEQSGEY-UHFFFAOYSA-N	0	0	319.474	4.132	40	30		DIEBRN
CCOC(C/N=C\c1ccc2oc3ccccc3c2c1)OCC	ZINC000104138255	563562365	/nfs/dbraw/zinc/56/23/65/563562365.db2.gz	GFAMNTBPCXNHRA-NDENLUEZSA-N	0	0	311.381	4.404	40	30		DIEBRN
CCCC(C1C(=O)CC(C)CC1=O)C1C(=O)CC(C)CC1=O	ZINC000104262089	563563821	/nfs/dbraw/zinc/56/38/21/563563821.db2.gz	MFZJEKFZJKTTSN-QWRGUYRKSA-N	0	0	306.402	4.025	40	30		DIEBRN
CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C	ZINC000118912543	563592792	/nfs/dbraw/zinc/59/27/92/563592792.db2.gz	ANJQEDFWRSLVBR-WUAATOCISA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(C=O)=C2O	ZINC000118926555	563593353	/nfs/dbraw/zinc/59/33/53/563593353.db2.gz	LIURKLQQPKKGSQ-BADRVWPOSA-N	0	0	318.457	4.011	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1	ZINC000224156503	563594603	/nfs/dbraw/zinc/59/46/03/563594603.db2.gz	DNZGZQIRQGXDHC-UHFFFAOYSA-N	0	0	317.772	4.166	40	30		DIEBRN
C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1	ZINC000225122145	563603681	/nfs/dbraw/zinc/60/36/81/563603681.db2.gz	OVQZUCJWGVQPIC-UHFFFAOYSA-N	0	0	321.467	4.253	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NC2(C)CCCCC2)cc1	ZINC000225868441	563604530	/nfs/dbraw/zinc/60/45/30/563604530.db2.gz	YFWYAOTVBJFKID-UHFFFAOYSA-N	0	0	304.459	4.261	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccccc2C)cc1	ZINC000225879456	563617972	/nfs/dbraw/zinc/61/79/72/563617972.db2.gz	PXCJWBABBDZQNF-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
O=C1Nc2ccccc2/C1=N\c1ccc2[nH]c3ccccc3c2c1	ZINC000017425356	563627208	/nfs/dbraw/zinc/62/72/08/563627208.db2.gz	FJZQHVCIYWAFJP-UHFFFAOYSA-N	0	0	311.344	4.394	40	30		DIEBRN
Cc1ccccc1/N=C1/c2cccnc2-c2ccc([N+](=O)[O-])cc21	ZINC000100671248	563632220	/nfs/dbraw/zinc/63/22/20/563632220.db2.gz	KSRSQUGYFRNPTK-VZCXRCSSSA-N	0	0	315.332	4.448	40	30		DIEBRN
C=CC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1	ZINC000007539909	563640635	/nfs/dbraw/zinc/64/06/35/563640635.db2.gz	GGUGNQLIMNGXPV-UHFFFAOYSA-N	0	0	323.845	4.265	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1	ZINC000008050407	563641691	/nfs/dbraw/zinc/64/16/91/563641691.db2.gz	BMEODMWBTJQSFV-UHFFFAOYSA-N	0	0	311.381	4.291	40	30		DIEBRN
O=C1C=C(N=c2[nH]c3ccccc3[nH]2)C[C@@H](c2cccs2)C1	ZINC000008018524	563641813	/nfs/dbraw/zinc/64/18/13/563641813.db2.gz	AFPCLVQGYNKPOE-LLVKDONJSA-N	0	0	309.394	4.067	40	30		DIEBRN
CCn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21	ZINC000010118860	563651986	/nfs/dbraw/zinc/65/19/86/563651986.db2.gz	YTWWBNAZANQSSV-CIAFOILYSA-N	0	0	311.816	4.438	40	30		DIEBRN
N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(F)c1	ZINC000014258253	563666264	/nfs/dbraw/zinc/66/62/64/563666264.db2.gz	IHTVSHVUMXESQE-UHFFFAOYSA-N	0	0	309.127	4.256	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(OC)c(CC=C)c2)cc1	ZINC000014398779	563667956	/nfs/dbraw/zinc/66/79/56/563667956.db2.gz	ZKTRVYPQRAJCGV-UHFFFAOYSA-N	0	0	323.392	4.241	40	30		DIEBRN
CCCCCCCNS(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000109275203	563690559	/nfs/dbraw/zinc/69/05/59/563690559.db2.gz	ZERUHLBKEVJZJV-UHFFFAOYSA-N	0	0	324.273	4.242	40	30		DIEBRN
C=CCOc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OC	ZINC000057437987	563719039	/nfs/dbraw/zinc/71/90/39/563719039.db2.gz	AYSSNDNRDMLESP-CSKARUKUSA-N	0	0	324.376	4.165	40	30		DIEBRN
COc1ccc2c(c1)CCc1sc(/N=C/c3ccccn3)nc1-2	ZINC000059459307	563770973	/nfs/dbraw/zinc/77/09/73/563770973.db2.gz	RCXFTNWVCCWBHE-RGVLZGJSSA-N	0	0	321.405	4.063	40	30		DIEBRN
COC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)c(C)c1	ZINC000059678477	563772315	/nfs/dbraw/zinc/77/23/15/563772315.db2.gz	XBQOTWNAKVRQMA-KGENOOAVSA-N	0	0	318.376	4.323	40	30		DIEBRN
Clc1ccc(-c2csc(N=NCc3ccccn3)n2)cc1	ZINC000059503446	563772436	/nfs/dbraw/zinc/77/24/36/563772436.db2.gz	UAEPPANNMMJEHF-GIJQJNRQSA-N	0	0	314.801	4.305	40	30		DIEBRN
C=CCCCCCCCCC(=O)NCc1nc2ccccc2[nH]1	ZINC000005012263	563832054	/nfs/dbraw/zinc/83/20/54/563832054.db2.gz	INPCZDZACIGDST-UHFFFAOYSA-N	0	0	313.445	4.486	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C	ZINC000104395611	563832111	/nfs/dbraw/zinc/83/21/11/563832111.db2.gz	BFJGDRRSEQORFA-NXNFSMPISA-N	0	0	312.453	4.468	40	30		DIEBRN
O=C1N/C(=N\c2ccccc2)S/C1=C/C=C/c1ccccc1	ZINC000058602421	563832880	/nfs/dbraw/zinc/83/28/80/563832880.db2.gz	MMJQKYMPVYLATB-NJKRNUQASA-N	0	0	306.390	4.134	40	30		DIEBRN
CCCC(Cl)=NOC(=O)Nc1cc(Cl)ccc1OC	ZINC000100162856	563847280	/nfs/dbraw/zinc/84/72/80/563847280.db2.gz	PTPUTRAEADRBJG-LFIBNONCSA-N	0	0	305.161	4.250	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccccc2F)c(Cl)c1	ZINC000216813527	563855308	/nfs/dbraw/zinc/85/53/08/563855308.db2.gz	LUOPNWMXJBYJPF-UHFFFAOYSA-N	0	0	320.747	4.401	40	30		DIEBRN
C#CCOC(=O)c1ccc(OCc2ccccc2C)c(Cl)c1	ZINC000216812566	563855534	/nfs/dbraw/zinc/85/55/34/563855534.db2.gz	YQXPDEXKAKKPBB-UHFFFAOYSA-N	0	0	314.768	4.017	40	30		DIEBRN
C=CCOC(=O)c1cccc(OCc2ccc(F)cc2Cl)c1	ZINC000216800309	563855539	/nfs/dbraw/zinc/85/55/39/563855539.db2.gz	JWURYTRLTOLQFU-UHFFFAOYSA-N	0	0	320.747	4.401	40	30		DIEBRN
Cc1ccc(NN=Cc2ccc(-n3ccnc3)cc2)cc1Cl	ZINC000007900000	563864083	/nfs/dbraw/zinc/86/40/83/563864083.db2.gz	TXZKLHLXANBSTJ-RGVLZGJSSA-N	0	0	310.788	4.280	40	30		DIEBRN
C(=N/c1nc(-c2ccccc2)cs1)\c1ccc2c(c1)OCO2	ZINC000000123429	563865649	/nfs/dbraw/zinc/86/56/49/563865649.db2.gz	TUWMMFFHDUZSRU-GIJQJNRQSA-N	0	0	308.362	4.289	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1	ZINC000219789778	563868971	/nfs/dbraw/zinc/86/89/71/563868971.db2.gz	ILTVSPUBKICXGO-AWEZNQCLSA-N	0	0	313.372	4.272	40	30		DIEBRN
C=CCSc1ccccc1C(=O)NCCCc1ccccc1	ZINC000219812203	563869173	/nfs/dbraw/zinc/86/91/73/563869173.db2.gz	GLBNCXHGGSFWBC-UHFFFAOYSA-N	0	0	311.450	4.327	40	30		DIEBRN
O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2cccc(F)c2)c1	ZINC000100475897	563875718	/nfs/dbraw/zinc/87/57/18/563875718.db2.gz	UTJABPIGDQAUNW-QGMBQPNBSA-N	0	0	310.231	4.086	40	30		DIEBRN
C#CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OC	ZINC000008570818	563922399	/nfs/dbraw/zinc/92/23/99/563922399.db2.gz	JGMDFJPQZVKZMQ-UDWIEESQSA-N	0	0	313.784	4.420	40	30		DIEBRN
C=CCOc1ccc(/C=N/NCc2ccccc2Cl)cc1	ZINC000008811809	563922435	/nfs/dbraw/zinc/92/24/35/563922435.db2.gz	JRDXDCSFQBAZSB-XDHOZWIPSA-N	0	0	300.789	4.029	40	30		DIEBRN
CCCOc1ccccc1/C=N/NCc1ccccc1Cl	ZINC000008811744	563922497	/nfs/dbraw/zinc/92/24/97/563922497.db2.gz	GIHUJCTYNKHSNE-DEDYPNTBSA-N	0	0	302.805	4.253	40	30		DIEBRN
C=CCOc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1	ZINC000010119018	563922653	/nfs/dbraw/zinc/92/26/53/563922653.db2.gz	QSKPHHUZIVKEQG-DEDYPNTBSA-N	0	0	300.789	4.029	40	30		DIEBRN
CCCOc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1	ZINC000010119016	563922690	/nfs/dbraw/zinc/92/26/90/563922690.db2.gz	ADLPQPDXWSADSW-DEDYPNTBSA-N	0	0	302.805	4.253	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CSc2ccc(C)cc2)c1	ZINC000065749355	563923301	/nfs/dbraw/zinc/92/33/01/563923301.db2.gz	JDCCSHPXLFBABN-UHFFFAOYSA-N	0	0	313.422	4.291	40	30		DIEBRN
Cc1ccc(O)c(NC=CC(=O)c2ccc(OC(C)C)cc2)c1	ZINC000033711270	563924409	/nfs/dbraw/zinc/92/44/09/563924409.db2.gz	GREFTCNNAHNDHD-ZHACJKMWSA-N	0	0	311.381	4.296	40	30		DIEBRN
CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1O	ZINC000007717848	563924432	/nfs/dbraw/zinc/92/44/32/563924432.db2.gz	HAEBSZNHFNYPPB-CMDGGOBGSA-N	0	0	302.757	4.340	40	30		DIEBRN
COc1ccc(Nc2nc3c(C)cccc3cc2C#N)c(OC)c1	ZINC000000421806	563926902	/nfs/dbraw/zinc/92/69/02/563926902.db2.gz	CWUZKAGVLYHFDY-UHFFFAOYSA-N	0	0	319.364	4.176	40	30		DIEBRN
N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1	ZINC000008703018	563927588	/nfs/dbraw/zinc/92/75/88/563927588.db2.gz	UPVIYNYETSJIMC-UHFFFAOYSA-N	0	0	307.231	4.229	40	30		DIEBRN
N#Cc1cc(Br)c(-c2ccc(F)cc2)nc1Cl	ZINC000257197925	563928205	/nfs/dbraw/zinc/92/82/05/563928205.db2.gz	NNCNWOMJANAGGH-UHFFFAOYSA-N	0	0	311.541	4.175	40	30		DIEBRN
N#Cc1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000011800213	563928321	/nfs/dbraw/zinc/92/83/21/563928321.db2.gz	PWBQVISMUSQOJF-UHFFFAOYSA-N	0	0	306.134	4.039	40	30		DIEBRN
CC(C)(C)c1ccc(C(=O)n2ccc3ccc(C#N)cc32)cc1	ZINC000216961248	563941731	/nfs/dbraw/zinc/94/17/31/563941731.db2.gz	KECDLUCDCVWANN-UHFFFAOYSA-N	0	0	302.377	4.499	40	30		DIEBRN
COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1C	ZINC000408976698	563960424	/nfs/dbraw/zinc/96/04/24/563960424.db2.gz	BWFFDWMILZJDJD-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccccc1Cl	ZINC000408980215	563960483	/nfs/dbraw/zinc/96/04/83/563960483.db2.gz	PWBODCDPCCWSOU-UHFFFAOYSA-N	0	0	305.768	4.523	40	30		DIEBRN
COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1C	ZINC000408979553	563960572	/nfs/dbraw/zinc/96/05/72/563960572.db2.gz	MTXQYBHGHLENFM-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
C[C@@H]1CCc2sc(NC(=O)C3CCCCC3)c(C#N)c2C1	ZINC000002769219	568417442	/nfs/dbraw/zinc/41/74/42/568417442.db2.gz	USSUNOPKLXMHMS-LLVKDONJSA-N	0	0	302.443	4.263	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1cc(C)ccc1C	ZINC000105453468	1041275208	/nfs/dbraw/zinc/27/52/08/1041275208.db2.gz	RGLYJKVHSYYPKY-UHFFFAOYSA-N	0	0	318.461	4.109	40	30		DIEBRN
C=CCOc1cccc(NC(=S)Nc2ccc(F)cc2)c1	ZINC000225459632	1044426685	/nfs/dbraw/zinc/42/66/85/1044426685.db2.gz	AIBPZFNJRPIFEL-UHFFFAOYSA-N	0	0	302.374	4.199	40	30		DIEBRN
CC(=O)Nc1ccc(N=Cc2c(O)ccc3ccccc32)cc1	ZINC000253618698	1053358869	/nfs/dbraw/zinc/35/88/69/1053358869.db2.gz	BWGKTGISDMYZSF-UHFFFAOYSA-N	0	0	304.349	4.254	40	30		DIEBRN
CC[C@@H]1C[C@H]2C(=CC1=O)CC[C@H]1C3=CC=C(C(C)=O)[C@H]3CC[C@@H]12	ZINC001570007898	1055882551	/nfs/dbraw/zinc/88/25/51/1055882551.db2.gz	NHEFHXCXIRULLT-KWLVRGKZSA-N	0	0	310.437	4.420	40	30		DIEBRN
CC1=C(N=Nc2c(O)cccc2O)C(=O)[C@@H](c2ccccc2)[C@@H]1C	ZINC001554504442	1058523766	/nfs/dbraw/zinc/52/37/66/1058523766.db2.gz	RYOGOYHSPISXMH-RPWWPNTLSA-N	0	0	322.364	4.458	40	30		DIEBRN
Cc1sc2ncnc(N=NCc3ccc(F)c(F)c3)c2c1C	ZINC000008284637	190631512	/nfs/dbraw/zinc/63/15/12/190631512.db2.gz	RZHCJSRVVBHKAJ-CGOBSMCZSA-N	0	0	318.352	4.032	40	30		DIEBRN
N#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1	ZINC000225497826	201721120	/nfs/dbraw/zinc/72/11/20/201721120.db2.gz	BFRQLDYBBUOSOV-UHFFFAOYSA-N	0	0	313.404	4.347	40	30		DIEBRN
CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1C	ZINC000225757054	201743275	/nfs/dbraw/zinc/74/32/75/201743275.db2.gz	OXIFKVPDSKQBDA-GOSISDBHSA-N	0	0	323.465	4.499	40	30		DIEBRN
O=C(C=CNc1ccc2c(c1)OCO2)c1cccc2ccccc21	ZINC000107559895	185484025	/nfs/dbraw/zinc/48/40/25/185484025.db2.gz	CQAAVSXOVIMZQR-ZHACJKMWSA-N	0	0	317.344	4.377	40	30		DIEBRN
CC(=O)c1ccccc1/N=C(\C)c1cc2ccccc2oc1=O	ZINC000068601591	190776600	/nfs/dbraw/zinc/77/66/00/190776600.db2.gz	JKYDDZCCPXCBML-UDWIEESQSA-N	0	0	305.333	4.136	40	30		DIEBRN
COc1cc(C)c(C(=O)Nc2ccc(CC#N)cc2)cc1C(C)C	ZINC000225657711	186287456	/nfs/dbraw/zinc/28/74/56/186287456.db2.gz	NGRISRZTPGBOEK-UHFFFAOYSA-N	0	0	322.408	4.445	40	30		DIEBRN
CCN(CC)c1ccc(/C=N/c2cc(Cl)ccc2O)c(O)c1	ZINC000001513280	180870811	/nfs/dbraw/zinc/87/08/11/180870811.db2.gz	NJPOZWSJAMPJIY-YBFXNURJSA-N	0	0	318.804	4.348	40	30		DIEBRN
Nc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Cl)cc1Cl	ZINC000004358825	181101732	/nfs/dbraw/zinc/10/17/32/181101732.db2.gz	SHJRCJQTMMBTGH-REZTVBANSA-N	0	0	310.140	4.234	40	30		DIEBRN
O=C1c2ccccc2C(=O)C1=Cc1c(Cl)cccc1Cl	ZINC000004655741	181132765	/nfs/dbraw/zinc/13/27/65/181132765.db2.gz	QUCLXNDVBFVXQZ-UHFFFAOYSA-N	0	0	303.144	4.456	40	30		DIEBRN
COc1ccc(/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000004713194	181141127	/nfs/dbraw/zinc/14/11/27/181141127.db2.gz	HXEKKAPJALGBNE-CGOBSMCZSA-N	0	0	301.214	4.141	40	30		DIEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCc1ccccc1Cl)C2	ZINC000004869928	181166595	/nfs/dbraw/zinc/16/65/95/181166595.db2.gz	DYFAXBUFQVONOC-RDTXWAMCSA-N	0	0	303.833	4.339	40	30		DIEBRN
C=CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)sc2c1	ZINC000073635138	191334161	/nfs/dbraw/zinc/33/41/61/191334161.db2.gz	XXCFRDBQLZGSMV-UHFFFAOYSA-N	0	0	313.353	4.445	40	30		DIEBRN
C=CC[C@@]1(O)C[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@H]1CCC	ZINC000005216268	181217945	/nfs/dbraw/zinc/21/79/45/181217945.db2.gz	HAJGRIJELRSGMX-WTLGNFPFSA-N	0	0	315.413	4.372	40	30		DIEBRN
CN(C)c1ccc(/C=C\C(=O)C(C)(C)C)cc1Br	ZINC000005732661	181278456	/nfs/dbraw/zinc/27/84/56/181278456.db2.gz	AIFPYNBIMVUCNT-CLFYSBASSA-N	0	0	310.235	4.144	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12	ZINC000005735540	181278832	/nfs/dbraw/zinc/27/88/32/181278832.db2.gz	HZWZHWTZLZZBFF-UQYBFTDGSA-N	0	0	302.458	4.125	40	30	in-vitro	DIEBRN
C=C(C)[C@@H]1CC=C(C)[C@](O)([C@]2(O)C[C@H](C(=C)C)CC=C2C)C1	ZINC000005757668	181281585	/nfs/dbraw/zinc/28/15/85/181281585.db2.gz	WPQAOGZTDKTBHI-ZRNYENFQSA-N	0	0	302.458	4.313	40	30		DIEBRN
COc1ccc(OC)c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000005916215	181296073	/nfs/dbraw/zinc/29/60/73/181296073.db2.gz	FAXSYGYUIIACTI-DKABEWEPSA-N	0	0	312.325	4.028	40	30		DIEBRN
O=C(Nc1cccc2ccccc21)O/N=C/c1ccccc1O	ZINC000005949127	181299963	/nfs/dbraw/zinc/29/99/63/181299963.db2.gz	HEIADKBSSRCROB-XDHOZWIPSA-N	0	0	306.321	4.128	40	30		DIEBRN
Cc1ccc(O)c(/C=N/c2ccc(Cc3ccncc3)cc2)c1	ZINC000006266450	181324037	/nfs/dbraw/zinc/32/40/37/181324037.db2.gz	SPRFOKLYCLKSQW-HYARGMPZSA-N	0	0	302.377	4.437	40	30		DIEBRN
C=CCSCC(=O)Nc1sc2c(c1C#N)CCCCCC2	ZINC000006293507	181327292	/nfs/dbraw/zinc/32/72/92/181327292.db2.gz	CUWXJVWCMIZIGL-UHFFFAOYSA-N	0	0	320.483	4.136	40	30		DIEBRN
O=C1c2ccccc2C(=O)C1=Cc1cccn1-c1cccc(F)c1	ZINC000006346836	181333361	/nfs/dbraw/zinc/33/33/61/181333361.db2.gz	UWKMWMIRHGYBJO-UHFFFAOYSA-N	0	0	317.319	4.079	40	30		DIEBRN
Cc1ccc(NN=C2C(=O)Nc3ccc(F)cc32)cc1Cl	ZINC000006674103	181369491	/nfs/dbraw/zinc/36/94/91/181369491.db2.gz	ZYHATNGOTXVEQP-UHFFFAOYSA-N	0	0	303.724	4.205	40	30		DIEBRN
C=CCOc1cccc(NC(=O)Cc2cccc(Cl)c2)c1	ZINC000223149477	201633902	/nfs/dbraw/zinc/63/39/02/201633902.db2.gz	XLSHLLOEODYMNY-UHFFFAOYSA-N	0	0	301.773	4.086	40	30		DIEBRN
C=C1[C@@H]2C[C@@H]3[C@@H](c4cc(OC)cc(OC)c4)OCC[C@]3(C2)[C@@H]1C	ZINC000257201555	202937773	/nfs/dbraw/zinc/93/77/73/202937773.db2.gz	AICKKDWNDOHMRR-VMGFOFSFSA-N	0	0	314.425	4.384	40	30		DIEBRN
COc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)c(OC)c1	ZINC000096463296	193658353	/nfs/dbraw/zinc/65/83/53/193658353.db2.gz	LPRUFFYPROQUDJ-HJWRWDBZSA-N	0	0	320.747	4.392	40	30		DIEBRN
O=C(/C=C/c1ccc(O)c(Br)c1)c1ccccc1	ZINC000016405478	182044036	/nfs/dbraw/zinc/04/40/36/182044036.db2.gz	SHDGVCJTNDFUEQ-SOFGYWHQSA-N	0	0	303.155	4.051	40	30		DIEBRN
O=C(/C=C(/C(=O)c1ccccc1)N1CCCCC1)c1ccccc1	ZINC000016968619	182067354	/nfs/dbraw/zinc/06/73/54/182067354.db2.gz	HRBYRAWQGFNRGI-MNDPQUGUSA-N	0	0	319.404	4.122	40	30		DIEBRN
CN(C)/N=C1\CCCC[C@H]1C(O)(c1ccccc1)c1ccccc1	ZINC000017175818	182078462	/nfs/dbraw/zinc/07/84/62/182078462.db2.gz	GHABZPGWMZILRE-ABDBUPHLSA-N	0	0	322.452	4.030	40	30		DIEBRN
CSC(=Nc1ccccc1)NC(=S)Nc1ccccc1	ZINC000017188933	182079145	/nfs/dbraw/zinc/07/91/45/182079145.db2.gz	QIIJJOYSKDPSJY-UHFFFAOYSA-N	0	0	301.440	4.435	40	30		DIEBRN
CNC(=O)Oc1ccccc1/C=N/Sc1ccc(Cl)cc1	ZINC000017062360	182074099	/nfs/dbraw/zinc/07/40/99/182074099.db2.gz	FOETZLKTUUNNBV-VCHYOVAHSA-N	0	0	320.801	4.184	40	30		DIEBRN
CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1	ZINC000017125633	182076304	/nfs/dbraw/zinc/07/63/04/182076304.db2.gz	DIJLQVWCPJVXOU-CXUHLZMHSA-N	0	0	300.408	4.474	40	30		DIEBRN
O=[N+]([O-])c1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1	ZINC000018038470	182090594	/nfs/dbraw/zinc/09/05/94/182090594.db2.gz	PLAVMUJHFWEAKU-KGENOOAVSA-N	0	0	317.348	4.331	40	30		DIEBRN
C=CCO/N=C(\CCC)C1=C(NC(C)(C)C)CC(C)(C)CC1=O	ZINC000019204905	182107296	/nfs/dbraw/zinc/10/72/96/182107296.db2.gz	BHVPJYGBQHVKOP-KGENOOAVSA-N	0	0	320.477	4.376	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F	ZINC000020672523	182242172	/nfs/dbraw/zinc/24/21/72/182242172.db2.gz	OZEVNJYUKTWYSS-SFHVURJKSA-N	0	0	321.355	4.053	40	30		DIEBRN
C(=N\N1CCCCCC1)\c1ccc(OCc2ccccc2)cc1	ZINC000031659207	182619486	/nfs/dbraw/zinc/61/94/86/182619486.db2.gz	LHFCYVWIIYARJJ-PGMHBOJBSA-N	0	0	308.425	4.476	40	30		DIEBRN
CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C(C)(C)C)ccc1O2	ZINC000040545328	183098954	/nfs/dbraw/zinc/09/89/54/183098954.db2.gz	NQWDZSLEXONLMA-IBGZPJMESA-N	0	0	313.397	4.282	40	30		DIEBRN
CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(C(C)(C)C)ccc1O2	ZINC000040545326	183099235	/nfs/dbraw/zinc/09/92/35/183099235.db2.gz	NQWDZSLEXONLMA-LJQANCHMSA-N	0	0	313.397	4.282	40	30		DIEBRN
CCCCCCCCC/C=C/C[C@@H](CC(=O)OC)C(=O)OC	ZINC000103632979	193949689	/nfs/dbraw/zinc/94/96/89/193949689.db2.gz	DBVBICACWKCOMI-DBTPVHCXSA-N	0	0	312.450	4.426	40	30		DIEBRN
Cc1ccc2c(c1)C(=NNc1ccc(Cl)cc1Cl)C(=O)N2	ZINC000058673306	184126244	/nfs/dbraw/zinc/12/62/44/184126244.db2.gz	SIQIMQNFYMASTF-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1	ZINC000113955782	194623831	/nfs/dbraw/zinc/62/38/31/194623831.db2.gz	ITVDOWWRLRIOBP-LJQANCHMSA-N	0	0	309.409	4.441	40	30		DIEBRN
C(=N/CC/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12	ZINC000104264007	256579084	/nfs/dbraw/zinc/57/90/84/256579084.db2.gz	CCQRXDIXFASIRB-XHQRYOPUSA-N	0	0	314.392	4.187	40	30		DIEBRN
O/N=C1/[C@H](N(Cc2ccccc2)c2ccccc2)[C@@H]2CC[C@H]1C2	ZINC000035191323	256533142	/nfs/dbraw/zinc/53/31/42/256533142.db2.gz	FBWWWHSZHASTEF-MNAYMVLHSA-N	0	0	306.409	4.322	40	30		DIEBRN
CCCC(Cl)=NOC(=O)Nc1ccc(Br)cc1	ZINC000100228942	256561613	/nfs/dbraw/zinc/56/16/13/256561613.db2.gz	VXRQUUTTYZYBRH-GDNBJRDFSA-N	0	0	319.586	4.350	40	30		DIEBRN
CCCCCCCCCC(=O)N(CCC)C[C@@H](C)C(=O)OC	ZINC000100921899	256566404	/nfs/dbraw/zinc/56/64/04/256566404.db2.gz	JHSVGLJAUANJFN-MRXNPFEDSA-N	0	0	313.482	4.175	40	30		DIEBRN
C=CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1	ZINC000224638015	256594794	/nfs/dbraw/zinc/59/47/94/256594794.db2.gz	SYRLNEVWCYNSKC-UHFFFAOYSA-N	0	0	319.763	4.225	40	30		DIEBRN
N#CCC(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000226306813	256597960	/nfs/dbraw/zinc/59/79/60/256597960.db2.gz	YAFZPMSAKIERAL-UHFFFAOYSA-N	0	0	302.333	4.484	40	30		DIEBRN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=O)/C=C\c1ccccc1	ZINC000226338398	256597965	/nfs/dbraw/zinc/59/79/65/256597965.db2.gz	SODPQZYHRWLODB-ZMTAGDELSA-N	0	0	314.425	4.273	40	30		DIEBRN
CC(C)(C)C(=O)/C(=C\c1ccccc1)CNC(=O)c1ccccc1	ZINC000257283344	256621011	/nfs/dbraw/zinc/62/10/11/256621011.db2.gz	OXWVPVAGUOPHBM-JXAWBTAJSA-N	0	0	321.420	4.115	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1C	ZINC000409259728	257220131	/nfs/dbraw/zinc/22/01/31/257220131.db2.gz	DKCSJXHPSHJYPF-UHFFFAOYSA-N	0	0	318.461	4.109	40	30		DIEBRN
CCOc1ccc(/C=C2\Cc3ccccc3C2=O)c(OCC)c1	ZINC000409368558	257220188	/nfs/dbraw/zinc/22/01/88/257220188.db2.gz	BZDZSGJWGWDIJD-FOWTUZBSSA-N	0	0	308.377	4.306	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1ccc2conc2c1	ZINC000409207097	257220733	/nfs/dbraw/zinc/22/07/33/257220733.db2.gz	OYJCFVPQGNXSIO-UHFFFAOYSA-N	0	0	305.447	4.475	40	30		DIEBRN
CCOc1cc2c(cc1/C=N/c1ccc(Cl)cc1)OCO2	ZINC000409099548	257222668	/nfs/dbraw/zinc/22/26/68/257222668.db2.gz	OHWGWRXDCWEEEG-GIJQJNRQSA-N	0	0	303.745	4.218	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O	ZINC000409107968	257223030	/nfs/dbraw/zinc/22/30/30/257223030.db2.gz	UMGWMTHFFAMYBY-IZZDOVSWSA-N	0	0	314.193	4.216	40	30		DIEBRN
COc1cc2c(cc1/C=N\c1cccc(Cl)c1C)OCO2	ZINC000409096432	257223376	/nfs/dbraw/zinc/22/33/76/257223376.db2.gz	JSVOTPHHPXEDFU-LSCVHKIXSA-N	0	0	303.745	4.136	40	30		DIEBRN
C=CCc1cc(/C=N/O)cc(OC)c1OCc1ccc(C)cc1	ZINC000409072838	257223652	/nfs/dbraw/zinc/22/36/52/257223652.db2.gz	DWJXQXZZXDEBMG-UDWIEESQSA-N	0	0	311.381	4.119	40	30		DIEBRN
O=[N+]([O-])c1cccc(/N=C\c2ccc(N3CCCC3)c(F)c2)c1	ZINC000409091586	257223746	/nfs/dbraw/zinc/22/37/46/257223746.db2.gz	VIALLASZJVIHOL-UNOMPAQXSA-N	0	0	313.332	4.085	40	30		DIEBRN
CCN1C2=C(C(=O)CCC2)C(c2ccccc2)C2=C1CCCC2=O	ZINC000409048953	257224119	/nfs/dbraw/zinc/22/41/19/257224119.db2.gz	PNMHKQVOSYGELI-UHFFFAOYSA-N	0	0	321.420	4.120	40	30		DIEBRN
CC(=O)c1ccc(N=Cc2cccn2-c2ccc(O)cc2)cc1	ZINC000409022383	257224216	/nfs/dbraw/zinc/22/42/16/257224216.db2.gz	MKRVXXOFVBVQDW-DEDYPNTBSA-N	0	0	304.349	4.136	40	30		DIEBRN
O=[N+]([O-])c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1	ZINC000408960300	257225204	/nfs/dbraw/zinc/22/52/04/257225204.db2.gz	KWPULMSXEOPGET-RGEXLXHISA-N	0	0	309.369	4.336	40	30		DIEBRN
CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1	ZINC000408960290	257225260	/nfs/dbraw/zinc/22/52/60/257225260.db2.gz	KTIFDAQPSBAAQA-RCCKNPSSSA-N	0	0	322.408	4.214	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N/c2cccc(OC)c2)cc1	ZINC000408955109	257225280	/nfs/dbraw/zinc/22/52/80/257225280.db2.gz	WHHSXVMYVPQNNU-XSFVSMFZSA-N	0	0	306.365	4.245	40	30		DIEBRN
CN(C)c1ccc(-n2cccc2/C=N/c2ccc(F)cc2)cc1	ZINC000408955119	257225329	/nfs/dbraw/zinc/22/53/29/257225329.db2.gz	WJDLMCOBPBFGKG-KGENOOAVSA-N	0	0	307.372	4.433	40	30		DIEBRN
C=CCc1cc(/C=N\c2ccc(N(C)C)cc2)cc(OCC)c1O	ZINC000408848558	257225808	/nfs/dbraw/zinc/22/58/08/257225808.db2.gz	ZTWLVCCTILADPG-STZFKDTASA-N	0	0	324.424	4.336	40	30		DIEBRN
CCCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1	ZINC000408910349	257225836	/nfs/dbraw/zinc/22/58/36/257225836.db2.gz	KFGUUYIDYBMNAW-WBZXNMJOSA-N	0	0	312.394	4.294	40	30		DIEBRN
CC[C@@H](C)Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408911915	257225922	/nfs/dbraw/zinc/22/59/22/257225922.db2.gz	OXVKLLKJKQYQKR-FDIDITGRSA-N	0	0	313.357	4.218	40	30		DIEBRN
O=C1NC(=Nc2ccccc2F)S/C1=C\C=C\c1ccccc1	ZINC000408849911	257225939	/nfs/dbraw/zinc/22/59/39/257225939.db2.gz	ASFFEPXJTYZXDA-FLIHGVEMSA-N	0	0	324.380	4.274	40	30		DIEBRN
C=CCc1cc(/C=N\c2ccc(OC)cc2)cc(OCC)c1O	ZINC000408845985	257226158	/nfs/dbraw/zinc/22/61/58/257226158.db2.gz	OHTQTBNFMLHLND-MOSHPQCFSA-N	0	0	311.381	4.279	40	30		DIEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccccc3)o2)cc1	ZINC000408913967	257226202	/nfs/dbraw/zinc/22/62/02/257226202.db2.gz	WLELXDDFSSVFLE-PDGQHHTCSA-N	0	0	307.309	4.301	40	30		DIEBRN
C=CCN(C(=S)Nc1ccc2nccnc2c1)c1ccccc1	ZINC000408735135	257227196	/nfs/dbraw/zinc/22/71/96/257227196.db2.gz	JXHVGROONWUSMC-UHFFFAOYSA-N	0	0	320.421	4.019	40	30		DIEBRN
O=C1OC(c2cccc3ccccc32)=CC1=NNc1ccccc1	ZINC000408723974	257228038	/nfs/dbraw/zinc/22/80/38/257228038.db2.gz	BLFNCJCRPIBUJU-PYCFMQQDSA-N	0	0	314.344	4.206	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OC	ZINC000408703847	257228431	/nfs/dbraw/zinc/22/84/31/257228431.db2.gz	ZOCOCDPASUUJAD-INIZCTEOSA-N	0	0	323.436	4.175	40	30		DIEBRN
COc1cc(OC)c(/C=C/C(=O)c2ccccc2)cc1Cl	ZINC000408620481	257229014	/nfs/dbraw/zinc/22/90/14/257229014.db2.gz	JJTJSKUMQZIFBM-CMDGGOBGSA-N	0	0	302.757	4.253	40	30		DIEBRN
CC(C)(C)c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000408590643	257229069	/nfs/dbraw/zinc/22/90/69/257229069.db2.gz	HIYUJWVILYNSQF-XDHOZWIPSA-N	0	0	312.369	4.443	40	30		DIEBRN
CCn1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21	ZINC000408592252	257229196	/nfs/dbraw/zinc/22/91/96/257229196.db2.gz	MAACAONSKRHCFK-YBFXNURJSA-N	0	0	323.352	4.120	40	30		DIEBRN
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1C(C)C	ZINC000408594579	257229274	/nfs/dbraw/zinc/22/92/74/257229274.db2.gz	UDLQLOUYMDKPKN-VCHYOVAHSA-N	0	0	315.373	4.145	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccccc2C)cc1OCC	ZINC000408535013	257230102	/nfs/dbraw/zinc/23/01/02/257230102.db2.gz	XERLEDORJZXMGD-UHFFFAOYSA-N	0	0	311.381	4.211	40	30		DIEBRN
CCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1	ZINC000000129449	257266450	/nfs/dbraw/zinc/26/64/50/257266450.db2.gz	PSYPODGCXOAAIK-UHFFFAOYSA-N	0	0	309.369	4.101	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1	ZINC000216886283	517336066	/nfs/dbraw/zinc/33/60/66/517336066.db2.gz	VWZYRQPRXODGCA-DHZHZOJOSA-N	0	0	312.340	4.147	40	30		DIEBRN
C/C=C/C1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O	ZINC000026892961	518508543	/nfs/dbraw/zinc/50/85/43/518508543.db2.gz	ZUUDNKYTYANLMT-FCTQOEHPSA-N	0	0	302.414	4.002	40	30		DIEBRN
C=C(C)CNC(=S)N(Cc1ccccc1)Cc1ccccc1	ZINC000016138585	518608344	/nfs/dbraw/zinc/60/83/44/518608344.db2.gz	HAWMTRLFMLEWEX-UHFFFAOYSA-N	0	0	310.466	4.139	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)NCCCc2ccccc2)c1	ZINC000008570669	518619763	/nfs/dbraw/zinc/61/97/63/518619763.db2.gz	IBNSIVZVBSOOES-UHFFFAOYSA-N	0	0	309.409	4.004	40	30		DIEBRN
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CC#N)cc1	ZINC000020452739	523037929	/nfs/dbraw/zinc/03/79/29/523037929.db2.gz	VAYOSPLEGBXBPB-GOSISDBHSA-N	0	0	322.408	4.166	40	30		DIEBRN
CCc1ccc(CN=Nc2nc3ccccc3nc2Cl)cc1	ZINC000032647122	523873602	/nfs/dbraw/zinc/87/36/02/523873602.db2.gz	CSOPVRXKXFSIIK-YBFXNURJSA-N	0	0	310.788	4.292	40	30		DIEBRN
CSc1nsc(S/C=C\C(=O)c2cccc(C)c2)n1	ZINC000016349039	526233816	/nfs/dbraw/zinc/23/38/16/526233816.db2.gz	BHJMDEDZKOCTKP-SREVYHEPSA-N	0	0	308.453	4.057	40	30		DIEBRN
O=C(O/N=C(\Cc1ccccc1)c1ccccc1)c1ccccc1	ZINC000013407521	526413112	/nfs/dbraw/zinc/41/31/12/526413112.db2.gz	DZPXNVNSHUXZGC-LSDHQDQOSA-N	0	0	315.372	4.490	40	30		DIEBRN
N#C[C@H](C(=O)CCc1nc2ccccc2[nH]1)c1ccccc1Cl	ZINC000000408405	526504506	/nfs/dbraw/zinc/50/45/06/526504506.db2.gz	MNWOTXIILZCRQM-ZDUSSCGKSA-N	0	0	323.783	4.025	40	30		DIEBRN
O=C(/C=C(\C(=O)c1ccccc1)N1CCCCC1)c1ccccc1	ZINC000001655474	527592182	/nfs/dbraw/zinc/59/21/82/527592182.db2.gz	HRBYRAWQGFNRGI-KNTRCKAVSA-N	0	0	319.404	4.122	40	30		DIEBRN
CCN(CC)C(=S)S[C@H](C)O/N=C(/C)c1ccccc1	ZINC000005794454	563331209	/nfs/dbraw/zinc/33/12/09/563331209.db2.gz	FATUOSRFBGNAFS-OPCAMPFDSA-N	0	0	310.488	4.133	40	30		DIEBRN
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccccc3)S2)c1	ZINC000008410966	563347193	/nfs/dbraw/zinc/34/71/93/563347193.db2.gz	VQHUNHDFBRBESD-WJDWOHSUSA-N	0	0	308.406	4.195	40	30		DIEBRN
Cc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)o1	ZINC000008550942	563347891	/nfs/dbraw/zinc/34/78/91/563347891.db2.gz	NRRVHFPEMBXKMQ-MDWZMJQESA-N	0	0	318.785	4.133	40	30		DIEBRN
O=[N+]([O-])c1ccccc1/C=N/NCc1c(Cl)cccc1Cl	ZINC000009195793	563352403	/nfs/dbraw/zinc/35/24/03/563352403.db2.gz	WRBURNXHCBPOEH-CAOOACKPSA-N	0	0	324.167	4.025	40	30		DIEBRN
O=[N+]([O-])c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1	ZINC000009195805	563352408	/nfs/dbraw/zinc/35/24/08/563352408.db2.gz	NTVRAZTZLQANDP-CAOOACKPSA-N	0	0	324.167	4.025	40	30		DIEBRN
CCCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC	ZINC000031769526	563440346	/nfs/dbraw/zinc/44/03/46/563440346.db2.gz	XLEDIUKLRZIKQG-GJPSXPRMSA-N	0	0	306.322	4.037	40	30		DIEBRN
Cc1ccc(NC2=NC(=O)SC2=Cc2ccc(O)cc2)cc1	ZINC000032597676	563442760	/nfs/dbraw/zinc/44/27/60/563442760.db2.gz	NZCKDTLDTICAGT-GDNBJRDFSA-N	0	0	310.378	4.228	40	30		DIEBRN
CC(C)Oc1ccc(CN=NC(=S)Nc2ccccc2)cc1	ZINC000082375156	563461282	/nfs/dbraw/zinc/46/12/82/563461282.db2.gz	TVPKCCBLXLHHNE-LDADJPATSA-N	0	0	313.426	4.206	40	30		DIEBRN
Cc1ccc(S(=O)(=O)OCC2(CCC(C)C)CCC2)cc1	ZINC000096511823	563485968	/nfs/dbraw/zinc/48/59/68/563485968.db2.gz	XVHQSZUIXOXJLN-UHFFFAOYSA-N	0	0	310.459	4.307	40	30		DIEBRN
COc1ccc(OC)c(/C=C/C(=O)c2ccccc2Cl)c1	ZINC000071977043	563501196	/nfs/dbraw/zinc/50/11/96/563501196.db2.gz	GGMVXNPDSWYRQF-VQHVLOKHSA-N	0	0	302.757	4.253	40	30		DIEBRN
COc1ccc(/C=N/c2c(O)ccc3ccccc32)cc1OC	ZINC000100135776	563546436	/nfs/dbraw/zinc/54/64/36/563546436.db2.gz	WLADIRHKJOTLNV-UDWIEESQSA-N	0	0	307.349	4.313	40	30	in-vitro	DIEBRN
C#CCOc1ccc(Br)cc1CNc1ccccc1	ZINC000041640630	563560328	/nfs/dbraw/zinc/56/03/28/563560328.db2.gz	WJILWHISRAHYEI-UHFFFAOYSA-N	0	0	316.198	4.073	40	30		DIEBRN
COc1ccc(/N=C/c2ccc(OC)c(Br)c2)cc1	ZINC000103910396	563561756	/nfs/dbraw/zinc/56/17/56/563561756.db2.gz	BJZIACFUUBEIOG-LICLKQGHSA-N	0	0	320.186	4.217	40	30		DIEBRN
CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)CC1=O	ZINC000118929809	563593938	/nfs/dbraw/zinc/59/39/38/563593938.db2.gz	GYBGISLVORKLBN-HIQFCVFCSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118933756	563594147	/nfs/dbraw/zinc/59/41/47/563594147.db2.gz	RSPVYDFKEFBSTK-INIPNLRTSA-N	0	0	320.448	4.217	40	30		DIEBRN
CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1O	ZINC000006958843	563596378	/nfs/dbraw/zinc/59/63/78/563596378.db2.gz	DVMSAFHDPCGRQC-VCHYOVAHSA-N	0	0	305.761	4.204	40	30		DIEBRN
COC(=O)c1ccc(/C=N/c2cc(C(C)(C)C)ccc2O)cc1	ZINC000000295633	563607763	/nfs/dbraw/zinc/60/77/63/563607763.db2.gz	UAQXYCRKGYVKIS-UDWIEESQSA-N	0	0	311.381	4.227	40	30		DIEBRN
COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000007939560	563641155	/nfs/dbraw/zinc/64/11/55/563641155.db2.gz	OXRPPWJKPZQMAI-RUDMXATFSA-N	0	0	317.728	4.153	40	30		DIEBRN
Clc1ccc(CN/N=C/c2cccc(Br)c2)cc1	ZINC000010118826	563652451	/nfs/dbraw/zinc/65/24/51/563652451.db2.gz	QJBMQKOHBLNYIQ-VCHYOVAHSA-N	0	0	323.621	4.226	40	30		DIEBRN
C=CCOc1ccccc1C=NNCc1ccc(Cl)cc1	ZINC000010118986	563653125	/nfs/dbraw/zinc/65/31/25/563653125.db2.gz	BDUDNGVNEBXEFA-DEDYPNTBSA-N	0	0	300.789	4.029	40	30		DIEBRN
Cc1nc2ccccn2c1/C=N/C1(c2ccc(Cl)cc2)CC1	ZINC000013536041	563659831	/nfs/dbraw/zinc/65/98/31/563659831.db2.gz	IFYCJUIWQCEGCA-UDWIEESQSA-N	0	0	309.800	4.404	40	30		DIEBRN
CC(C)(C)c1ccc(C(=O)n2ccc3cc(C#N)ccc32)cc1	ZINC000216961525	563712599	/nfs/dbraw/zinc/71/25/99/563712599.db2.gz	NNMKODQOGJRXBO-UHFFFAOYSA-N	0	0	302.377	4.499	40	30		DIEBRN
CC(=[NH+][N-]c1ccnc2cc(Cl)ccc12)c1cccc(N)c1	ZINC000007949638	563718247	/nfs/dbraw/zinc/71/82/47/563718247.db2.gz	HFILJPPZPTYTJP-SRZZPIQSSA-N	0	0	310.788	4.307	40	30		DIEBRN
O=C(/C=C\c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000211367469	563723456	/nfs/dbraw/zinc/72/34/56/563723456.db2.gz	MHUCJKXSNDJVNM-HJWRWDBZSA-N	0	0	305.692	4.283	40	30		DIEBRN
CC1(C)COc2ccc(/C=C/C(=O)c3ccccc3)cc2OC1	ZINC000225371489	563753380	/nfs/dbraw/zinc/75/33/80/563753380.db2.gz	XWWZRLUPYBXGDB-CSKARUKUSA-N	0	0	308.377	4.380	40	30		DIEBRN
N#CCc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1	ZINC000225459495	563755982	/nfs/dbraw/zinc/75/59/82/563755982.db2.gz	XUVVXHMKEPILNZ-GOSISDBHSA-N	0	0	321.449	4.117	40	30		DIEBRN
Cc1ccc([C@H](C)NC(=S)Nc2ccc(CC#N)cc2)c(C)c1	ZINC000225475731	563756587	/nfs/dbraw/zinc/75/65/87/563756587.db2.gz	MWPHRBSHZBZLSC-HNNXBMFYSA-N	0	0	323.465	4.417	40	30		DIEBRN
CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1	ZINC000225483125	563757069	/nfs/dbraw/zinc/75/70/69/563757069.db2.gz	XITPWELRJNYLQP-SFHVURJKSA-N	0	0	323.465	4.499	40	30		DIEBRN
Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(CC#N)cc1	ZINC000225753015	563761821	/nfs/dbraw/zinc/76/18/21/563761821.db2.gz	CZJAYJAIAJZDKA-CQSZACIVSA-N	0	0	309.438	4.109	40	30		DIEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccc(C)cc2)cc1	ZINC000225856298	563765210	/nfs/dbraw/zinc/76/52/10/563765210.db2.gz	QFVQLPXXAGPGHV-UHFFFAOYSA-N	0	0	315.420	4.198	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Cc2cccc(C)c2)cc1	ZINC000225856326	563765450	/nfs/dbraw/zinc/76/54/50/563765450.db2.gz	GRZKNZKDDVELLT-UHFFFAOYSA-N	0	0	315.420	4.198	40	30		DIEBRN
C=CCOc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1	ZINC000059515387	563772296	/nfs/dbraw/zinc/77/22/96/563772296.db2.gz	RFSFNHCBNFPQGH-CSKARUKUSA-N	0	0	324.376	4.165	40	30		DIEBRN
Oc1ccc(/C=N\N=C2c3ccccc3Cc3ccccc32)cc1	ZINC000096113517	563774334	/nfs/dbraw/zinc/77/43/34/563774334.db2.gz	GDOBCONATYDXMI-HMAPJEAMSA-N	0	0	312.372	4.168	40	30		DIEBRN
CCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccccc2)cc1	ZINC000100245444	563776543	/nfs/dbraw/zinc/77/65/43/563776543.db2.gz	NMXDCRONHRYPPV-JXAWBTAJSA-N	0	0	321.376	4.210	40	30	biogenic,in-vitro	DIEBRN
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@H]1CC[C@@H]2O	ZINC000253617242	563784881	/nfs/dbraw/zinc/78/48/81/563784881.db2.gz	DKCLFTBKKHWBQS-RBICQRRYSA-N	0	0	318.457	4.011	40	30		DIEBRN
CCOC(=O)/C=C\c1ccc(N=Cc2ccc(OC)cc2)cc1	ZINC000254737411	563785288	/nfs/dbraw/zinc/78/52/88/563785288.db2.gz	FMNNRRPDXZWUAE-UOVJKQRMSA-N	0	0	309.365	4.022	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@]3(C)[C@H](CC[C@@]3(C)O)[C@@H]12	ZINC000263605457	563794656	/nfs/dbraw/zinc/79/46/56/563794656.db2.gz	PTQMMNYJKCSPET-GFHTVSTESA-N	0	0	302.458	4.125	40	30		DIEBRN
COC(=O)c1cccc(/N=C/c2ccc(N3CCCC3)cc2)c1C	ZINC000140613943	563810580	/nfs/dbraw/zinc/81/05/80/563810580.db2.gz	LQEAVGFSNHTXSQ-KGENOOAVSA-N	0	0	322.408	4.132	40	30		DIEBRN
O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1	ZINC000101293162	563812078	/nfs/dbraw/zinc/81/20/78/563812078.db2.gz	AJZXGODXWJLZFQ-LICLKQGHSA-N	0	0	309.350	4.469	40	30		DIEBRN
C=C(C)CSc1nnc(-c2ccc(Br)cc2)o1	ZINC000045952113	563813512	/nfs/dbraw/zinc/81/35/12/563813512.db2.gz	FPGDFXRIUITGAX-UHFFFAOYSA-N	0	0	311.204	4.167	40	30		DIEBRN
O=C1C=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21	ZINC000000036399	563819928	/nfs/dbraw/zinc/81/99/28/563819928.db2.gz	DSCHUUYMIDLFGF-UHFFFAOYSA-N	0	0	317.266	4.080	40	30		DIEBRN
CCCCCCCCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100293645	563832860	/nfs/dbraw/zinc/83/28/60/563832860.db2.gz	HIPWOUSEWCCFDN-GDNBJRDFSA-N	0	0	308.338	4.261	40	30		DIEBRN
C=C(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1	ZINC000001588518	563841426	/nfs/dbraw/zinc/84/14/26/563841426.db2.gz	TUHFYDGLBUXMEC-UHFFFAOYSA-N	0	0	305.337	4.489	40	30		DIEBRN
C=CCOc1cc2c(cc1C/C=C/c1ccc(OC)cc1)OCO2	ZINC000001611520	563841885	/nfs/dbraw/zinc/84/18/85/563841885.db2.gz	DKSQZUNVZVWLPI-SNAWJCMRSA-N	0	0	324.376	4.245	40	30		DIEBRN
C=C(COC(C)=O)C[C@H](/C=C(\C)CCC=C(C)C)OC(C)=O	ZINC000001615501	563841926	/nfs/dbraw/zinc/84/19/26/563841926.db2.gz	ZAXYWVMAJQQJNL-MDNBWPLSSA-N	0	0	308.418	4.120	40	30		DIEBRN
C=CCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)c(C)c1	ZINC000216935287	563858564	/nfs/dbraw/zinc/85/85/64/563858564.db2.gz	DGMZAPYHRSHBLR-UHFFFAOYSA-N	0	0	320.344	4.111	40	30		DIEBRN
Cc1cc(C#N)c(C)n1-c1ccc(Br)cc1Cl	ZINC000223706103	563863598	/nfs/dbraw/zinc/86/35/98/563863598.db2.gz	UNGMORZJEAVTDT-UHFFFAOYSA-N	0	0	309.594	4.382	40	30		DIEBRN
C=CCSc1ccccc1C(=O)NCCSC(C)(C)C	ZINC000219802571	563869039	/nfs/dbraw/zinc/86/90/39/563869039.db2.gz	NHBFVVKQAOMUKC-UHFFFAOYSA-N	0	0	309.500	4.226	40	30		DIEBRN
C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3)sc2C1	ZINC000001959695	563886165	/nfs/dbraw/zinc/88/61/65/563886165.db2.gz	PMBUEFZELJVWLC-AORWBKJGSA-N	0	0	322.433	4.396	40	30		DIEBRN
CCOC(=O)[C@H](C#N)C(CC)(c1ccccc1)c1ccccc1	ZINC000001730895	563895932	/nfs/dbraw/zinc/89/59/32/563895932.db2.gz	ZSUDSIFYBDBEED-SFHVURJKSA-N	0	0	307.393	4.086	40	30		DIEBRN
Cc1cc(/C=N/c2ccccc2)c(C)n1NC(=O)c1ccccc1	ZINC000008334681	563922278	/nfs/dbraw/zinc/92/22/78/563922278.db2.gz	ALXQNMPVLSKYOE-KGENOOAVSA-N	0	0	317.392	4.239	40	30		DIEBRN
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C/C(=N/O)CC[C@]34C)[C@H]1CC[C@@H]2O	ZINC000035415709	563923929	/nfs/dbraw/zinc/92/39/29/563923929.db2.gz	VHLNMRCAXRWHOK-KAKGRPGMSA-N	0	0	305.462	4.220	40	30		DIEBRN
Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1O	ZINC000108014780	563924584	/nfs/dbraw/zinc/92/45/84/563924584.db2.gz	QZKGFIDQHQIEBX-CAOOACKPSA-N	0	0	304.733	4.321	40	30		DIEBRN
COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCCC3)cc2)c1	ZINC000147493034	563924667	/nfs/dbraw/zinc/92/46/67/563924667.db2.gz	GPORZCSCIRIGQI-KGENOOAVSA-N	0	0	322.408	4.132	40	30		DIEBRN
N#Cc1cc(Br)c(-c2cccc(F)c2)nc1Cl	ZINC000257198187	563928240	/nfs/dbraw/zinc/92/82/40/563928240.db2.gz	VLZUHWNGSXPXEC-UHFFFAOYSA-N	0	0	311.541	4.175	40	30		DIEBRN
OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002526248	563938448	/nfs/dbraw/zinc/93/84/48/563938448.db2.gz	QZDCHCYMFXJOCS-UHFFFAOYSA-N	0	0	320.195	4.397	40	30		DIEBRN
CC(C)(C)c1nc(Cl)cc(Nc2cccc(F)c2C#N)n1	ZINC000162837006	563941926	/nfs/dbraw/zinc/94/19/26/563941926.db2.gz	FIAUDPCTXXDWID-UHFFFAOYSA-N	0	0	304.756	4.182	40	30		DIEBRN
N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(Cl)cc1	ZINC000408978993	563960484	/nfs/dbraw/zinc/96/04/84/563960484.db2.gz	KTJNQXQUKFHUTD-UHFFFAOYSA-N	0	0	305.768	4.523	40	30		DIEBRN
N#Cc1c(N)ncc(-c2ccccc2)c1-c1c[nH]c2ccccc12	ZINC000408981135	563960494	/nfs/dbraw/zinc/96/04/94/563960494.db2.gz	UTFZVPZVHWECAO-UHFFFAOYSA-N	0	0	310.360	4.351	40	30		DIEBRN
COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000103866265	1041242686	/nfs/dbraw/zinc/24/26/86/1041242686.db2.gz	KXOBCQOYUGOJDQ-GIJQJNRQSA-N	0	0	305.761	4.044	40	30		DIEBRN
CC[C@@H](N/C(=N\C#N)SC)c1ccc(Cl)c(Cl)c1	ZINC000013998709	1041503200	/nfs/dbraw/zinc/50/32/00/1041503200.db2.gz	BQTHJQHFCNEYJJ-LLVKDONJSA-N	0	0	302.230	4.234	40	30		DIEBRN
N#Cc1cc2nc(-c3ccccc3)n(-c3ccccc3)c2cc1C#N	ZINC000015080234	1042463141	/nfs/dbraw/zinc/46/31/41/1042463141.db2.gz	ONECVEDHSLCJCR-UHFFFAOYSA-N	0	0	320.355	4.436	40	30		DIEBRN
Cc1nn(CCC#N)c2nc3cccc(Cl)c3c(Cl)c12	ZINC000255188970	1042484794	/nfs/dbraw/zinc/48/47/94/1042484794.db2.gz	MWMIGTZQAGGDSI-UHFFFAOYSA-N	0	0	305.168	4.113	40	30		DIEBRN
Cc1nn(CCC#N)c2nc3ccc(Cl)cc3c(Cl)c12	ZINC000255189135	1042485285	/nfs/dbraw/zinc/48/52/85/1042485285.db2.gz	NYXGAEQHZUELCE-UHFFFAOYSA-N	0	0	305.168	4.113	40	30		DIEBRN
C[C@@H]1C=C2[C@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@]2(C)CCC(=O)C=C12	ZINC000263592635	1044814089	/nfs/dbraw/zinc/81/40/89/1044814089.db2.gz	AIIKBXMSWCMKJB-LFZOHJIFSA-N	0	0	300.442	4.045	40	30		DIEBRN
C[C@@H]1C=C2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	ZINC000263592637	1044814530	/nfs/dbraw/zinc/81/45/30/1044814530.db2.gz	AIIKBXMSWCMKJB-UNJYMBQKSA-N	0	0	300.442	4.045	40	30		DIEBRN
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3C(=C)C[C@@]21CC	ZINC000096030444	1057624206	/nfs/dbraw/zinc/62/42/06/1057624206.db2.gz	GCKFUYQCUCGESZ-GVUKCBQMSA-N	0	0	324.464	4.049	40	30	world	DIEBRN
CC1=C(N=Nc2c(O)cccc2O)C(=O)[C@H](c2ccccc2)[C@@H]1C	ZINC001554504440	1058522502	/nfs/dbraw/zinc/52/25/02/1058522502.db2.gz	RYOGOYHSPISXMH-BLPDSOTHSA-N	0	0	322.364	4.458	40	30		DIEBRN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(C)=O)cc1	ZINC000072238813	191082044	/nfs/dbraw/zinc/08/20/44/191082044.db2.gz	JVZDBPCFHFRERT-CMDGGOBGSA-N	0	0	318.376	4.150	40	30		DIEBRN
C=CCC1=C(C)[C@@H](OC(=O)/C=C/c2ccccc2Cl)CC1=O	ZINC000001598975	180877601	/nfs/dbraw/zinc/87/76/01/180877601.db2.gz	SDQAOKBAZBWUMM-FVNWOWOISA-N	0	0	316.784	4.130	40	30		DIEBRN
C=CCC1=C(C)[C@H](OC(=O)/C=C/c2ccccc2Cl)CC1=O	ZINC000001598973	180877857	/nfs/dbraw/zinc/87/78/57/180877857.db2.gz	SDQAOKBAZBWUMM-OAGJVSPASA-N	0	0	316.784	4.130	40	30		DIEBRN
CN(C)c1ccc(/C=C/C(=O)C(C)(C)C)cc1Br	ZINC000001628755	180881055	/nfs/dbraw/zinc/88/10/55/180881055.db2.gz	AIFPYNBIMVUCNT-VQHVLOKHSA-N	0	0	310.235	4.144	40	30		DIEBRN
Cc1ccccc1NN=C(C#N)c1nc(-c2ccccc2)cs1	ZINC000004292748	181093826	/nfs/dbraw/zinc/09/38/26/181093826.db2.gz	IDJOMVVUXQQBTD-JWGURIENSA-N	0	0	318.405	4.458	40	30		DIEBRN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)/C=C/c1ccccc1	ZINC000004266906	181090223	/nfs/dbraw/zinc/09/02/23/181090223.db2.gz	SODPQZYHRWLODB-OQVAWZMBSA-N	0	0	314.425	4.273	40	30		DIEBRN
CCCC[C@@H](CC)COP(=O)(OCCC#N)OCCC#N	ZINC000004429765	181108960	/nfs/dbraw/zinc/10/89/60/181108960.db2.gz	UOYKKIGJUHVJCA-CQSZACIVSA-N	0	0	316.338	4.188	40	30		DIEBRN
Cc1ccc2nc(CC(=O)C(C)C)c(CC(=O)C(C)C)nc2c1	ZINC000004706886	181140515	/nfs/dbraw/zinc/14/05/15/181140515.db2.gz	NUUKULWYWJAUAQ-CQRYCMKKSA-N	0	0	312.413	4.050	40	30		DIEBRN
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000004706034	181140529	/nfs/dbraw/zinc/14/05/29/181140529.db2.gz	CQNNLXQECGKHEH-DNDRQTMDSA-N	0	0	300.442	4.333	40	30		DIEBRN
N#CC(=NNc1ccccc1)c1nc(-c2ccccc2)cs1	ZINC000004712315	181140857	/nfs/dbraw/zinc/14/08/57/181140857.db2.gz	SIEFDCVDNKRXFY-QNGOZBTKSA-N	0	0	304.378	4.150	40	30		DIEBRN
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CCC[C@@H]12	ZINC000004727214	181143225	/nfs/dbraw/zinc/14/32/25/181143225.db2.gz	FFZVTLPCFSOGJI-FGSPNWDHSA-N	0	0	302.458	4.269	40	30		DIEBRN
COc1ccc(C(=O)N=C(c2ccccc2)c2ccccc2)cc1	ZINC000004737171	181144722	/nfs/dbraw/zinc/14/47/22/181144722.db2.gz	CDWKQYYLIHUQJA-UHFFFAOYSA-N	0	0	315.372	4.373	40	30		DIEBRN
C=CCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1	ZINC000073634086	191332702	/nfs/dbraw/zinc/33/27/02/191332702.db2.gz	WZEUPLVIYNGPTK-UHFFFAOYSA-N	0	0	313.740	4.491	40	30		DIEBRN
N#CCSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N	ZINC000004954123	181178730	/nfs/dbraw/zinc/17/87/30/181178730.db2.gz	WVEZCEVLMDNQHA-UHFFFAOYSA-N	0	0	319.311	4.255	40	30		DIEBRN
CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1	ZINC000005370580	181235388	/nfs/dbraw/zinc/23/53/88/181235388.db2.gz	AWJGXRCEWNDFHN-CAOOACKPSA-N	0	0	313.235	4.043	40	30		DIEBRN
C=CCS/C(=N\C#N)S/C=C/C(=O)c1ccc(F)cc1	ZINC000005377481	181236249	/nfs/dbraw/zinc/23/62/49/181236249.db2.gz	LAKNONGWLGKEOQ-RRYROPAKSA-N	0	0	306.387	4.012	40	30		DIEBRN
CCN(CC)c1ccc(/C=N/c2nc(Cl)cc(Cl)n2)cc1	ZINC000005321821	181229133	/nfs/dbraw/zinc/22/91/33/181229133.db2.gz	GCDSPAAHTKGXKU-VCHYOVAHSA-N	0	0	323.227	4.380	40	30		DIEBRN
CC1=C/C(=N\C(=O)c2ccc(Cl)cc2)C(C(C)C)=CC1=O	ZINC000005523693	181253330	/nfs/dbraw/zinc/25/33/30/181253330.db2.gz	MCYNKRGTRMQCQK-XDJHFCHBSA-N	0	0	301.773	4.033	40	30		DIEBRN
CCn1c(C)c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000005569451	181258699	/nfs/dbraw/zinc/25/86/99/181258699.db2.gz	ZVKPIHNXAJLBGP-XDHOZWIPSA-N	0	0	322.368	4.324	40	30		DIEBRN
O=C1c2ccccc2SC[C@]12O[C@H]2c1ccc(Cl)cc1	ZINC000005663325	181269191	/nfs/dbraw/zinc/26/91/91/181269191.db2.gz	VYVHONMJLUAOAQ-HOTGVXAUSA-N	0	0	302.782	4.139	40	30		DIEBRN
Clc1ccc(-c2csc(N=NCc3cccnc3)n2)cc1	ZINC000006225995	181321125	/nfs/dbraw/zinc/32/11/25/181321125.db2.gz	CQOKTEJQLSCHFO-GIJQJNRQSA-N	0	0	314.801	4.305	40	30		DIEBRN
CC(/C=N/NC(=S)Nc1ccccc1F)=C\c1ccccc1	ZINC000006298515	181327150	/nfs/dbraw/zinc/32/71/50/181327150.db2.gz	MFMBYAIWNLTBQE-SZFRVYISSA-N	0	0	313.401	4.201	40	30		DIEBRN
C=CCSc1nc2ccccc2n1C(=O)c1cccs1	ZINC000006419491	181339880	/nfs/dbraw/zinc/33/98/80/181339880.db2.gz	BICUZXNXXHIIOC-UHFFFAOYSA-N	0	0	300.408	4.064	40	30		DIEBRN
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1	ZINC000006896689	181403237	/nfs/dbraw/zinc/40/32/37/181403237.db2.gz	BRAXXKQWALMLSB-RQZCQDPDSA-N	0	0	324.236	4.314	40	30		DIEBRN
N#Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1	ZINC000011374307	181689963	/nfs/dbraw/zinc/68/99/63/181689963.db2.gz	VSIJTFLYVXFDNY-UHFFFAOYSA-N	0	0	323.739	4.119	40	30		DIEBRN
O=C1C=Cc2ccccc2C1=NNc1cccc(C(F)(F)F)c1	ZINC000013302215	181841305	/nfs/dbraw/zinc/84/13/05/181841305.db2.gz	NWLSLAUVYKCYFS-CJLVFECKSA-N	0	0	316.282	4.118	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2cccc(OCC)c2)ccc1OC	ZINC000013613173	181869066	/nfs/dbraw/zinc/86/90/66/181869066.db2.gz	GZACZWPEIWIGDT-UHFFFAOYSA-N	0	0	311.381	4.075	40	30		DIEBRN
Cc1c(Cl)cccc1N/N=C1/Sc2ccccc2C1=O	ZINC000016249981	182038829	/nfs/dbraw/zinc/03/88/29/182038829.db2.gz	ACIRPFCRMZXGCZ-OBGWFSINSA-N	0	0	302.786	4.362	40	30		DIEBRN
O=[N+]([O-])c1ccc(CC=CN=Nc2nc3ccccc3s2)cc1	ZINC000016545377	182049226	/nfs/dbraw/zinc/04/92/26/182049226.db2.gz	FGBOPDBABTYGRP-IYPPWORVSA-N	0	0	324.365	4.316	40	30		DIEBRN
COc1ccc(C(=O)/C=C/S/C(=N/C#N)SC(C)C)cc1	ZINC000016575709	182049577	/nfs/dbraw/zinc/04/95/77/182049577.db2.gz	BWPOCRDXQPWAEY-BFRXKNJOSA-N	0	0	320.439	4.103	40	30		DIEBRN
Cc1ccc(/C=C2\COC/C(=C/c3ccc(C)cc3)C2=O)cc1	ZINC000016955560	182065639	/nfs/dbraw/zinc/06/56/39/182065639.db2.gz	ATYNPNUVLVKRFM-UHWBUFEVSA-N	0	0	304.389	4.370	40	30		DIEBRN
COc1ccc(/C=N\c2c(O)ccc3c2CCCC3)cc1OC	ZINC000017147805	182077131	/nfs/dbraw/zinc/07/71/31/182077131.db2.gz	XLHFBYNNKLZCKK-NDENLUEZSA-N	0	0	311.381	4.039	40	30		DIEBRN
C[C@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	ZINC000017300207	182081814	/nfs/dbraw/zinc/08/18/14/182081814.db2.gz	QRHBXQAFGLVWFW-ZTFPFXEASA-N	0	0	302.458	4.125	40	30		DIEBRN
CCCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC	ZINC000017951672	182088325	/nfs/dbraw/zinc/08/83/25/182088325.db2.gz	XLEDIUKLRZIKQG-BQBRZILWSA-N	0	0	306.322	4.037	40	30		DIEBRN
N#CCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1	ZINC000018145477	182094738	/nfs/dbraw/zinc/09/47/38/182094738.db2.gz	SBQUTYSPFGOJLL-UHFFFAOYSA-N	0	0	301.802	4.215	40	30		DIEBRN
Cc1ccc2c(n1)sc1c2nc(N)c(C#N)c1-c1ccccc1	ZINC000019798008	182150903	/nfs/dbraw/zinc/15/09/03/182150903.db2.gz	JXDFFCDUPOKUII-UHFFFAOYSA-N	0	0	316.389	4.274	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@H](CC)c2ccccc2)ccc1OC	ZINC000020458144	182220103	/nfs/dbraw/zinc/22/01/03/182220103.db2.gz	XFTJBCKTPMMWEK-GOSISDBHSA-N	0	0	309.409	4.305	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1	ZINC000023081348	182347223	/nfs/dbraw/zinc/34/72/23/182347223.db2.gz	VGISOZJVXLAIDE-LJQANCHMSA-N	0	0	307.393	4.059	40	30		DIEBRN
C=C(C)C(=O)Oc1ccc(/N=N\c2ccc(C)cc2)ccc1=O	ZINC000100251301	193797921	/nfs/dbraw/zinc/79/79/21/193797921.db2.gz	MRYNEXGYUVXVKV-VXPUYCOJSA-N	0	0	308.337	4.252	40	30		DIEBRN
S=C(N/N=C\c1cccc(Cl)c1Cl)Nc1ccccc1	ZINC000033322980	182704584	/nfs/dbraw/zinc/70/45/84/182704584.db2.gz	MZLKKVPCKGFSOT-MFOYZWKCSA-N	0	0	324.236	4.314	40	30		DIEBRN
CCCCCCCC(=S)N1CCN(c2ccccc2)CC1	ZINC000104060741	193977429	/nfs/dbraw/zinc/97/74/29/193977429.db2.gz	BHGSWFQWHSLSBF-UHFFFAOYSA-N	0	0	304.503	4.497	40	30		DIEBRN
CCc1cc(-c2ccc(/C=N/O)o2)cc(C)c1Br	ZINC000045889505	183534606	/nfs/dbraw/zinc/53/46/06/183534606.db2.gz	RJWIPHOJBBQFBS-LZYBPNLTSA-N	0	0	308.175	4.388	40	30		DIEBRN
COc1ccc2c(c1)CCc1sc(/N=C/c3ccco3)nc1-2	ZINC000059459305	184138772	/nfs/dbraw/zinc/13/87/72/184138772.db2.gz	ORZNZRXCSCTQTA-VCHYOVAHSA-N	0	0	310.378	4.261	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2OC)c1	ZINC000060014575	184143546	/nfs/dbraw/zinc/14/35/46/184143546.db2.gz	BNLFBYAKUOTFFD-UHFFFAOYSA-N	0	0	317.772	4.166	40	30		DIEBRN
CC1=CC(=O)C[C@H]2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C	ZINC000118916760	194940914	/nfs/dbraw/zinc/94/09/14/194940914.db2.gz	ANJQEDFWRSLVBR-VHFYFXPLSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118919271	194941175	/nfs/dbraw/zinc/94/11/75/194941175.db2.gz	IFIMOKPOZBFPSW-CNFQODSWSA-N	0	0	314.469	4.269	40	30		DIEBRN
CCCCCCCCCCCCCCOC(=O)CO[N+](=O)[O-]	ZINC000104320493	256579277	/nfs/dbraw/zinc/57/92/77/256579277.db2.gz	KQCHGTULTJPHBU-UHFFFAOYSA-N	0	0	317.426	4.439	40	30		DIEBRN
Cc1ccc(/N=C/c2cccn2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000059302633	256539888	/nfs/dbraw/zinc/53/98/88/256539888.db2.gz	DMPKMCHUWUJVAN-CPNJWEJPSA-N	0	0	305.337	4.445	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2ccc(Cl)cc2F)cc1	ZINC000100662134	256564524	/nfs/dbraw/zinc/56/45/24/256564524.db2.gz	PEISTUARQFOCKN-HJWRWDBZSA-N	0	0	305.736	4.296	40	30		DIEBRN
CCCCCCCCCCCCOc1coc(CO)cc1=O	ZINC000104995309	256580535	/nfs/dbraw/zinc/58/05/35/256580535.db2.gz	QABSXLSSXVUEGX-UHFFFAOYSA-N	0	0	310.434	4.432	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927640	256585366	/nfs/dbraw/zinc/58/53/66/256585366.db2.gz	OGEYIYINQNEDRP-GCOKGBOCSA-N	0	0	316.485	4.227	40	30		DIEBRN
COc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1Cl	ZINC000059138416	257217316	/nfs/dbraw/zinc/21/73/16/257217316.db2.gz	NVVUSQBFZDDAEZ-WOJGMQOQSA-N	0	0	304.777	4.292	40	30		DIEBRN
Cc1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	ZINC000059104352	257217322	/nfs/dbraw/zinc/21/73/22/257217322.db2.gz	DMGBJIKMLDRBKV-CPNJWEJPSA-N	0	0	309.369	4.254	40	30		DIEBRN
C=CCOc1ccc(NC(=O)CCc2ccc(CC)cc2)cc1	ZINC000010434352	257218002	/nfs/dbraw/zinc/21/80/02/257218002.db2.gz	GZCAOWYTPASYHW-UHFFFAOYSA-N	0	0	309.409	4.385	40	30		DIEBRN
O=C(C=CNc1ccc([N+](=O)[O-])c(Cl)c1)c1cccs1	ZINC000409350892	257220000	/nfs/dbraw/zinc/22/00/00/257220000.db2.gz	UVMOHPOLGWKQGB-AATRIKPKSA-N	0	0	308.746	4.118	40	30		DIEBRN
CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccccn3)c2C)cc1	ZINC000409247040	257220004	/nfs/dbraw/zinc/22/00/04/257220004.db2.gz	BLTFETGOOVXPGZ-LPYMAVHISA-N	0	0	317.392	4.442	40	30		DIEBRN
COc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccccc1	ZINC000409235847	257220711	/nfs/dbraw/zinc/22/07/11/257220711.db2.gz	COGFDRIPLPUYBO-HMMYKYKNSA-N	0	0	309.413	4.132	40	30		DIEBRN
Cc1ccccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O	ZINC000409203951	257220911	/nfs/dbraw/zinc/22/09/11/257220911.db2.gz	ZVJKOUYKBBBVRA-RUCSPORFSA-N	0	0	302.443	4.084	40	30		DIEBRN
Cc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1C	ZINC000409131194	257221830	/nfs/dbraw/zinc/22/18/30/257221830.db2.gz	NMVDOMHSBPFLRG-FYJGNVAPSA-N	0	0	312.388	4.030	40	30		DIEBRN
C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OC	ZINC000409121151	257222570	/nfs/dbraw/zinc/22/25/70/257222570.db2.gz	YSPCJNSKJLKWGL-UHFFFAOYSA-N	0	0	313.397	4.053	40	30		DIEBRN
Cc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl	ZINC000409099382	257222968	/nfs/dbraw/zinc/22/29/68/257222968.db2.gz	QYVAWTUEHAHWOO-DEDYPNTBSA-N	0	0	314.816	4.236	40	30		DIEBRN
COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccccc1C	ZINC000409099749	257223130	/nfs/dbraw/zinc/22/31/30/257223130.db2.gz	LJMNAQARMKYVIA-STZFKDTASA-N	0	0	324.424	4.363	40	30		DIEBRN
CCOc1cc2c(cc1/C=N/c1ccccc1Cl)OCO2	ZINC000409089910	257223674	/nfs/dbraw/zinc/22/36/74/257223674.db2.gz	PCAIINQGPOQFIU-GIJQJNRQSA-N	0	0	303.745	4.218	40	30		DIEBRN
COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cccc(C)c1	ZINC000409094791	257223721	/nfs/dbraw/zinc/22/37/21/257223721.db2.gz	GHJSGFBFNMABMZ-STZFKDTASA-N	0	0	324.424	4.363	40	30		DIEBRN
COc1ccc2c(c1)Cc1sc(/N=C\c3ccccc3)nc1-2	ZINC000409047030	257224075	/nfs/dbraw/zinc/22/40/75/257224075.db2.gz	MDALDSRQABJBGA-ODLFYWEKSA-N	0	0	306.390	4.474	40	30		DIEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccccc1Cl	ZINC000409043683	257224235	/nfs/dbraw/zinc/22/42/35/257224235.db2.gz	ZAIWEKBZTWCKIO-IPKBDRFQSA-N	0	0	322.611	4.054	40	30		DIEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(Cl)cc1	ZINC000409033284	257224372	/nfs/dbraw/zinc/22/43/72/257224372.db2.gz	KQXBGJAZPBVHNU-IPKBDRFQSA-N	0	0	322.611	4.054	40	30		DIEBRN
Cc1cc(C)nc(N=NCc2ccc(Sc3ccccc3)o2)n1	ZINC000408993235	257224567	/nfs/dbraw/zinc/22/45/67/257224567.db2.gz	CXOQNSUAYUFIEN-WQRHYEAKSA-N	0	0	324.409	4.284	40	30		DIEBRN
COc1ccccc1/C=N/c1c(C)nn(-c2ccccc2)c1C	ZINC000408976846	257224705	/nfs/dbraw/zinc/22/47/05/257224705.db2.gz	SOWKVHBYSPSTRJ-DEDYPNTBSA-N	0	0	305.381	4.248	40	30		DIEBRN
Cc1cc(N2CCCC2)ccc1/C=N\c1ccc2c(c1)OCO2	ZINC000408961688	257225215	/nfs/dbraw/zinc/22/52/15/257225215.db2.gz	UPMWKQOJRQXXDZ-NDENLUEZSA-N	0	0	308.381	4.075	40	30		DIEBRN
CCOC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1	ZINC000408847155	257225842	/nfs/dbraw/zinc/22/58/42/257225842.db2.gz	PMOAWBDUHKPUNI-BKUYFWCQSA-N	0	0	320.392	4.414	40	30		DIEBRN
COC(=O)c1ccc(/N=C\c2ccc(N3CCCC3)c(C)c2)cc1	ZINC000408856259	257225971	/nfs/dbraw/zinc/22/59/71/257225971.db2.gz	PXBOLBBUFSXJPZ-STZFKDTASA-N	0	0	322.408	4.132	40	30		DIEBRN
C#CC(C)(C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1	ZINC000408907509	257226102	/nfs/dbraw/zinc/22/61/02/257226102.db2.gz	PQHIRBWDYPCJQC-SAPNQHFASA-N	0	0	323.823	4.409	40	30		DIEBRN
C=CCOc1cccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1	ZINC000408906651	257226168	/nfs/dbraw/zinc/22/61/68/257226168.db2.gz	JNTXKJBBTKVFRH-DHZHZOJOSA-N	0	0	324.376	4.165	40	30		DIEBRN
CN(C)c1ccc(-n2cccc2/C=N\OCc2ccccc2)cc1	ZINC000408859760	257226176	/nfs/dbraw/zinc/22/61/76/257226176.db2.gz	YUDBUEXMVKPJOE-QNGOZBTKSA-N	0	0	319.408	4.094	40	30		DIEBRN
C#CCOc1ccc2ccccc2c1C=NNc1ccccc1	ZINC000408820763	257226969	/nfs/dbraw/zinc/22/69/69/257226969.db2.gz	ZVDWDIVRLJWZBL-RCCKNPSSSA-N	0	0	300.361	4.298	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408739593	257227042	/nfs/dbraw/zinc/22/70/42/257227042.db2.gz	CUTXQUJZRPIITN-ZVCOJXFSSA-N	0	0	311.772	4.081	40	30		DIEBRN
Cc1ccccc1NN=C1C=C(c2ccc(C(C)C)cc2)OC1=O	ZINC000408726972	257227112	/nfs/dbraw/zinc/22/71/12/257227112.db2.gz	XGFYNWAKNXBPOX-PYCFMQQDSA-N	0	0	320.392	4.484	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c(C)c1	ZINC000408739922	257227163	/nfs/dbraw/zinc/22/71/63/257227163.db2.gz	GOLWEEYPAUCZQM-TYJAPOHBSA-N	0	0	305.381	4.045	40	30		DIEBRN
CCCCCCCCNC(=O)Nc1ccc2nccnc2c1	ZINC000408735347	257227277	/nfs/dbraw/zinc/22/72/77/257227277.db2.gz	NZWOTEBTBJWXDT-UHFFFAOYSA-N	0	0	300.406	4.112	40	30		DIEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1	ZINC000408708155	257228062	/nfs/dbraw/zinc/22/80/62/257228062.db2.gz	VIKTVSRDDXLFLG-UHFFFAOYSA-N	0	0	318.461	4.190	40	30		DIEBRN
C=CCc1cc(C(=O)NC2CCCCCCC2)ccc1OC	ZINC000408706103	257228720	/nfs/dbraw/zinc/22/87/20/257228720.db2.gz	VIQFPLZESHBEJC-UHFFFAOYSA-N	0	0	301.430	4.266	40	30		DIEBRN
C=CCOc1ccc(NC(=O)CCCOc2ccccc2)cc1	ZINC000408703099	257228775	/nfs/dbraw/zinc/22/87/75/257228775.db2.gz	MYURLVMXQRBLOM-UHFFFAOYSA-N	0	0	311.381	4.049	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1ccc(C(F)(F)F)cc1	ZINC000408594044	257229002	/nfs/dbraw/zinc/22/90/02/257229002.db2.gz	DPWKZPQPAXCNPV-UFFVCSGVSA-N	0	0	304.271	4.128	40	30		DIEBRN
COc1cc(Cl)c(/C=N/c2oc(C)c(C)c2C#N)cc1OC	ZINC000408587801	257229017	/nfs/dbraw/zinc/22/90/17/257229017.db2.gz	HJHDJLSUQQFKII-UFWORHAWSA-N	0	0	318.760	4.189	40	30		DIEBRN
CCn1cc(/C=N/OCc2ccccc2C#N)c2ccccc21	ZINC000408593280	257229039	/nfs/dbraw/zinc/22/90/39/257229039.db2.gz	PEJIOCUCLDUAKS-CIAFOILYSA-N	0	0	303.365	4.084	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1ccc(-c2ccccc2)o1	ZINC000408595739	257229043	/nfs/dbraw/zinc/22/90/43/257229043.db2.gz	MYUNCWLBEAOUMH-FYJGNVAPSA-N	0	0	302.333	4.369	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1OCC	ZINC000408556220	257229595	/nfs/dbraw/zinc/22/95/95/257229595.db2.gz	JBUNLOFGWZKJSP-UHFFFAOYSA-N	0	0	315.344	4.042	40	30		DIEBRN
C=CCOc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1	ZINC000408563123	257229926	/nfs/dbraw/zinc/22/99/26/257229926.db2.gz	JBRNUJRCVJLNML-CQSZACIVSA-N	0	0	313.422	4.371	40	30		DIEBRN
CCOc1cc(/C=N\O)ccc1OCc1cccc(Cl)c1	ZINC000100250357	257230930	/nfs/dbraw/zinc/23/09/30/257230930.db2.gz	PZHWCDPESYDQGA-ZDLGFXPLSA-N	0	0	305.761	4.126	40	30		DIEBRN
O=[N+]([O-])c1ccccc1N=NCc1c(Cl)[nH]c2ccccc21	ZINC000104191128	257232611	/nfs/dbraw/zinc/23/26/11/257232611.db2.gz	JPDFUQLGNIUXNO-MFOYZWKCSA-N	0	0	314.732	4.176	40	30		DIEBRN
COc1ccccc1CN/N=C/c1ccc(Cl)cc1Cl	ZINC000020761907	333385365	/nfs/dbraw/zinc/38/53/65/333385365.db2.gz	PZHAZPAUFDJSJD-GIJQJNRQSA-N	0	0	309.196	4.126	40	30		DIEBRN
C=CCn1c(COc2cc(C)ccc2C(C)(C)C)n[nH]c1=S	ZINC000026468948	519183655	/nfs/dbraw/zinc/18/36/55/519183655.db2.gz	UIZGZKYDCHCBCY-UHFFFAOYSA-N	0	0	317.458	4.312	40	30		DIEBRN
C=CCn1c(COc2ccccc2C)nnc1SCC(=C)C	ZINC000027579050	519188600	/nfs/dbraw/zinc/18/86/00/519188600.db2.gz	QLCOFOXWALJYNW-UHFFFAOYSA-N	0	0	315.442	4.020	40	30		DIEBRN
CC(C=NN1C(=S)N=NC1C1CCCCC1)=Cc1ccco1	ZINC000032109683	519350197	/nfs/dbraw/zinc/35/01/97/519350197.db2.gz	LIJOPJXUBNHEIH-FNZYXYELSA-N	0	0	316.430	4.145	40	30		DIEBRN
CCOC(=O)C(CC(=O)c1ccc(C)cc1)=Nc1ccccc1C	ZINC000006205906	520394891	/nfs/dbraw/zinc/39/48/91/520394891.db2.gz	GNVUGFOZGGZHMO-QGOAFFKASA-N	0	0	323.392	4.045	40	30		DIEBRN
COC(=O)c1ccccc1/N=C\C[C@@H](C)CCCC(C)(C)O	ZINC000017353434	522255376	/nfs/dbraw/zinc/25/53/76/522255376.db2.gz	BFBPISPWJZMWJN-QIQQCEGHSA-N	0	0	305.418	4.143	40	30		DIEBRN
CN(C)/C(=N/C(=O)Nc1ccccc1)SCc1ccccc1	ZINC000017188884	523967600	/nfs/dbraw/zinc/96/76/00/523967600.db2.gz	UMKMXJSLXGRACM-ZPHPHTNESA-N	0	0	313.426	4.070	40	30		DIEBRN
Cc1cc(/N=C/c2ccc(N(C)C)cc2)n(-c2ccc(C)cc2)n1	ZINC000016311382	526098771	/nfs/dbraw/zinc/09/87/71/526098771.db2.gz	IBDHJMJGALFYBL-KGENOOAVSA-N	0	0	318.424	4.306	40	30		DIEBRN
CCCCCCC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	ZINC000001572421	563285556	/nfs/dbraw/zinc/28/55/56/563285556.db2.gz	QOGIVDJCFJTMMQ-ZHACJKMWSA-N	0	0	306.402	4.265	40	30		DIEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(C(F)(F)F)cc2)cc1	ZINC000034704068	563225028	/nfs/dbraw/zinc/22/50/28/563225028.db2.gz	GJCKEJAEFBPSDI-NVMNQCDNSA-N	0	0	309.247	4.060	40	30		DIEBRN
O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C/c1ccc(O)cc1	ZINC000000289133	563236623	/nfs/dbraw/zinc/23/66/23/563236623.db2.gz	MGXGEFQCJBBKND-RFTYBOQRSA-N	0	0	306.361	4.318	40	30		DIEBRN
Cc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000001305690	563280739	/nfs/dbraw/zinc/28/07/39/563280739.db2.gz	IRDCPVRMRJMJII-BOPFTXTBSA-N	0	0	300.431	4.179	40	30		DIEBRN
Cc1cc(O)c(C(C)C)cc1NC1=CC(=O)c2ccccc2C1=O	ZINC000001671928	563290751	/nfs/dbraw/zinc/29/07/51/563290751.db2.gz	XTVKGBNNQXZUTG-UHFFFAOYSA-N	0	0	321.376	4.199	40	30		DIEBRN
Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1	ZINC000002913680	563317392	/nfs/dbraw/zinc/31/73/92/563317392.db2.gz	XVOCEKOSQBFFHW-UAGQMJEPSA-N	0	0	310.459	4.161	40	30		DIEBRN
C=CCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2	ZINC000003053392	563425137	/nfs/dbraw/zinc/42/51/37/563425137.db2.gz	IZTASLRRHYCALV-ZDUSSCGKSA-N	0	0	312.365	4.141	40	30		DIEBRN
CCOC(=O)c1cccc(NC(C)=CC(=O)c2ccc(C)cc2)c1	ZINC000032100394	563441119	/nfs/dbraw/zinc/44/11/19/563441119.db2.gz	PKJYXSMEKFUGRD-NTCAYCPXSA-N	0	0	323.392	4.370	40	30		DIEBRN
CCOC(=O)c1ccccc1NC(C)=CC(=O)c1ccccc1	ZINC000032100286	563441181	/nfs/dbraw/zinc/44/11/81/563441181.db2.gz	DOGNCDOFBIWYNA-BUHFOSPRSA-N	0	0	309.365	4.062	40	30		DIEBRN
CCOC(=O)c1ccccc1/N=C/c1ccc2ccccc2c1O	ZINC000032101608	563441776	/nfs/dbraw/zinc/44/17/76/563441776.db2.gz	MZGQMGTXDKZCTJ-FYJGNVAPSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCOC(=O)c1ccc(/N=C/c2ccc3ccccc3c2O)cc1	ZINC000032101600	563441980	/nfs/dbraw/zinc/44/19/80/563441980.db2.gz	OJTKTVORMNKZLP-FYJGNVAPSA-N	0	0	319.360	4.473	40	30		DIEBRN
CC(C)(C)c1ccc(/C=N\NC(=S)Nc2ccccc2)cc1	ZINC000038205548	563459955	/nfs/dbraw/zinc/45/99/55/563459955.db2.gz	ZYRGYIVZQNLKPG-UYRXBGFRSA-N	0	0	311.454	4.305	40	30		DIEBRN
Cc1c(Cl)cccc1NN=C1C(=O)Nc2ccc(F)cc21	ZINC000047952018	563466033	/nfs/dbraw/zinc/46/60/33/563466033.db2.gz	UYTGTWBRMBMWDK-UHFFFAOYSA-N	0	0	303.724	4.205	40	30		DIEBRN
C=CCOc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1	ZINC000222802565	563517327	/nfs/dbraw/zinc/51/73/27/563517327.db2.gz	UZJNLGSAKODPTQ-UHFFFAOYSA-N	0	0	317.388	4.335	40	30		DIEBRN
C=CCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1	ZINC000223121751	563530524	/nfs/dbraw/zinc/53/05/24/563530524.db2.gz	DMWDSPMEZYFBQV-UHFFFAOYSA-N	0	0	309.409	4.003	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(OCC)c(C)c2)cc1	ZINC000223412701	563542709	/nfs/dbraw/zinc/54/27/09/563542709.db2.gz	QXJRGHRIESEGSP-UHFFFAOYSA-N	0	0	311.381	4.211	40	30		DIEBRN
CCOC(=O)c1ccccc1/N=C\c1ccc2ccccc2c1O	ZINC000100248453	563548599	/nfs/dbraw/zinc/54/85/99/563548599.db2.gz	MZGQMGTXDKZCTJ-BKUYFWCQSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCOC(=O)c1ccccc1/N=C\c1c(O)ccc2ccccc21	ZINC000100248234	563548680	/nfs/dbraw/zinc/54/86/80/563548680.db2.gz	KDKYSIKLYAPHBH-BKUYFWCQSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O	ZINC000101460677	563557770	/nfs/dbraw/zinc/55/77/70/563557770.db2.gz	SLWJJVVGGBWJFQ-UHFFFAOYSA-N	0	0	319.854	4.148	40	30		DIEBRN
CN(C)c1ccc(/C=N\c2ccc(Cc3ccncc3)cc2)cc1	ZINC000104165724	563563004	/nfs/dbraw/zinc/56/30/04/563563004.db2.gz	GZGIZKWMSRXKIM-KQWNVCNZSA-N	0	0	315.420	4.489	40	30		DIEBRN
O=C(C=CNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000104821284	563565036	/nfs/dbraw/zinc/56/50/36/563565036.db2.gz	FFWLINVDBWGCBW-MDZDMXLPSA-N	0	0	302.717	4.057	40	30		DIEBRN
Cc1ccc(S(=O)(=O)OCC23CCC(C)(CC2)C3(C)C)cc1	ZINC000085385095	563568920	/nfs/dbraw/zinc/56/89/20/563568920.db2.gz	CDVVMKDVXYGNNG-UHFFFAOYSA-N	0	0	322.470	4.307	40	30		DIEBRN
C[C@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118912515	563593123	/nfs/dbraw/zinc/59/31/23/563593123.db2.gz	WMAZMNFANLKALZ-HLXURNFRSA-N	0	0	300.442	4.045	40	30		DIEBRN
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\O	ZINC000118927714	563593608	/nfs/dbraw/zinc/59/36/08/563593608.db2.gz	SGALQGQEDXLRTC-UOGZUCDBSA-N	0	0	305.462	4.220	40	30		DIEBRN
C=CCc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1OC	ZINC000224125781	563594078	/nfs/dbraw/zinc/59/40/78/563594078.db2.gz	FVSCZRWOXGZIIT-UHFFFAOYSA-N	0	0	303.446	4.368	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NC2(CC)CCCC2)cc1	ZINC000225868219	563604617	/nfs/dbraw/zinc/60/46/17/563604617.db2.gz	AIDUQSLPODEBAF-UHFFFAOYSA-N	0	0	304.459	4.261	40	30		DIEBRN
C=CCOc1ccc(C(=O)NCc2cc(CC)ccc2CC)cc1	ZINC000225876720	563604751	/nfs/dbraw/zinc/60/47/51/563604751.db2.gz	NJEUVPLHMFLMDC-UHFFFAOYSA-N	0	0	323.436	4.306	40	30		DIEBRN
COC(=O)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1	ZINC000000267176	563607646	/nfs/dbraw/zinc/60/76/46/563607646.db2.gz	YLGDPOWWWKMZEN-RGVLZGJSSA-N	0	0	324.405	4.036	40	30		DIEBRN
N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl	ZINC000000261735	563607716	/nfs/dbraw/zinc/60/77/16/563607716.db2.gz	PMYFXTMTUQPYFQ-INIZCTEOSA-N	0	0	308.768	4.360	40	30		DIEBRN
Oc1ccc(/C=N/N=C2c3ccccc3Cc3ccccc32)cc1	ZINC000000500332	563609533	/nfs/dbraw/zinc/60/95/33/563609533.db2.gz	GDOBCONATYDXMI-HYARGMPZSA-N	0	0	312.372	4.168	40	30		DIEBRN
Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1ccccc1	ZINC000225878795	563617943	/nfs/dbraw/zinc/61/79/43/563617943.db2.gz	SEOKJQASUWDFCA-UHFFFAOYSA-N	0	0	303.365	4.091	40	30		DIEBRN
CC1=CC(C)(C)N2C(=O)/C(=N\c3ccc(O)cc3)c3cccc1c32	ZINC000101348783	563633998	/nfs/dbraw/zinc/63/39/98/563633998.db2.gz	UTGYZGNKOLFHAP-FXBPSFAMSA-N	0	0	318.376	4.055	40	30		DIEBRN
C=CCOc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000007718122	563640975	/nfs/dbraw/zinc/64/09/75/563640975.db2.gz	DYMFNXLWPZWZFD-IZZDOVSWSA-N	0	0	309.321	4.056	40	30		DIEBRN
N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccccc1F	ZINC000225887998	563649035	/nfs/dbraw/zinc/64/90/35/563649035.db2.gz	YECUIBGNXKDPKU-UHFFFAOYSA-N	0	0	323.396	4.281	40	30		DIEBRN
C#CCn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21	ZINC000010118867	563653150	/nfs/dbraw/zinc/65/31/50/563653150.db2.gz	AKKAODRCJBNECB-LPYMAVHISA-N	0	0	321.811	4.052	40	30		DIEBRN
Cc1cc(SCC#N)nc2c(C)cc(Br)cc12	ZINC000095095267	563653579	/nfs/dbraw/zinc/65/35/79/563653579.db2.gz	VITPTYBWHMHXFE-UHFFFAOYSA-N	0	0	307.216	4.230	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1	ZINC000013639989	563662586	/nfs/dbraw/zinc/66/25/86/563662586.db2.gz	RZYHLZOUSUJHJD-LJQANCHMSA-N	0	0	317.392	4.223	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2CO	ZINC000118923914	563676499	/nfs/dbraw/zinc/67/64/99/563676499.db2.gz	LUCIDJBINAIGTD-FCRAODNPSA-N	0	0	302.458	4.127	40	30		DIEBRN
Cc1ccc2c(c1)C(=NNc1cccc(Cl)c1Cl)C(=O)N2	ZINC000223723781	563735963	/nfs/dbraw/zinc/73/59/63/563735963.db2.gz	PMGMBDRPIJGWBR-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
CC1(C)COc2ccc(C(=O)/C=C/c3ccccc3)cc2OC1	ZINC000225372278	563753194	/nfs/dbraw/zinc/75/31/94/563753194.db2.gz	KYCOYIKFXOKIMQ-CSKARUKUSA-N	0	0	308.377	4.380	40	30		DIEBRN
Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(CC#N)cc2)c1	ZINC000225536048	563758247	/nfs/dbraw/zinc/75/82/47/563758247.db2.gz	QXDAVYCIXNDDPV-HNNXBMFYSA-N	0	0	323.465	4.417	40	30		DIEBRN
CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1C	ZINC000225757077	563762385	/nfs/dbraw/zinc/76/23/85/563762385.db2.gz	OXIFKVPDSKQBDA-SFHVURJKSA-N	0	0	323.465	4.499	40	30		DIEBRN
Cc1ccccc1/N=C1/NC(=O)/C(=C/C=C/c2ccccc2)S1	ZINC000059459395	563771044	/nfs/dbraw/zinc/77/10/44/563771044.db2.gz	UKXBKZOBRQDWTL-DNZSEPECSA-N	0	0	320.417	4.443	40	30		DIEBRN
CCOC(=O)c1ccc(N=Cc2ccc3ccccc3c2O)cc1	ZINC000260840629	563781616	/nfs/dbraw/zinc/78/16/16/563781616.db2.gz	OJTKTVORMNKZLP-UHFFFAOYSA-N	0	0	319.360	4.473	40	30		DIEBRN
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C	ZINC000257345469	563793040	/nfs/dbraw/zinc/79/30/40/563793040.db2.gz	NVUUMOOKVFONOM-GXUNQHPWSA-N	0	0	300.442	4.333	40	30		DIEBRN
C=C1C[C@]2(CC)[C@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12	ZINC000082048502	563793418	/nfs/dbraw/zinc/79/34/18/563793418.db2.gz	YDNGALYODUITSZ-KYRVCDIISA-N	0	0	300.442	4.045	40	30		DIEBRN
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C	ZINC000263608275	563794521	/nfs/dbraw/zinc/79/45/21/563794521.db2.gz	TTWYUPSVWLOIRF-XHHHBCLVSA-N	0	0	316.441	4.060	40	30		DIEBRN
CC(=O)C1=C2CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]2CC1	ZINC000263612654	563794679	/nfs/dbraw/zinc/79/46/79/563794679.db2.gz	YJTCYQZTDMGVPF-SUKDQFRTSA-N	0	0	302.458	4.269	40	30		DIEBRN
COc1ccc(C2=CC(=O)C[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000000446850	563820300	/nfs/dbraw/zinc/82/03/00/563820300.db2.gz	AGEKBMLRLTVUGG-KRWDZBQOSA-N	0	0	308.377	4.234	40	30		DIEBRN
CCCCOc1ccc(/C=N/c2c(C)n[nH]c2C)cc1OCC	ZINC000101549685	563821821	/nfs/dbraw/zinc/82/18/21/563821821.db2.gz	FPVZZBUXRRIYRF-XDHOZWIPSA-N	0	0	315.417	4.355	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C	ZINC000104395618	563831900	/nfs/dbraw/zinc/83/19/00/563831900.db2.gz	BFJGDRRSEQORFA-UQVNRYHBSA-N	0	0	312.453	4.468	40	30		DIEBRN
COc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1OC	ZINC000211782688	563832630	/nfs/dbraw/zinc/83/26/30/563832630.db2.gz	VGUFJKHXFOTHPS-FPLPWBNLSA-N	0	0	320.747	4.392	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)Nc2ccc(OCC)cc2)c1	ZINC000008570592	563835128	/nfs/dbraw/zinc/83/51/28/563835128.db2.gz	HAUCRTVFWWHUGK-UHFFFAOYSA-N	0	0	311.381	4.293	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)Nc2cc(C)ccc2OC)c1	ZINC000008570588	563835168	/nfs/dbraw/zinc/83/51/68/563835168.db2.gz	GTIPTWZTSACXOB-UHFFFAOYSA-N	0	0	311.381	4.211	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)C[C@]3(C)CC[C@H]21	ZINC000008622666	563835374	/nfs/dbraw/zinc/83/53/74/563835374.db2.gz	DGQZPNNDBCCCRJ-YSCIFQABSA-N	0	0	312.453	4.468	40	30		DIEBRN
C#CCOC(=O)c1ccc(OCc2cccc3ccccc32)cc1	ZINC000216852507	563856445	/nfs/dbraw/zinc/85/64/45/563856445.db2.gz	PACGQVFHSQDYQS-UHFFFAOYSA-N	0	0	316.356	4.209	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]21	ZINC000033741218	563857667	/nfs/dbraw/zinc/85/76/67/563857667.db2.gz	DIAJCMVFGKWTEP-NXNFSMPISA-N	0	0	312.453	4.468	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21	ZINC000033741221	563857727	/nfs/dbraw/zinc/85/77/27/563857727.db2.gz	DIAJCMVFGKWTEP-SXYSDOLCSA-N	0	0	312.453	4.468	40	30		DIEBRN
CN1[C@@H]2CC[C@H]1/C(=C\c1ccccc1)C(=O)/C2=C\c1ccccc1	ZINC000013124209	563920963	/nfs/dbraw/zinc/92/09/63/563920963.db2.gz	UYTWVEVNIDBOOP-CCIYMZGUSA-N	0	0	315.416	4.199	40	30		DIEBRN
C=CCSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1	ZINC000006621893	563921630	/nfs/dbraw/zinc/92/16/30/563921630.db2.gz	AGLQEZBRMJGYAV-UHFFFAOYSA-N	0	0	323.421	4.221	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1OCC	ZINC000006960556	563921768	/nfs/dbraw/zinc/92/17/68/563921768.db2.gz	ACNNNAGDDASAQT-KGENOOAVSA-N	0	0	307.393	4.465	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1OCC	ZINC000008084870	563922097	/nfs/dbraw/zinc/92/20/97/563922097.db2.gz	IYZPDJYPKQRHPC-RCCKNPSSSA-N	0	0	307.393	4.410	40	30		DIEBRN
COc1ccc(Cl)cc1/C=N/NCc1ccccc1Cl	ZINC000008811760	563922411	/nfs/dbraw/zinc/92/24/11/563922411.db2.gz	WWFOIXCSBVPCRP-VXLYETTFSA-N	0	0	309.196	4.126	40	30		DIEBRN
COc1ccc(OC)c(C(=O)/C=C/c2ccc(SC)cc2)c1	ZINC000006341396	563924456	/nfs/dbraw/zinc/92/44/56/563924456.db2.gz	FCMPLTLPQAXPQQ-UXBLZVDNSA-N	0	0	314.406	4.322	40	30		DIEBRN
CC(C)Oc1ccc(C(=O)C=CNc2ccc(N(C)C)cc2)cc1	ZINC000006564028	563924485	/nfs/dbraw/zinc/92/44/85/563924485.db2.gz	DYHIUNJBCOSVKK-BUHFOSPRSA-N	0	0	324.424	4.348	40	30		DIEBRN
c1ccc(COc2ccc(CN=Nc3ccccn3)cc2)cc1	ZINC000034887737	563924533	/nfs/dbraw/zinc/92/45/33/563924533.db2.gz	UNSSXQNZRFSHMJ-STZFKDTASA-N	0	0	303.365	4.107	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1cccc2cnncc21	ZINC000105670678	563924682	/nfs/dbraw/zinc/92/46/82/563924682.db2.gz	SYXBSJBWUSLTQV-UHFFFAOYSA-N	0	0	316.474	4.277	40	30		DIEBRN
CN1c2ccccc2S/C1=C\C1=CC(=O)c2ccccc2C1=O	ZINC000255190075	563927787	/nfs/dbraw/zinc/92/77/87/563927787.db2.gz	UVRHSJXVACFBSR-WQRHYEAKSA-N	0	0	319.385	4.076	40	30		DIEBRN
Cc1ccccc1COc1ccc(C#N)cc1Br	ZINC000011959652	563928380	/nfs/dbraw/zinc/92/83/80/563928380.db2.gz	ITRYSJAWHZILMO-UHFFFAOYSA-N	0	0	302.171	4.208	40	30		DIEBRN
CC(C)N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000012401574	563928647	/nfs/dbraw/zinc/92/86/47/563928647.db2.gz	VPTROTDUOBVEPE-IWXNDQKYSA-N	0	0	317.432	4.447	40	30		DIEBRN
C[C@H]1C[C@H](C)CN(c2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)C1	ZINC000096345995	563936272	/nfs/dbraw/zinc/93/62/72/563936272.db2.gz	YRHBRFUBSOOMTK-XJNFMUPTSA-N	0	0	321.424	4.300	40	30		DIEBRN
C#C[C@@](O)(c1c2ccccc2cc2ccccc21)C(F)(F)F	ZINC000002525211	563938477	/nfs/dbraw/zinc/93/84/77/563938477.db2.gz	CNRAVYWIDSZYOR-QGZVFWFLSA-N	0	0	300.279	4.376	40	30		DIEBRN
N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1C1CCCCC1	ZINC000225840122	563938987	/nfs/dbraw/zinc/93/89/87/563938987.db2.gz	YARFGGNNFGBPNM-UHFFFAOYSA-N	0	0	314.820	4.086	40	30		DIEBRN
Cc1ccc(Cc2ccc(C#N)n2Cc2ccc(F)cc2)cc1	ZINC000226029926	563939390	/nfs/dbraw/zinc/93/93/90/563939390.db2.gz	VCNWHRXWSXQCRT-UHFFFAOYSA-N	0	0	304.368	4.446	40	30		DIEBRN
N#Cc1ccc2ccn(Cc3cccc(Br)c3)c2c1	ZINC000216945310	563941832	/nfs/dbraw/zinc/94/18/32/563941832.db2.gz	NHWLZOMBYROPIK-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
CCC(C)N=Nc1nc2c(cccc2N2CCC(C)CC2)s1	ZINC000057328234	563959905	/nfs/dbraw/zinc/95/99/05/563959905.db2.gz	ZSQLNQGQZDHGOB-CPNJWEJPSA-N	0	0	316.474	4.730	40	30		DIEBRN
Fc1ccc(NC(=S)N/N=C\c2cccc3ccccc23)cc1	ZINC000033685263	568412907	/nfs/dbraw/zinc/41/29/07/568412907.db2.gz	LNGDVEDQEFNWGX-NDENLUEZSA-N	0	0	323.396	4.299	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(C)c1	ZINC000105677318	1041278036	/nfs/dbraw/zinc/27/80/36/1041278036.db2.gz	MKMLCFFTAZIOQD-UHFFFAOYSA-N	0	0	318.461	4.109	40	30		DIEBRN
Ic1ccccc1/C=N/c1ccccc1	ZINC000196367781	1041819903	/nfs/dbraw/zinc/81/99/03/1041819903.db2.gz	CMOSLFNSOJSDIX-XNTDXEJSSA-N	0	0	307.134	4.042	40	30		DIEBRN
C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C/C1=N\O	ZINC000118916182	1041937603	/nfs/dbraw/zinc/93/76/03/1041937603.db2.gz	KHGGBQIXVJTINV-XPOXASJISA-N	0	0	319.489	4.466	40	30		DIEBRN
N#Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1	ZINC000015127938	1042495411	/nfs/dbraw/zinc/49/54/11/1042495411.db2.gz	UOLIXGZWHSMKLA-UHFFFAOYSA-N	0	0	318.401	4.442	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NC(C(C)C)C(C)C)c1	ZINC000225328276	1044421067	/nfs/dbraw/zinc/42/10/67/1044421067.db2.gz	RKCNBTJSOZBEJT-UHFFFAOYSA-N	0	0	306.475	4.218	40	30		DIEBRN
Nc1ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1	ZINC000003037113	1055987738	/nfs/dbraw/zinc/98/77/38/1055987738.db2.gz	ODNSTTKMCKKBOI-UHFFFAOYSA-N	0	0	311.147	4.194	40	30		DIEBRN
C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(CC#N)cc1	ZINC000225513320	201724233	/nfs/dbraw/zinc/72/42/33/201724233.db2.gz	WOHSSGGUDMOGHU-HNNXBMFYSA-N	0	0	323.465	4.060	40	30		DIEBRN
N#Cc1cc(N)c(Cc2ccccc2)n1Cc1ccccc1Cl	ZINC000225854174	201755541	/nfs/dbraw/zinc/75/55/41/201755541.db2.gz	MMGVRXNBWPVSDU-UHFFFAOYSA-N	0	0	321.811	4.234	40	30		DIEBRN
Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1ccccc1C	ZINC000225879412	201759026	/nfs/dbraw/zinc/75/90/26/201759026.db2.gz	ICYPEHAXAOBFBU-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
CCCC(=O)Nc1ccc2nc(N=NC(C)CC)sc2c1	ZINC000072229638	191077149	/nfs/dbraw/zinc/07/71/49/191077149.db2.gz	MDJYCUZYSFJYHP-ZDLGFXPLSA-N	0	0	304.419	4.233	40	30		DIEBRN
CC(C)(C)c1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000003323016	181005488	/nfs/dbraw/zinc/00/54/88/181005488.db2.gz	AFCXSTOXZNJTGG-XDHOZWIPSA-N	0	0	312.369	4.443	40	30		DIEBRN
O=C(/C=C/c1c[nH]c2ccccc12)/C=C/c1ccc2c(c1)OCO2	ZINC000004293426	181093906	/nfs/dbraw/zinc/09/39/06/181093906.db2.gz	DPQZWZDFCKLCSG-OCIXRKKMSA-N	0	0	317.344	4.192	40	30		DIEBRN
O=C(/C=C/c1ccco1)c1ccc(NC(=O)c2cccs2)cc1	ZINC000004852242	181163093	/nfs/dbraw/zinc/16/30/93/181163093.db2.gz	CXQWHHBXWSSEMB-MDZDMXLPSA-N	0	0	323.373	4.490	40	30		DIEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCc1ccccc1Cl)C2	ZINC000004869930	181166338	/nfs/dbraw/zinc/16/63/38/181166338.db2.gz	DYFAXBUFQVONOC-KSSFIOAISA-N	0	0	303.833	4.339	40	30		DIEBRN
C(=N/N=C\c1cccc(OCc2ccccc2)c1)\c1ccco1	ZINC000005030361	181193284	/nfs/dbraw/zinc/19/32/84/181193284.db2.gz	YIPQYFLXLFBPBC-IWXNDQKYSA-N	0	0	304.349	4.312	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000005179503	181213501	/nfs/dbraw/zinc/21/35/01/181213501.db2.gz	ANTWOQSCTZFYJO-OIGVQNGMSA-N	0	0	306.490	4.473	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)[C@@H](O)C[C@H]2C(C)(C)CCC[C@@]12C	ZINC000005179505	181213621	/nfs/dbraw/zinc/21/36/21/181213621.db2.gz	ANTWOQSCTZFYJO-CAVMOMJPSA-N	0	0	306.490	4.473	40	30		DIEBRN
Clc1ccc(C=NNc2nc3ccccc3[nH]2)cc1Cl	ZINC000005396572	181238797	/nfs/dbraw/zinc/23/87/97/181238797.db2.gz	PCYAEKLNTYNDOJ-CAOOACKPSA-N	0	0	305.168	4.316	40	30		DIEBRN
COc1ccc(OC)c(/N=C\c2c(O)ccc3ccccc32)c1	ZINC000005287725	181226627	/nfs/dbraw/zinc/22/66/27/181226627.db2.gz	SSRBCJKWTKJNPT-NDENLUEZSA-N	0	0	307.349	4.313	40	30		DIEBRN
Nc1cc(/N=C/c2ccco2)cc(-c2nc3ccccc3o2)c1	ZINC000005338681	181231855	/nfs/dbraw/zinc/23/18/55/181231855.db2.gz	IASXYBWJZFQYGV-RGVLZGJSSA-N	0	0	303.321	4.421	40	30		DIEBRN
CC(C)CNC(=S)NN=CC=Cc1ccc(C(C)C)cc1	ZINC000005452692	181244753	/nfs/dbraw/zinc/24/47/53/181244753.db2.gz	OKAWYZIGZBDSGT-XMUQSSQMSA-N	0	0	303.475	4.340	40	30		DIEBRN
CCc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1	ZINC000005551568	181256082	/nfs/dbraw/zinc/25/60/82/181256082.db2.gz	IGCHJEJEFIMESW-ATVHPVEESA-N	0	0	322.433	4.449	40	30		DIEBRN
N#CCC[C@H]1[C@H](C#N)[C@@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl	ZINC000005600786	181262464	/nfs/dbraw/zinc/26/24/64/181262464.db2.gz	OLOUVKVPMPHARG-JDYBYMESSA-N	0	0	310.011	4.108	40	30		DIEBRN
CCCCC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC	ZINC000005707120	181274736	/nfs/dbraw/zinc/27/47/36/181274736.db2.gz	XLEDIUKLRZIKQG-MHILFYBOSA-N	0	0	306.322	4.037	40	30		DIEBRN
Nc1ccc(C(=O)/C=C/c2cc3ccccc3nc2Cl)cc1	ZINC000005800570	181285377	/nfs/dbraw/zinc/28/53/77/181285377.db2.gz	PTDBYZMVTFHSNH-JXMROGBWSA-N	0	0	308.768	4.367	40	30		DIEBRN
CC(/C=C\C(=O)c1ccccc1)=C/C=N/N(C)c1ccccc1	ZINC000005830621	181287598	/nfs/dbraw/zinc/28/75/98/181287598.db2.gz	FEUBCKZDHSELCC-BQCLOQKUSA-N	0	0	304.393	4.494	40	30		DIEBRN
N#Cc1c(N)c(C#N)c2c(c1-c1ccccc1)COc1ccccc1-2	ZINC000006276971	181325873	/nfs/dbraw/zinc/32/58/73/181325873.db2.gz	MQPDWFAYDQFBLU-UHFFFAOYSA-N	0	0	323.355	4.239	40	30		DIEBRN
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N	ZINC000006304876	181327863	/nfs/dbraw/zinc/32/78/63/181327863.db2.gz	YNOCGKXBKLBRQQ-UHFFFAOYSA-N	0	0	314.772	4.008	40	30		DIEBRN
N#Cc1ccc(-c2ccccc2)nc1SC(=O)c1ccco1	ZINC000006393158	181337359	/nfs/dbraw/zinc/33/73/59/181337359.db2.gz	HDWLRNKIPQDNSW-UHFFFAOYSA-N	0	0	306.346	4.146	40	30		DIEBRN
CO/N=C/c1cc(NC(=S)c2ccoc2C)ccc1Cl	ZINC000006483663	181344225	/nfs/dbraw/zinc/34/42/25/181344225.db2.gz	QCULSUVHFJNPFU-LZYBPNLTSA-N	0	0	308.790	4.009	40	30		DIEBRN
CSC(=S)NN=Cc1nccc(-c2ccccc2)c1C	ZINC000006483659	181344249	/nfs/dbraw/zinc/34/42/49/181344249.db2.gz	ZLPHYKLTFSQOMO-LICLKQGHSA-N	0	0	301.440	4.040	40	30		DIEBRN
O=C1c2cccc3cccc(c23)/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000006829287	181396489	/nfs/dbraw/zinc/39/64/89/181396489.db2.gz	NUYWEZWTHHKJOO-LFIBNONCSA-N	0	0	301.301	4.485	40	30		DIEBRN
CCOc1cc(C#N)ccc1OC(=O)c1cccc2ccccc21	ZINC000216776637	201498612	/nfs/dbraw/zinc/49/86/12/201498612.db2.gz	UJTRFWMWZNETLU-UHFFFAOYSA-N	0	0	317.344	4.329	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(Cl)c1	ZINC000216813185	201499768	/nfs/dbraw/zinc/49/97/68/201499768.db2.gz	WLNULFWKBNKBTD-UHFFFAOYSA-N	0	0	320.747	4.401	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(C)cc2)c1	ZINC000219789665	201564250	/nfs/dbraw/zinc/56/42/50/201564250.db2.gz	BFDWTOBXOQJWDD-MRXNPFEDSA-N	0	0	309.409	4.441	40	30		DIEBRN
Cc1cccc2c1NC(=O)C2=NNc1cc(Cl)cc(Cl)c1	ZINC000223730885	201654810	/nfs/dbraw/zinc/65/48/10/201654810.db2.gz	XVEWTMPSPBTAKF-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
N#CCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1	ZINC000225296933	201693144	/nfs/dbraw/zinc/69/31/44/201693144.db2.gz	KDECZFQTLBCYAR-UHFFFAOYSA-N	0	0	316.191	4.457	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1	ZINC000008041716	181521595	/nfs/dbraw/zinc/52/15/95/181521595.db2.gz	XSOIMGNQRSPHMQ-UHFFFAOYSA-N	0	0	311.381	4.291	40	30		DIEBRN
Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccccc3)S2)c1C	ZINC000012032512	181725253	/nfs/dbraw/zinc/72/52/53/181725253.db2.gz	OZWKGJUPZFCGLG-WJDWOHSUSA-N	0	0	308.406	4.195	40	30		DIEBRN
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C)o3)S2)cc1	ZINC000016161406	182035583	/nfs/dbraw/zinc/03/55/83/182035583.db2.gz	YHJJCBWRLSSIKB-GDNBJRDFSA-N	0	0	312.394	4.042	40	30		DIEBRN
N#CCCN(C(=O)Nc1ccccc1Cl)C1CCCCC1	ZINC000016450346	182045147	/nfs/dbraw/zinc/04/51/47/182045147.db2.gz	FVDFFSUFGIBLQT-UHFFFAOYSA-N	0	0	305.809	4.420	40	30		DIEBRN
CCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016891007	182062221	/nfs/dbraw/zinc/06/22/21/182062221.db2.gz	CKSQXBGUQMIXAQ-PTNGSMBKSA-N	0	0	308.338	4.261	40	30		DIEBRN
COc1ccccc1C(=O)O/N=C1/C[C@H]2CC[C@]1(C)C2(C)C	ZINC000016739516	182059434	/nfs/dbraw/zinc/05/94/34/182059434.db2.gz	OHPRVFCTLAXVIQ-GYQOHJKCSA-N	0	0	301.386	4.054	40	30		DIEBRN
CCC(CC)(CC)CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000017161766	182077809	/nfs/dbraw/zinc/07/78/09/182077809.db2.gz	AQSLAENKMRDRNX-GDNBJRDFSA-N	0	0	308.338	4.117	40	30		DIEBRN
CC(C)N1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1	ZINC000017167463	182077970	/nfs/dbraw/zinc/07/79/70/182077970.db2.gz	FATMJMGYCJLCNR-CASCGJKVSA-N	0	0	323.421	4.094	40	30		DIEBRN
CCCCCCC(=O)/C=C\c1cc(OC)c(OC)cc1OC	ZINC000017123702	182076087	/nfs/dbraw/zinc/07/60/87/182076087.db2.gz	MAJLXUNYAAFIDI-KHPPLWFESA-N	0	0	306.402	4.265	40	30		DIEBRN
CCOC(C/N=C/c1ccc2oc3ccccc3c2c1)OCC	ZINC000017721727	182085015	/nfs/dbraw/zinc/08/50/15/182085015.db2.gz	GFAMNTBPCXNHRA-UDWIEESQSA-N	0	0	311.381	4.404	40	30		DIEBRN
CCOc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1	ZINC000019841838	182155739	/nfs/dbraw/zinc/15/57/39/182155739.db2.gz	NLYBITJKLRHTQA-UHFFFAOYSA-N	0	0	315.376	4.268	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F	ZINC000020672520	182241857	/nfs/dbraw/zinc/24/18/57/182241857.db2.gz	OZEVNJYUKTWYSS-GOSISDBHSA-N	0	0	321.355	4.053	40	30		DIEBRN
CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1	ZINC000020754397	182245970	/nfs/dbraw/zinc/24/59/70/182245970.db2.gz	HQYVEULYNMQLNP-VXLYETTFSA-N	0	0	323.274	4.450	40	30		DIEBRN
Cc1ccc(NC2=NC(=O)SC2=Cc2ccccc2O)cc1	ZINC000032597681	182649255	/nfs/dbraw/zinc/64/92/55/182649255.db2.gz	ZZFNXCQKUSABJO-GDNBJRDFSA-N	0	0	310.378	4.228	40	30		DIEBRN
CCCCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1	ZINC000044136997	183396403	/nfs/dbraw/zinc/39/64/03/183396403.db2.gz	RKFGAIDQESUWRP-UHFFFAOYSA-N	0	0	315.319	4.398	40	30		DIEBRN
CCOc1ccc(Cl)cc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000058822468	184129474	/nfs/dbraw/zinc/12/94/74/184129474.db2.gz	YXLSTPZQTGTKAC-LICLKQGHSA-N	0	0	319.748	4.093	40	30		DIEBRN
O/N=C(\CCC/C(=N/O)c1ccc(F)cc1)c1ccc(F)cc1	ZINC000100514293	256563958	/nfs/dbraw/zinc/56/39/58/256563958.db2.gz	LKCRVSJZLQAMSA-ARHRGINZSA-N	0	0	318.323	4.192	40	30		DIEBRN
CCCCCCCC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1	ZINC000100937290	256566863	/nfs/dbraw/zinc/56/68/63/256566863.db2.gz	LLGKAFAHGIBQAI-UHFFFAOYSA-N	0	0	320.385	4.080	40	30		DIEBRN
COC(=O)c1ccccc1/N=C/c1ccc(N2CCCC2)c(C)c1	ZINC000059104581	257217034	/nfs/dbraw/zinc/21/70/34/257217034.db2.gz	HKJAOSUEKDALAI-KGENOOAVSA-N	0	0	322.408	4.132	40	30		DIEBRN
O=C(/C(=C/c1ccccc1)C(=O)C(F)(F)F)c1cccs1	ZINC000409355694	257219981	/nfs/dbraw/zinc/21/99/81/257219981.db2.gz	DJVCIHKMBYEJKB-LUAWRHEFSA-N	0	0	310.296	4.146	40	30		DIEBRN
CC(C)c1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1	ZINC000409384397	257220247	/nfs/dbraw/zinc/22/02/47/257220247.db2.gz	AUPSXQWCOVBYRL-SSDVNMTOSA-N	0	0	319.408	4.001	40	30		DIEBRN
COc1ccccc1/N=C/c1cc(C)n(-c2ccccn2)c1C	ZINC000409234154	257220596	/nfs/dbraw/zinc/22/05/96/257220596.db2.gz	MNVJZRQGJYNOMS-FYJGNVAPSA-N	0	0	305.381	4.248	40	30		DIEBRN
COc1cc(N2CCCCC2)ccc1/C=N\c1ccccc1O	ZINC000409239898	257220990	/nfs/dbraw/zinc/22/09/90/257220990.db2.gz	NZMLRRGXRYICST-ZHZULCJRSA-N	0	0	310.397	4.142	40	30		DIEBRN
Cc1ccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)c(C)c1	ZINC000409137458	257221576	/nfs/dbraw/zinc/22/15/76/257221576.db2.gz	VHWDKIDPHDPYSC-BKUYFWCQSA-N	0	0	312.388	4.030	40	30		DIEBRN
Cc1ccc(C)c(/N=C\c2ccc(N3CCOCC3)c(F)c2)c1	ZINC000409124946	257222131	/nfs/dbraw/zinc/22/21/31/257222131.db2.gz	CMHQOIHUOAQZAZ-BKUYFWCQSA-N	0	0	312.388	4.030	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(C)c(C)c2)cc1OCC	ZINC000409118077	257222244	/nfs/dbraw/zinc/22/22/44/257222244.db2.gz	YUFYJNCVATZFAK-UHFFFAOYSA-N	0	0	309.409	4.326	40	30		DIEBRN
CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1C	ZINC000409117806	257222256	/nfs/dbraw/zinc/22/22/56/257222256.db2.gz	NFKCKGDKTLVJJM-UHFFFAOYSA-N	0	0	318.785	4.037	40	30		DIEBRN
C=CCc1cc(CO)cc(OCC)c1OCc1ccccc1F	ZINC000409116178	257222446	/nfs/dbraw/zinc/22/24/46/257222446.db2.gz	UIYLIQKZWYBLEX-UHFFFAOYSA-N	0	0	316.372	4.024	40	30		DIEBRN
C#CCOc1c(CC=C)cc(CNc2ccccc2)cc1OC	ZINC000409110341	257223121	/nfs/dbraw/zinc/22/31/21/257223121.db2.gz	UTVJKGGOXSZCPD-UHFFFAOYSA-N	0	0	307.393	4.048	40	30		DIEBRN
CN(C)c1ccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000409107453	257223123	/nfs/dbraw/zinc/22/31/23/257223123.db2.gz	PYMPSFSYIQCFBL-YVLHZVERSA-N	0	0	303.749	4.065	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2)C1=O	ZINC000409104542	257223138	/nfs/dbraw/zinc/22/31/38/257223138.db2.gz	FRCSRYNFESAPLM-FOWTUZBSSA-N	0	0	324.405	4.008	40	30		DIEBRN
COc1cc2c(cc1/C=N/c1cccc(Cl)c1Cl)OCO2	ZINC000409072714	257223458	/nfs/dbraw/zinc/22/34/58/257223458.db2.gz	KPQVNTJDDITJLW-CNHKJKLMSA-N	0	0	324.163	4.481	40	30		DIEBRN
COc1ccc(Cl)cc1NC=CC(=O)c1ccc(F)cc1	ZINC000409062584	257223505	/nfs/dbraw/zinc/22/35/05/257223505.db2.gz	XCBFNLJNVRRHRQ-CMDGGOBGSA-N	0	0	305.736	4.296	40	30		DIEBRN
CC(C)(C)C(=O)C=CNc1ccc(Br)cc1F	ZINC000409096087	257223529	/nfs/dbraw/zinc/22/35/29/257223529.db2.gz	CLZKSXNJJQSNFK-VOTSOKGWSA-N	0	0	300.171	4.129	40	30		DIEBRN
Cc1cc(/N=C/c2ccc(N3CCOCC3)cc2C)ccc1F	ZINC000409084630	257223660	/nfs/dbraw/zinc/22/36/60/257223660.db2.gz	XRQQGVDBNWQNGJ-FYJGNVAPSA-N	0	0	312.388	4.030	40	30		DIEBRN
O=c1[nH]c2ccc(N=Cc3cc4ccccc4nc3Cl)cc2[nH]1	ZINC000408973847	257224623	/nfs/dbraw/zinc/22/46/23/257224623.db2.gz	CDCYHVRTXVMZGE-DJKKODMXSA-N	0	0	322.755	4.221	40	30		DIEBRN
Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(N(C)C)cc1	ZINC000408962592	257225148	/nfs/dbraw/zinc/22/51/48/257225148.db2.gz	ZOAVIIVCEBTRTK-QNGOZBTKSA-N	0	0	307.441	4.412	40	30		DIEBRN
COc1ccc(C/N=C\c2cccn2-c2ccc(OC)cc2)cc1	ZINC000408955639	257225190	/nfs/dbraw/zinc/22/51/90/257225190.db2.gz	XYQDXVRFCUNUIN-QNGOZBTKSA-N	0	0	320.392	4.114	40	30		DIEBRN
COC(=O)c1ccccc1/N=C\c1ccc(N2CCCC2)cc1C	ZINC000408960286	257225437	/nfs/dbraw/zinc/22/54/37/257225437.db2.gz	KSAPMULXGAAPPG-STZFKDTASA-N	0	0	322.408	4.132	40	30		DIEBRN
COc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cn1	ZINC000408847304	257225888	/nfs/dbraw/zinc/22/58/88/257225888.db2.gz	SYLZOOBWQWADBU-UNOMPAQXSA-N	0	0	311.772	4.285	40	30		DIEBRN
Cc1ccccc1/N=C\c1cc(Br)c(N(C)C)o1	ZINC000408857248	257225964	/nfs/dbraw/zinc/22/59/64/257225964.db2.gz	NULQZJWCRQHCHC-SXGWCWSVSA-N	0	0	307.191	4.167	40	30		DIEBRN
Cc1c(C=NNc2ccc3ccccc3n2)c2ccccc2n1C	ZINC000408854851	257226199	/nfs/dbraw/zinc/22/61/99/257226199.db2.gz	ALKRHOBZHHUDAJ-BKUYFWCQSA-N	0	0	314.392	4.481	40	30		DIEBRN
COc1ccc(/N=C\c2cccn2-c2ccc(OC)cc2)cc1	ZINC000408850864	257226253	/nfs/dbraw/zinc/22/62/53/257226253.db2.gz	SMUVMUSSSCOLBU-ZHZULCJRSA-N	0	0	306.365	4.245	40	30		DIEBRN
Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408740418	257226749	/nfs/dbraw/zinc/22/67/49/257226749.db2.gz	KHELAUKWUJQQPO-LPYMAVHISA-N	0	0	318.424	4.306	40	30		DIEBRN
COc1ccc(/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cn1	ZINC000408775170	257226919	/nfs/dbraw/zinc/22/69/19/257226919.db2.gz	ZNFNPWOXYVIQTK-NHDPSOOVSA-N	0	0	323.371	4.387	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1	ZINC000408817406	257226960	/nfs/dbraw/zinc/22/69/60/257226960.db2.gz	XRBFOKKSRHAYKM-NDENLUEZSA-N	0	0	305.381	4.196	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408739592	257227453	/nfs/dbraw/zinc/22/74/53/257227453.db2.gz	CUTXQUJZRPIITN-YDDPGSGASA-N	0	0	311.772	4.081	40	30		DIEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C	ZINC000408707657	257227848	/nfs/dbraw/zinc/22/78/48/257227848.db2.gz	QBUTVWYJBWOYSS-UHFFFAOYSA-N	0	0	318.461	4.190	40	30		DIEBRN
CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C	ZINC000408707702	257227904	/nfs/dbraw/zinc/22/79/04/257227904.db2.gz	CIZOEUWPAOREIV-UHFFFAOYSA-N	0	0	318.461	4.225	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CSCc2ccccc2)c1	ZINC000408576659	257229716	/nfs/dbraw/zinc/22/97/16/257229716.db2.gz	YMQUZDVWJFZFPQ-UHFFFAOYSA-N	0	0	313.422	4.123	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1OCC	ZINC000408531995	257230180	/nfs/dbraw/zinc/23/01/80/257230180.db2.gz	NEAHYQJATHADBZ-UHFFFAOYSA-N	0	0	315.344	4.042	40	30		DIEBRN
N#C[C@@H](C(=O)COc1ccc2ccccc2c1)c1ccccc1	ZINC000216962170	257232706	/nfs/dbraw/zinc/23/27/06/257232706.db2.gz	UJWAMAHWLYRQNT-LJQANCHMSA-N	0	0	301.345	4.095	40	30		DIEBRN
CC(C)COc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000082252824	331691512	/nfs/dbraw/zinc/69/15/12/331691512.db2.gz	FQSQPDFNENUECR-WOJGMQOQSA-N	0	0	313.357	4.076	40	30		DIEBRN
C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000034645576	333421118	/nfs/dbraw/zinc/42/11/18/333421118.db2.gz	VFHDKUZLECTSQR-FJCZRMHDSA-N	0	0	318.501	4.307	40	30		DIEBRN
CCOC(=O)c1ccccc1N=Cc1c(O)ccc2ccccc21	ZINC000260840601	333624131	/nfs/dbraw/zinc/62/41/31/333624131.db2.gz	KDKYSIKLYAPHBH-UHFFFAOYSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCOC(=O)c1cccc(N=Cc2ccc3ccccc3c2O)c1	ZINC000260840667	333624143	/nfs/dbraw/zinc/62/41/43/333624143.db2.gz	WYZNRWOBYIRCCK-UHFFFAOYSA-N	0	0	319.360	4.473	40	30		DIEBRN
O/N=C/c1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000216828109	336386471	/nfs/dbraw/zinc/38/64/71/336386471.db2.gz	NQAGHKVXGJCIHJ-LZYBPNLTSA-N	0	0	317.142	4.065	40	30		DIEBRN
C[C@@H]1C[C@@H](C)CN(c2oc([C@@H]3C[C@@H]3c3ccccc3)nc2C#N)C1	ZINC000096345996	518180500	/nfs/dbraw/zinc/18/05/00/518180500.db2.gz	YRHBRFUBSOOMTK-MUIFIZLQSA-N	0	0	321.424	4.300	40	30		DIEBRN
C=CCn1c(SCc2ccccc2)nnc1-c1cccs1	ZINC000000529483	519243110	/nfs/dbraw/zinc/24/31/10/519243110.db2.gz	LKCHSHNNIDNJEB-UHFFFAOYSA-N	0	0	313.451	4.485	40	30		DIEBRN
CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@@]3(C)C2C(=O)C1=O	ZINC000085968144	519559164	/nfs/dbraw/zinc/55/91/64/519559164.db2.gz	FNNZMRSRVYUVQT-ICSRJNTNSA-N	0	0	314.425	4.305	40	30		DIEBRN
CCCN1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1	ZINC000033325903	519841952	/nfs/dbraw/zinc/84/19/52/519841952.db2.gz	PYSJHLKVOITXQC-OZNQKUEASA-N	0	0	317.432	4.448	40	30		DIEBRN
CC/C(=N/NC(=S)Nc1cccc(C)c1C)c1ccccc1	ZINC000033699872	520177223	/nfs/dbraw/zinc/17/72/23/520177223.db2.gz	ZMZIQAAUXWWIND-SILNSSARSA-N	0	0	311.454	4.404	40	30		DIEBRN
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CC#N)cc1	ZINC000022533169	522872446	/nfs/dbraw/zinc/87/24/46/522872446.db2.gz	YBMVAPBZERQDQV-IBGZPJMESA-N	0	0	322.408	4.166	40	30		DIEBRN
COc1cccc(/C=N/CCCC/N=C/c2cccc(OC)c2)c1	ZINC000006794017	525769311	/nfs/dbraw/zinc/76/93/11/525769311.db2.gz	SSPNKXIRNJTWIJ-YHARCJFQSA-N	0	0	324.424	4.022	40	30		DIEBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1	ZINC000032117123	527328345	/nfs/dbraw/zinc/32/83/45/527328345.db2.gz	JFXXJVZAGGTIJW-NVMNQCDNSA-N	0	0	309.247	4.060	40	30		DIEBRN
Cc1cc2nc(N=NC(C)C)sc2c(C)c1Br	ZINC000045888626	563888277	/nfs/dbraw/zinc/88/82/77/563888277.db2.gz	AQWOFJBREBHBFO-UHFFFAOYSA-N	0	0	312.236	4.483	40	30		DIEBRN
CCOC(=O)c1ccc(/N=C\c2c(O)ccc3ccccc32)cc1	ZINC000000061311	563212226	/nfs/dbraw/zinc/21/22/26/563212226.db2.gz	CWWAKPGLKRKXRP-BKUYFWCQSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@@H](CC)C1=O	ZINC000001641170	563288857	/nfs/dbraw/zinc/28/88/57/563288857.db2.gz	KGUWKIWUSQALLK-GHTZIAJQSA-N	0	0	306.405	4.347	40	30		DIEBRN
Brc1ccc2[nH]cc(/C=N/N3CCCCCC3)c2c1	ZINC000001730483	563293931	/nfs/dbraw/zinc/29/39/31/563293931.db2.gz	CDCSNOYDGKIASW-WOJGMQOQSA-N	0	0	320.234	4.140	40	30		DIEBRN
Cc1cccc(C2=N/C(=C/c3c(O)ccc4ccccc43)C2=O)c1	ZINC000001735606	563294306	/nfs/dbraw/zinc/29/43/06/563294306.db2.gz	DDIQMIUFASHMBX-LDADJPATSA-N	0	0	313.356	4.267	40	30		DIEBRN
Cc1ccc(NC=CC(=O)c2ccc(OC(C)C)cc2)c(O)c1	ZINC000006546235	563332257	/nfs/dbraw/zinc/33/22/57/563332257.db2.gz	YNHXBOSKGUSJKM-ZHACJKMWSA-N	0	0	311.381	4.296	40	30		DIEBRN
CC(=CN=Nc1nncc(-c2ccccc2)n1)Cc1ccccc1	ZINC000006644731	563332936	/nfs/dbraw/zinc/33/29/36/563332936.db2.gz	KIHYRTLUOZVKNX-HIBZGYDWSA-N	0	0	315.380	4.040	40	30		DIEBRN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3)S2)c(C)c1	ZINC000012032513	563361205	/nfs/dbraw/zinc/36/12/05/563361205.db2.gz	OYHKERQRVYGFMT-WJDWOHSUSA-N	0	0	308.406	4.195	40	30		DIEBRN
O=C(C1=C(O)C(=CC=Cc2ccccc2)CCC1)C(F)(F)F	ZINC000100341501	563396246	/nfs/dbraw/zinc/39/62/46/563396246.db2.gz	SSPFXIJJKPIGTK-GOBXSAJGSA-N	0	0	308.299	4.127	40	30		DIEBRN
COc1cc(OC)c(OC)cc1/C=N/c1cccc(Cl)c1	ZINC000000239095	563413578	/nfs/dbraw/zinc/41/35/78/563413578.db2.gz	WTDKXBPZIPCBFQ-VCHYOVAHSA-N	0	0	305.761	4.116	40	30		DIEBRN
CCC(C)=CN=Nc1nnc(N=NC=C(C)CC)c2ccccc21	ZINC000031669984	563440733	/nfs/dbraw/zinc/44/07/33/563440733.db2.gz	VTZJNVBINZKWIB-WYKCAMTLSA-N	0	0	322.416	4.358	40	30		DIEBRN
Cc1nc2ccccc2c(=O)n1N=C1CCC(C(C)(C)C)CC1	ZINC000032124609	563442113	/nfs/dbraw/zinc/44/21/13/563442113.db2.gz	ISJWATHEUPVXIH-UHFFFAOYSA-N	0	0	311.429	4.145	40	30		DIEBRN
CC[C@H](C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000100037236	563545069	/nfs/dbraw/zinc/54/50/69/563545069.db2.gz	RIDIMSPDBDWFDY-BYPYZUCNSA-N	0	0	320.151	4.001	40	30		DIEBRN
COc1cccc(/C=N/c2ccc3c4c(cccc42)CC3)c1O	ZINC000100927100	563554275	/nfs/dbraw/zinc/55/42/75/563554275.db2.gz	YQKNTKDTZREQNN-CIAFOILYSA-N	0	0	303.361	4.403	40	30		DIEBRN
CCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1	ZINC000100992780	563555436	/nfs/dbraw/zinc/55/54/36/563555436.db2.gz	WMIUGUIBIDSFPU-UHFFFAOYSA-N	0	0	324.852	4.064	40	30		DIEBRN
Ic1ccc(/N=C\c2ccccc2)cc1	ZINC000104069943	563561879	/nfs/dbraw/zinc/56/18/79/563561879.db2.gz	GHKQBRZHIADDSD-GDNBJRDFSA-N	0	0	307.134	4.042	40	30		DIEBRN
CC1=CC(=O)C[C@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C	ZINC000118916759	563593565	/nfs/dbraw/zinc/59/35/65/563593565.db2.gz	ANJQEDFWRSLVBR-QDYHKBFXSA-N	0	0	302.458	4.125	40	30		DIEBRN
C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1	ZINC000224668682	563598120	/nfs/dbraw/zinc/59/81/20/563598120.db2.gz	CEAXWAWCFNMNOR-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1	ZINC000225940419	563604639	/nfs/dbraw/zinc/60/46/39/563604639.db2.gz	JAGVDRHINZWMFN-UHFFFAOYSA-N	0	0	307.393	4.230	40	30		DIEBRN
COc1ccc([C@H](CC#N)[C@@H](C#N)c2cccc(F)c2)cc1OC	ZINC000000133263	563605199	/nfs/dbraw/zinc/60/51/99/563605199.db2.gz	CKRWLHFLYBSRAA-IRXDYDNUSA-N	0	0	324.355	4.148	40	30		DIEBRN
Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(F)cc1	ZINC000225879602	563617846	/nfs/dbraw/zinc/61/78/46/563617846.db2.gz	HUSONNIMXQVLTQ-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
Cc1ccc(C(=O)/C=C/S/C(=N/C#N)SC(C)C)cc1	ZINC000100662112	563632087	/nfs/dbraw/zinc/63/20/87/563632087.db2.gz	OWFPWAQTUMWUGO-BFRXKNJOSA-N	0	0	304.440	4.403	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC	ZINC000014400352	563671456	/nfs/dbraw/zinc/67/14/56/563671456.db2.gz	HXEPPXJJIAVQIC-UHFFFAOYSA-N	0	0	301.773	4.329	40	30		DIEBRN
O=C1c2ccccc2O/C1=C\c1ccc(Br)cc1	ZINC000044603389	563675795	/nfs/dbraw/zinc/67/57/95/563675795.db2.gz	ODMBPNLTEDZJOK-ZROIWOOFSA-N	0	0	301.139	4.065	40	30		DIEBRN
C=CCc1cc2c(c(OC)c1)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C	ZINC000049181124	563700920	/nfs/dbraw/zinc/70/09/20/563700920.db2.gz	JETDBUNSPWMQCY-BUXKBTBVSA-N	0	0	324.376	4.390	40	30	biogenic,in-vitro	DIEBRN
CCOc1cccc(NC(C)=CC(=O)c2ccc(OC)cc2)c1	ZINC000006570265	563716820	/nfs/dbraw/zinc/71/68/20/563716820.db2.gz	DDIBHRRNZZDKBG-WYMLVPIESA-N	0	0	311.381	4.293	40	30		DIEBRN
CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1	ZINC000225479843	563756676	/nfs/dbraw/zinc/75/66/76/563756676.db2.gz	KCWORVLJIIRJFU-QGZVFWFLSA-N	0	0	309.438	4.190	40	30		DIEBRN
Brc1cc(/C=N/c2ccccc2)oc1N1CCCC1	ZINC000059301938	563770828	/nfs/dbraw/zinc/77/08/28/563770828.db2.gz	FOIVZRYYTNEBQJ-GZTJUZNOSA-N	0	0	319.202	4.393	40	30		DIEBRN
CCC(=CC(=O)c1ccc(OC)cc1)Nc1ccc(OC)cc1	ZINC000059489061	563771483	/nfs/dbraw/zinc/77/14/83/563771483.db2.gz	CBFIOKAZBWQHTP-FYWRMAATSA-N	0	0	311.381	4.293	40	30		DIEBRN
C=CCc1cc(/C=N/c2cccc(OC)c2)cc(OCC)c1O	ZINC000059679012	563772391	/nfs/dbraw/zinc/77/23/91/563772391.db2.gz	URAZCMHTYKAWDF-DEDYPNTBSA-N	0	0	311.381	4.279	40	30		DIEBRN
C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@]2(C)O	ZINC000263611115	563794335	/nfs/dbraw/zinc/79/43/35/563794335.db2.gz	WUWUSCYXVYUKNZ-BEQPXRQHSA-N	0	0	314.469	4.435	40	30		DIEBRN
C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@H]1CC[C@@]2(C)O	ZINC000263611117	563794769	/nfs/dbraw/zinc/79/47/69/563794769.db2.gz	WUWUSCYXVYUKNZ-ZKFYLNTHSA-N	0	0	314.469	4.435	40	30		DIEBRN
C=C[C@]1(C)C=C2[C@H](CC1)[C@]1(CO)CCCC(C)(C)[C@@H]1C[C@@H]2O	ZINC000008652733	563835397	/nfs/dbraw/zinc/83/53/97/563835397.db2.gz	LLFMTZAPZGDWMG-VDWQKOAOSA-N	0	0	304.474	4.085	40	30		DIEBRN
C=CCC1(CC=C)CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C	ZINC000012147551	563838151	/nfs/dbraw/zinc/83/81/51/563838151.db2.gz	JYXZKCJQCOMBQS-UHFFFAOYSA-N	0	0	321.424	4.122	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1	ZINC000113955865	563857593	/nfs/dbraw/zinc/85/75/93/563857593.db2.gz	QCYREASBFMZYAK-INIZCTEOSA-N	0	0	309.409	4.359	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1	ZINC000030663211	563857640	/nfs/dbraw/zinc/85/76/40/563857640.db2.gz	LLVZISZWPCBMCT-UHFFFAOYSA-N	0	0	322.408	4.104	40	30		DIEBRN
C=CCOC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21	ZINC000216940232	563858827	/nfs/dbraw/zinc/85/88/27/563858827.db2.gz	LIENXZYYIMLPFG-UHFFFAOYSA-N	0	0	307.324	4.384	40	30		DIEBRN
Clc1cccc(Cl)c1CN=Nc1nncc2ccccc21	ZINC000014109979	563872207	/nfs/dbraw/zinc/87/22/07/563872207.db2.gz	UUTUBBDEKCFWNH-DJKKODMXSA-N	0	0	317.179	4.383	40	30		DIEBRN
C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3)sc2C1	ZINC000001959691	563886298	/nfs/dbraw/zinc/88/62/98/563886298.db2.gz	PMBUEFZELJVWLC-FROQITRMSA-N	0	0	322.433	4.396	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000226258017	563913247	/nfs/dbraw/zinc/91/32/47/563913247.db2.gz	VATAMZIFODPUSC-VMPITWQZSA-N	0	0	321.159	4.443	40	30		DIEBRN
COc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1OC	ZINC000002166796	563915661	/nfs/dbraw/zinc/91/56/61/563915661.db2.gz	GZTBLNPAZHPNBG-KEBDBYFISA-N	0	0	309.287	4.473	40	30		DIEBRN
CCCOc1cccc(/C=N/NCc2ccccc2Cl)c1	ZINC000008811823	563922451	/nfs/dbraw/zinc/92/24/51/563922451.db2.gz	PKKLVGCXAFFXOD-XDHOZWIPSA-N	0	0	302.805	4.253	40	30		DIEBRN
CCCOc1ccc(/C=N/NCc2ccccc2Cl)cc1	ZINC000008811806	563922496	/nfs/dbraw/zinc/92/24/96/563922496.db2.gz	WKCQDZHOSQXEJI-XDHOZWIPSA-N	0	0	302.805	4.253	40	30		DIEBRN
CCCOc1ccccc1/C=N/NCc1ccc(Cl)cc1	ZINC000010118984	563922587	/nfs/dbraw/zinc/92/25/87/563922587.db2.gz	YELRVVGOURHHGJ-DEDYPNTBSA-N	0	0	302.805	4.253	40	30		DIEBRN
N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCCC2	ZINC000000274862	563926731	/nfs/dbraw/zinc/92/67/31/563926731.db2.gz	XOFJVENMOIJRDL-UHFFFAOYSA-N	0	0	320.421	4.001	40	30		DIEBRN
CC(C)CCc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1	ZINC000225854384	563938993	/nfs/dbraw/zinc/93/89/93/563938993.db2.gz	WNRFIXZHDCPQLS-UHFFFAOYSA-N	0	0	301.821	4.232	40	30		DIEBRN
N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccccc1	ZINC000225887841	563939127	/nfs/dbraw/zinc/93/91/27/563939127.db2.gz	GPPRSVIBGBIUNA-UHFFFAOYSA-N	0	0	305.406	4.141	40	30		DIEBRN
Cc1sc(N=NCc2ccc(C)cc2)nc1-c1ccccc1	ZINC000034286238	563960357	/nfs/dbraw/zinc/96/03/57/563960357.db2.gz	DCVXQHQUUAGDBC-XDHOZWIPSA-N	0	0	307.422	4.873	40	30		DIEBRN
Cc1nc(N)c(C#N)c(-c2c[nH]c3ccccc32)c1-c1ccccc1	ZINC000408979253	563960521	/nfs/dbraw/zinc/96/05/21/563960521.db2.gz	LTNBXECBUSPQIL-UHFFFAOYSA-N	0	0	324.387	4.659	40	30		DIEBRN
CCCCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1	ZINC000001567953	568412295	/nfs/dbraw/zinc/41/22/95/568412295.db2.gz	BRCZCDQNJZAAGC-QFBILLFUSA-N	0	0	305.462	4.365	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OC	ZINC000044901838	568417472	/nfs/dbraw/zinc/41/74/72/568417472.db2.gz	VHAWIAOKPUXMEQ-LJQANCHMSA-N	0	0	321.420	4.231	40	30		DIEBRN
C=C(C)C1(O)[C@@H]2c3ccccc3[C@H]1c1c2c(F)c(F)c(F)c1F	ZINC000045071346	568417577	/nfs/dbraw/zinc/41/75/77/568417577.db2.gz	INPVPADNIXGWFR-NCNPBXTDSA-N	0	0	320.285	4.141	40	30		DIEBRN
N#Cc1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1	ZINC000225498540	1039324461	/nfs/dbraw/zinc/32/44/61/1039324461.db2.gz	GCEMBQSVLHKZOH-UHFFFAOYSA-N	0	0	313.404	4.347	40	30		DIEBRN
N#CC(=NNc1ccc(Cl)cc1)c1nc2ccccc2s1	ZINC000006890671	1042149549	/nfs/dbraw/zinc/14/95/49/1042149549.db2.gz	MXJLNUHAGMEXJF-MOSHPQCFSA-N	0	0	312.785	4.289	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NCCSC(C)(C)C)cc1	ZINC000225352210	1044420141	/nfs/dbraw/zinc/42/01/41/1044420141.db2.gz	RSIYZYUABNZXDC-UHFFFAOYSA-N	0	0	324.515	4.070	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NCc2cccc(C)c2)cc1	ZINC000225428063	1044423970	/nfs/dbraw/zinc/42/39/70/1044423970.db2.gz	GTDDRWUWMFARBK-UHFFFAOYSA-N	0	0	312.438	4.046	40	30		DIEBRN
C=CCOc1ccc(NC(=O)Cc2ccccc2Cl)cc1	ZINC000225438262	1044425053	/nfs/dbraw/zinc/42/50/53/1044425053.db2.gz	ZUZYLFOFQMVBGE-UHFFFAOYSA-N	0	0	301.773	4.086	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@]3(C)[C@H](CC[C@]3(C)O)[C@H]12	ZINC000263605456	1044814171	/nfs/dbraw/zinc/81/41/71/1044814171.db2.gz	PTQMMNYJKCSPET-BUIUMOGMSA-N	0	0	302.458	4.125	40	30		DIEBRN
COc1cccc(C=Nc2ccc(N3CCCCC3)cc2)c1O	ZINC000254876345	1053492396	/nfs/dbraw/zinc/49/23/96/1053492396.db2.gz	VWDHFJOIHWGBDH-UHFFFAOYSA-N	0	0	310.397	4.142	40	30		DIEBRN
Cc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)o1	ZINC000008410595	1056067095	/nfs/dbraw/zinc/06/70/95/1056067095.db2.gz	MJTUUCXDHWIVKT-DHDCSXOGSA-N	0	0	312.394	4.096	40	30		DIEBRN
CN(C)c1ccc(/C=N\c2ccc(Br)cc2)cc1	ZINC000095617098	185382678	/nfs/dbraw/zinc/38/26/78/185382678.db2.gz	APXXWOXAUKWLDQ-BOPFTXTBSA-N	0	0	303.203	4.266	40	30		DIEBRN
Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccccc3)S2)c1	ZINC000083316833	185221796	/nfs/dbraw/zinc/22/17/96/185221796.db2.gz	PYAOIRXGIIVORU-BOPFTXTBSA-N	0	0	322.433	4.064	40	30		DIEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2Cc2cccc(F)c2)c1	ZINC000225854996	201755451	/nfs/dbraw/zinc/75/54/51/201755451.db2.gz	IWAVFDURSXVOQH-UHFFFAOYSA-N	0	0	319.383	4.029	40	30		DIEBRN
CCCCCn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1	ZINC000225853017	201755581	/nfs/dbraw/zinc/75/55/81/201755581.db2.gz	HVKDXUUZOKNSQJ-UHFFFAOYSA-N	0	0	301.821	4.376	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2)cc1C	ZINC000225885766	201759466	/nfs/dbraw/zinc/75/94/66/201759466.db2.gz	LXCJRGXCXXDYPZ-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
O=C(NO)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	ZINC000226290746	201772723	/nfs/dbraw/zinc/77/27/23/201772723.db2.gz	IUOQYWCWNBQETF-UHFFFAOYSA-N	0	0	306.532	4.026	40	30		DIEBRN
CC(C)N=Nc1nc2cc(NC(=O)c3ccccc3)ccc2s1	ZINC000072229714	191077718	/nfs/dbraw/zinc/07/77/18/191077718.db2.gz	JMPYENDSBFGSJM-UHFFFAOYSA-N	0	0	324.409	4.356	40	30		DIEBRN
Clc1cnc(N=NCc2c[nH]c3ccccc23)c(Cl)c1	ZINC000072336295	191126783	/nfs/dbraw/zinc/12/67/83/191126783.db2.gz	WPRFQEJPZPGWGD-GXHLCREISA-N	0	0	305.168	4.316	40	30		DIEBRN
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)C2C(=O)C1=O	ZINC000000003047	180668259	/nfs/dbraw/zinc/66/82/59/180668259.db2.gz	FNNZMRSRVYUVQT-QUCCMNQESA-N	0	0	314.425	4.305	40	30		DIEBRN
CCOc1ccc2nc(Nc3ccc(F)cc3)c(C#N)cc2c1	ZINC000000373783	180769775	/nfs/dbraw/zinc/76/97/75/180769775.db2.gz	JFHOYYYTNIQHLD-UHFFFAOYSA-N	0	0	307.328	4.388	40	30		DIEBRN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N(CC)CC	ZINC000001472959	180869509	/nfs/dbraw/zinc/86/95/09/180869509.db2.gz	ITIIESCJGRSYRZ-UHFFFAOYSA-N	0	0	306.413	4.076	40	30		DIEBRN
CCC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@H](CC)C1=O	ZINC000001641171	180882930	/nfs/dbraw/zinc/88/29/30/180882930.db2.gz	KGUWKIWUSQALLK-WIYYLYMNSA-N	0	0	306.405	4.347	40	30		DIEBRN
Cc1ccc(S(=O)(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1	ZINC000001743793	180893753	/nfs/dbraw/zinc/89/37/53/180893753.db2.gz	KIEYEULFYXIKJX-RDJZCZTQSA-N	0	0	320.454	4.083	40	30		DIEBRN
COc1cc(OC)c(/N=C/c2ccc(N(C)C)cc2)cc1Cl	ZINC000002166701	180913611	/nfs/dbraw/zinc/91/36/11/180913611.db2.gz	LBSQQPVAXQQQKI-YBFXNURJSA-N	0	0	318.804	4.174	40	30		DIEBRN
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C	ZINC000004429287	181108917	/nfs/dbraw/zinc/10/89/17/181108917.db2.gz	XMUAORABVRJUDU-LEKSSAKUSA-N	0	0	312.453	4.500	40	30	in-vitro	DIEBRN
CC1=C2CC[C@]3(C)C[C@H]4OC(C)(C)O[C@@H]4C[C@@H]3[C@@H]2CCC1=O	ZINC000004831149	181158618	/nfs/dbraw/zinc/15/86/18/181158618.db2.gz	FKWFYNPPMCRLHM-RKVZRBGQSA-N	0	0	304.430	4.012	40	30		DIEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(OC)cc1OC)C2	ZINC000004821239	181156642	/nfs/dbraw/zinc/15/66/42/181156642.db2.gz	YUVBGASFKYICCO-DJJJIMSYSA-N	0	0	315.413	4.025	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@@](C)(CO)CCC[C@@]12C	ZINC000004942615	181177068	/nfs/dbraw/zinc/17/70/68/181177068.db2.gz	IERFAZQCIAZODG-UTBUEMAESA-N	0	0	306.490	4.475	40	30		DIEBRN
COc1ccccc1C=NNc1cc(C)c2cccc(C)c2n1	ZINC000005006910	181189895	/nfs/dbraw/zinc/18/98/95/181189895.db2.gz	HVTCLLTVEJQVPB-UDWIEESQSA-N	0	0	305.381	4.306	40	30		DIEBRN
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCc1ccoc1	ZINC000005064231	181199742	/nfs/dbraw/zinc/19/97/42/181199742.db2.gz	XDYGCIOWNPNVIH-IHPCNDPISA-N	0	0	316.441	4.305	40	30		DIEBRN
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCc1ccoc1	ZINC000005064229	181199720	/nfs/dbraw/zinc/19/97/20/181199720.db2.gz	XDYGCIOWNPNVIH-HOJAQTOUSA-N	0	0	316.441	4.305	40	30	in-vitro	DIEBRN
CC(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000005413380	181240370	/nfs/dbraw/zinc/24/03/70/181240370.db2.gz	SLCGDKQGJLPECU-WEVVVXLNSA-N	0	0	308.377	4.477	40	30		DIEBRN
Cc1cccc(C2=N/C(=C\c3c(O)ccc4ccccc43)C2=O)c1	ZINC000005328221	181229856	/nfs/dbraw/zinc/22/98/56/181229856.db2.gz	DDIQMIUFASHMBX-PDGQHHTCSA-N	0	0	313.356	4.267	40	30		DIEBRN
CC(=C/C=N/N(C)c1ccccc1)/C=C1/Cc2ccccc2C1=O	ZINC000005502567	181250687	/nfs/dbraw/zinc/25/06/87/181250687.db2.gz	SBPVXQDVGFQDML-LIYYBXKRSA-N	0	0	316.404	4.420	40	30		DIEBRN
O=[N+]([O-])c1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)o1	ZINC000005504481	181250728	/nfs/dbraw/zinc/25/07/28/181250728.db2.gz	QJVPJQNMAJDPJZ-CPNJWEJPSA-N	0	0	321.336	4.229	40	30		DIEBRN
C=CCn1c(C)csc1=Nc1cccc(Br)c1	ZINC000005571423	181258644	/nfs/dbraw/zinc/25/86/44/181258644.db2.gz	UOWFXMAQUZQNHW-UHFFFAOYSA-O	0	0	310.240	4.036	40	30		DIEBRN
N#Cc1cc(Nc2cccc3ccccc32)c([N+](=O)[O-])cc1C#N	ZINC000005660922	181268622	/nfs/dbraw/zinc/26/86/22/181268622.db2.gz	YMRLZIFNFNZJII-UHFFFAOYSA-N	0	0	314.304	4.235	40	30		DIEBRN
CCOc1ccc(C=NNc2ccc(Cl)cc2)cc1OC	ZINC000005654161	181268183	/nfs/dbraw/zinc/26/81/83/181268183.db2.gz	BMCSNQRKXQFENI-WOJGMQOQSA-N	0	0	304.777	4.193	40	30		DIEBRN
COCCC(=NC(C)(C)C)Nc1c(Cl)cccc1Cl	ZINC000005713436	181275160	/nfs/dbraw/zinc/27/51/60/181275160.db2.gz	RJMQOWFHBPQMCP-UHFFFAOYSA-N	0	0	303.233	4.448	40	30		DIEBRN
CCOc1ccc(NC(=O)/C(=C\c2ccc(C)cc2)C(C)=O)cc1	ZINC000005809032	181285577	/nfs/dbraw/zinc/28/55/77/181285577.db2.gz	JCHHDJNRJYEQRR-UYRXBGFRSA-N	0	0	323.392	4.005	40	30		DIEBRN
N#Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000006225024	181320929	/nfs/dbraw/zinc/32/09/29/181320929.db2.gz	KMAUWFOBTJEKOM-UHFFFAOYSA-N	0	0	305.259	4.221	40	30		DIEBRN
N#Cc1ccc2ccn(Cc3ccc(Br)cc3)c2c1	ZINC000006257543	181323475	/nfs/dbraw/zinc/32/34/75/181323475.db2.gz	MIDWXECFUPQOIC-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
C=CCOc1cc2c(cc1[C@@H](C)c1ccc(F)cc1)OCO2	ZINC000006437382	181341488	/nfs/dbraw/zinc/34/14/88/181341488.db2.gz	OUJHENDVCAWKRE-LBPRGKRZSA-N	0	0	300.329	4.271	40	30		DIEBRN
COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OC	ZINC000006583854	181356901	/nfs/dbraw/zinc/35/69/01/181356901.db2.gz	WJCJNRVQAUCAGR-ZHACJKMWSA-N	0	0	302.757	4.253	40	30		DIEBRN
N#Cc1ccc2c(ccn2Cc2cccc(Br)c2)c1	ZINC000216945794	201504877	/nfs/dbraw/zinc/50/48/77/201504877.db2.gz	JCFSJOKFULSSIS-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
CC[C@@H](Sc1cccs1)C(=O)Nc1ccccc1C#N	ZINC000261526763	203075538	/nfs/dbraw/zinc/07/55/38/203075538.db2.gz	JUMNGXFDKMTNRW-CYBMUJFWSA-N	0	0	302.424	4.129	40	30		DIEBRN
N/N=C(/c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1	ZINC000008627814	181570228	/nfs/dbraw/zinc/57/02/28/181570228.db2.gz	GENRSUNZVRLXIE-OBOGJDLMSA-N	0	0	301.393	4.203	40	30		DIEBRN
C=CCC1(CC=C)CCN1C(=O)c1c(C)oc2ccc(O)cc21	ZINC000012325715	181750632	/nfs/dbraw/zinc/75/06/32/181750632.db2.gz	PUFFAXDHGZQJEC-UHFFFAOYSA-N	0	0	311.381	4.184	40	30		DIEBRN
N#Cc1ccc(SCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000016401883	182043852	/nfs/dbraw/zinc/04/38/52/182043852.db2.gz	KIUMMQMTIXOHDH-UHFFFAOYSA-N	0	0	304.758	4.412	40	30		DIEBRN
Cc1ccc(C(=O)/C=C/c2ccc(O)c(Br)c2)cc1	ZINC000016405549	182044179	/nfs/dbraw/zinc/04/41/79/182044179.db2.gz	WBHNZXCFUCGALA-XBXARRHUSA-N	0	0	317.182	4.359	40	30		DIEBRN
C(=N/N=C\c1ccco1)\c1ccc(OCc2ccccc2)cc1	ZINC000016919258	182064284	/nfs/dbraw/zinc/06/42/84/182064284.db2.gz	HDIVFVPKKNQJMH-NAWSQEDCSA-N	0	0	304.349	4.312	40	30		DIEBRN
C(=N\N=C/c1ccc(OCc2ccccc2)cc1)\c1ccco1	ZINC000016919254	182064529	/nfs/dbraw/zinc/06/45/29/182064529.db2.gz	HDIVFVPKKNQJMH-NMGXZBPKSA-N	0	0	304.349	4.312	40	30		DIEBRN
O=C1C[C@H](c2ccccc2F)CC2=Nc3ccccc3N=CC12	ZINC000017031297	182069085	/nfs/dbraw/zinc/06/90/85/182069085.db2.gz	QRQITFRTTQZLFM-GFCCVEGCSA-N	0	0	306.340	4.354	40	30		DIEBRN
CC1=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O	ZINC000017300866	182081726	/nfs/dbraw/zinc/08/17/26/182081726.db2.gz	RSOKUNXLBOCFIH-VPFGTQIVSA-N	0	0	302.458	4.269	40	30		DIEBRN
C=C[C@](C)(CCCC(C)(C)O)C[C@@H](O)COCc1ccccc1	ZINC000022005333	182303654	/nfs/dbraw/zinc/30/36/54/182303654.db2.gz	DTOYIIPWMBSADM-UYAOXDASSA-N	0	0	320.473	4.088	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000118919270	194941435	/nfs/dbraw/zinc/94/14/35/194941435.db2.gz	IFIMOKPOZBFPSW-NHWXPXPKSA-N	0	0	314.469	4.269	40	30		DIEBRN
C[C@H](O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000104346461	256579397	/nfs/dbraw/zinc/57/93/97/256579397.db2.gz	NQUWVDWNFTXZNH-BHZZVGFRSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@H]1CC[C@@H]2O	ZINC000245239004	256606084	/nfs/dbraw/zinc/60/60/84/256606084.db2.gz	DKCLFTBKKHWBQS-NSCONCJASA-N	0	0	318.457	4.011	40	30		DIEBRN
O=[N+]([O-])c1cc(/N=C/c2ccc(N3CCCC3)o2)ccc1Cl	ZINC000059138142	257217056	/nfs/dbraw/zinc/21/70/56/257217056.db2.gz	OZAGWXIMRMGBJL-LICLKQGHSA-N	0	0	319.748	4.192	40	30		DIEBRN
COc1cc(OC)c(/C=C2\Cc3ccccc3C2=O)cc1Cl	ZINC000409367786	257220016	/nfs/dbraw/zinc/22/00/16/257220016.db2.gz	KVFNTCFXBPAFIW-MDWZMJQESA-N	0	0	314.768	4.180	40	30		DIEBRN
COc1cc(N2CCCCC2)ccc1/C=N\c1cccc(O)c1	ZINC000409238646	257220989	/nfs/dbraw/zinc/22/09/89/257220989.db2.gz	BEACCJVBXIOSGK-ZHZULCJRSA-N	0	0	310.397	4.142	40	30		DIEBRN
C=CCN(C(=S)Nc1ccc2conc2c1)c1ccccc1	ZINC000409195427	257221163	/nfs/dbraw/zinc/22/11/63/257221163.db2.gz	ISTDACHALNVCRP-UHFFFAOYSA-N	0	0	309.394	4.217	40	30		DIEBRN
CCc1cccc2c(C#N)cn(CCOc3ccc(C)cc3)c21	ZINC000409194324	257221190	/nfs/dbraw/zinc/22/11/90/257221190.db2.gz	KACDSBKFNRHUEI-UHFFFAOYSA-N	0	0	304.393	4.463	40	30		DIEBRN
C=CCc1cc(CO)cc(OCC)c1OCc1ccc(C)cc1	ZINC000409129503	257222174	/nfs/dbraw/zinc/22/21/74/257222174.db2.gz	GXMXRMRMRYWAKN-UHFFFAOYSA-N	0	0	312.409	4.194	40	30		DIEBRN
C#CCOc1c(CC=C)cc(CNc2ccccc2)cc1OCC	ZINC000409117254	257222269	/nfs/dbraw/zinc/22/22/69/257222269.db2.gz	NXZUUSPLNSYTAC-UHFFFAOYSA-N	0	0	321.420	4.438	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N/c1ccc(C(=O)OC)cc1	ZINC000409108562	257222879	/nfs/dbraw/zinc/22/28/79/257222879.db2.gz	WTMOPDUEQICEMJ-YBFXNURJSA-N	0	0	317.772	4.276	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N\c1cccc([N+](=O)[O-])c1	ZINC000409107457	257223093	/nfs/dbraw/zinc/22/30/93/257223093.db2.gz	PZZBIMKFUMMSOY-YVLHZVERSA-N	0	0	304.733	4.398	40	30		DIEBRN
C=CCOc1ccccc1/C=C1\Sc2ccccc2NC1=O	ZINC000409103270	257223110	/nfs/dbraw/zinc/22/31/10/257223110.db2.gz	VROAWBVMRVSCAF-ATVHPVEESA-N	0	0	309.390	4.337	40	30		DIEBRN
COc1ccc(C)cc1NC=CC(=O)c1ccc(Cl)cc1	ZINC000409058541	257223742	/nfs/dbraw/zinc/22/37/42/257223742.db2.gz	YHHGJZBUPFLWFO-MDZDMXLPSA-N	0	0	301.773	4.466	40	30		DIEBRN
N#Cc1ccc(-c2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000409021845	257224126	/nfs/dbraw/zinc/22/41/26/257224126.db2.gz	BTMLVHYIKRWBOJ-NDENLUEZSA-N	0	0	317.304	4.477	40	30		DIEBRN
COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(C)o3)nc1-2	ZINC000409049763	257224190	/nfs/dbraw/zinc/22/41/90/257224190.db2.gz	YJIDLYLJPXMGNA-NVMNQCDNSA-N	0	0	310.378	4.375	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1ccc2nsnc2c1	ZINC000408999349	257224856	/nfs/dbraw/zinc/22/48/56/257224856.db2.gz	KNRKZPRDHGMNQW-UHFFFAOYSA-N	0	0	322.503	4.338	40	30		DIEBRN
COc1ccc(-n2cccc2C=Nc2ccc(C(C)=O)cc2)cc1	ZINC000408955673	257225110	/nfs/dbraw/zinc/22/51/10/257225110.db2.gz	YJEYMLFKSHTSLW-KGENOOAVSA-N	0	0	318.376	4.439	40	30		DIEBRN
COc1ccccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1	ZINC000408950500	257225130	/nfs/dbraw/zinc/22/51/30/257225130.db2.gz	FRYQWGXHPGYUQX-RCCKNPSSSA-N	0	0	319.408	4.303	40	30		DIEBRN
Cc1[nH]c2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000408932399	257225481	/nfs/dbraw/zinc/22/54/81/257225481.db2.gz	WSFQWSSTAZICHG-KGENOOAVSA-N	0	0	319.408	4.064	40	30		DIEBRN
COc1ccc(OC)c(C=NNc2ccc(C(F)(F)F)cc2)c1	ZINC000408931826	257225511	/nfs/dbraw/zinc/22/55/11/257225511.db2.gz	QUCBUIKENWBCJY-JMIUGGIZSA-N	0	0	324.302	4.169	40	30		DIEBRN
CC(C)N1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1	ZINC000408910230	257225810	/nfs/dbraw/zinc/22/58/10/257225810.db2.gz	JATCVKXIJGPYDI-ODVGHASUSA-N	0	0	312.394	4.292	40	30		DIEBRN
CC[C@@H](C)Oc1ccccc1C=C1C(=O)c2ccccc2C1=O	ZINC000408914529	257225933	/nfs/dbraw/zinc/22/59/33/257225933.db2.gz	YIGBTKTYNUNENQ-CYBMUJFWSA-N	0	0	306.361	4.327	40	30		DIEBRN
C(=[NH+][N-]c1ccc2ccccc2n1)c1ccc(N2CCCC2)cc1	ZINC000408852654	257226243	/nfs/dbraw/zinc/22/62/43/257226243.db2.gz	MLRCOVYXSKDHKZ-QNGOZBTKSA-N	0	0	316.408	4.281	40	30		DIEBRN
Brc1ccccc1/N=C\c1ccc(N2CCCC2)o1	ZINC000408852047	257226367	/nfs/dbraw/zinc/22/63/67/257226367.db2.gz	QQHXFIAWOISHAF-BOPFTXTBSA-N	0	0	319.202	4.393	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C)cc(C)c1	ZINC000408740464	257226549	/nfs/dbraw/zinc/22/65/49/257226549.db2.gz	KWBUSNNQODJSRT-TYJAPOHBSA-N	0	0	305.381	4.045	40	30		DIEBRN
Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1C	ZINC000408780694	257226923	/nfs/dbraw/zinc/22/69/23/257226923.db2.gz	IGJDUOIMCOBVCI-MFOYZWKCSA-N	0	0	305.219	4.463	40	30		DIEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3ccco3)S2)cc1Cl	ZINC000408739518	257227012	/nfs/dbraw/zinc/22/70/12/257227012.db2.gz	XFQBOEJRLCWFTH-JYRVWZFOSA-N	0	0	318.785	4.133	40	30		DIEBRN
COc1ccc2c(c1)-c1nc(/N=C/c3cccnc3)sc1CC2	ZINC000408723673	257227730	/nfs/dbraw/zinc/22/77/30/257227730.db2.gz	ZQEBDCSAOZMWHD-RGVLZGJSSA-N	0	0	321.405	4.063	40	30		DIEBRN
CCCCCCCCCCCCNC(=O)C(=O)NC1CCCC1	ZINC000408708340	257227802	/nfs/dbraw/zinc/22/78/02/257227802.db2.gz	XYHKFEKKAQMEDE-UHFFFAOYSA-N	0	0	324.509	4.082	40	30		DIEBRN
COc1ccc2c(c1)OCc1sc(/N=C/c3ccco3)nc1-2	ZINC000408722782	257228078	/nfs/dbraw/zinc/22/80/78/257228078.db2.gz	NCEFUJHYNZFBCX-CAOOACKPSA-N	0	0	312.350	4.055	40	30		DIEBRN
COc1ccc2c(c1)-c1nc(/N=C/c3ccccn3)sc1CC2	ZINC000408723587	257228116	/nfs/dbraw/zinc/22/81/16/257228116.db2.gz	XHMKDCILMUNHEL-RGVLZGJSSA-N	0	0	321.405	4.063	40	30		DIEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1cccc(F)c1	ZINC000408706843	257228345	/nfs/dbraw/zinc/22/83/45/257228345.db2.gz	FXGAJGNJSIGMSS-UHFFFAOYSA-N	0	0	322.424	4.021	40	30		DIEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1	ZINC000408707072	257228698	/nfs/dbraw/zinc/22/86/98/257228698.db2.gz	JEQKCGWIBISLMS-UHFFFAOYSA-N	0	0	322.424	4.021	40	30		DIEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2ccc(C(F)(F)F)cc2)c1	ZINC000408594068	257229135	/nfs/dbraw/zinc/22/91/35/257229135.db2.gz	RWLKXNGCRMMYMZ-DJKKODMXSA-N	0	0	324.258	4.164	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1ccc(N2CCCCCC2)o1	ZINC000408597397	257229233	/nfs/dbraw/zinc/22/92/33/257229233.db2.gz	YUKPMVNYTMPZPU-KGENOOAVSA-N	0	0	323.396	4.082	40	30		DIEBRN
COc1ccc2ccccc2c1/C=N\OCc1ccccc1C#N	ZINC000408594154	257229248	/nfs/dbraw/zinc/22/92/48/257229248.db2.gz	SOJQWPVTSGMLMN-XKZIYDEJSA-N	0	0	316.360	4.271	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1cccn1-c1ccc(F)cc1	ZINC000408596769	257229259	/nfs/dbraw/zinc/22/92/59/257229259.db2.gz	UKSFEFYIXQMOHN-LPYMAVHISA-N	0	0	319.339	4.039	40	30		DIEBRN
C=CCn1cc(/C=N/OCc2ccccc2C#N)c2ccccc21	ZINC000408590726	257229310	/nfs/dbraw/zinc/22/93/10/257229310.db2.gz	HQUUSFANQSIVJY-LPYMAVHISA-N	0	0	315.376	4.250	40	30		DIEBRN
C=CCOc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1	ZINC000408554224	257230018	/nfs/dbraw/zinc/23/00/18/257230018.db2.gz	BYWZPDIEEDDMIL-UHFFFAOYSA-N	0	0	318.760	4.425	40	30		DIEBRN
COc1cc(C)c(/C=N/c2ccccc2SC)cc1OC	ZINC000408548950	257230088	/nfs/dbraw/zinc/23/00/88/257230088.db2.gz	OBIGDSVNPQEYLH-WOJGMQOQSA-N	0	0	301.411	4.485	40	30		DIEBRN
COc1ccc(Cl)cc1/N=C/c1cc(OC)c(OC)cc1C	ZINC000408549715	257230377	/nfs/dbraw/zinc/23/03/77/257230377.db2.gz	XMIQFKHRUXEWNM-VXLYETTFSA-N	0	0	319.788	4.425	40	30		DIEBRN
O=C(Oc1ccc(/C=N/O)cc1)c1ccc(Cl)c(Cl)c1	ZINC000216777367	257230747	/nfs/dbraw/zinc/23/07/47/257230747.db2.gz	KPFDRGNOMFEOGW-CAOOACKPSA-N	0	0	310.136	4.021	40	30		DIEBRN
O=C(Oc1ccc(/C=N\O)cc1)c1ccc(Cl)cc1Cl	ZINC000216781295	257230836	/nfs/dbraw/zinc/23/08/36/257230836.db2.gz	LSNSSUYLCWYBLP-IUXPMGMMSA-N	0	0	310.136	4.021	40	30		DIEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(CCCC)C1=O	ZINC000005552391	257231199	/nfs/dbraw/zinc/23/11/99/257231199.db2.gz	FYRHSBPQBMJAND-QINSGFPZSA-N	0	0	317.410	4.088	40	30		DIEBRN
CSc1nc2ccc(/N=C\c3ccccc3O)cc2s1	ZINC000104213433	257232622	/nfs/dbraw/zinc/23/26/22/257232622.db2.gz	DIJLQVWCPJVXOU-SXGWCWSVSA-N	0	0	300.408	4.474	40	30		DIEBRN
N#C[C@H](C(=O)COc1ccc2ccccc2c1)c1ccccc1	ZINC000216962151	257232799	/nfs/dbraw/zinc/23/27/99/257232799.db2.gz	UJWAMAHWLYRQNT-IBGZPJMESA-N	0	0	301.345	4.095	40	30		DIEBRN
COc1ccc(NC(=S)Nc2ccc(C#N)cc2)cc1Cl	ZINC000071761819	331922723	/nfs/dbraw/zinc/92/27/23/331922723.db2.gz	NHZYPTITPHFSBH-UHFFFAOYSA-N	0	0	317.801	4.029	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](F)C[C@]4(C)C3=CC[C@]21C	ZINC000263602282	333945813	/nfs/dbraw/zinc/94/58/13/333945813.db2.gz	MCBUDGHRLJAMOZ-JUTOQRCKSA-N	0	0	318.432	4.137	40	30		DIEBRN
C=CCSc1ccccc1C(=O)Nc1ccc(F)c(F)c1	ZINC000219806932	337151578	/nfs/dbraw/zinc/15/15/78/337151578.db2.gz	AJVNSRQLMYCDDJ-UHFFFAOYSA-N	0	0	305.349	4.495	40	30		DIEBRN
CC(=NNc1cc(C)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1	ZINC000024036209	518465346	/nfs/dbraw/zinc/46/53/46/518465346.db2.gz	LNMQAPUEABMCFL-DEDYPNTBSA-N	0	0	320.352	4.288	40	30		DIEBRN
CC(=NOC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1	ZINC000005370792	518470687	/nfs/dbraw/zinc/47/06/87/518470687.db2.gz	HBSPWLLQDXJHLJ-YBFXNURJSA-N	0	0	316.744	4.147	40	30		DIEBRN
C=CCC1=C(C)[C@H](OC(=O)/C=C\c2ccccc2Cl)CC1=O	ZINC000017160690	518691025	/nfs/dbraw/zinc/69/10/25/518691025.db2.gz	SDQAOKBAZBWUMM-DOOKAGJSSA-N	0	0	316.784	4.130	40	30		DIEBRN
C=CCSc1nc2ccccc2n1C(=O)c1ccc(C)cc1	ZINC000027024456	519081133	/nfs/dbraw/zinc/08/11/33/519081133.db2.gz	AUGWXDZWHYFCTJ-UHFFFAOYSA-N	0	0	308.406	4.311	40	30		DIEBRN
CCCCCC(C=NNc1nc(C)cc(=O)[nH]1)=Cc1ccccc1	ZINC000017379129	519921036	/nfs/dbraw/zinc/92/10/36/519921036.db2.gz	PJLHLMWDNLVTGO-XDJAMHPTSA-N	0	0	324.428	4.140	40	30		DIEBRN
CCCCCCCCCCCC(=O)Nc1ncnc2[nH]cnc21	ZINC000001627301	519983174	/nfs/dbraw/zinc/98/31/74/519983174.db2.gz	MRDLFKDRJFWURU-UHFFFAOYSA-N	0	0	317.437	4.212	40	30		DIEBRN
CCCCCCCC[C@H](O)C1=CC(=O)c2ccccc2C1=O	ZINC000001689355	520047198	/nfs/dbraw/zinc/04/71/98/520047198.db2.gz	OLMNFDQDOAXOJJ-KRWDZBQOSA-N	0	0	300.398	4.104	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2cccc(Cl)c2C)o1	ZINC000226256662	563913180	/nfs/dbraw/zinc/91/31/80/563913180.db2.gz	PERGCSAFNNPAQL-CSKARUKUSA-N	0	0	300.741	4.098	40	30		DIEBRN
CSc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000006622546	563924506	/nfs/dbraw/zinc/92/45/06/563924506.db2.gz	AEFZXIBYKXJLET-UFWORHAWSA-N	0	0	311.332	4.268	40	30		DIEBRN
CC(C)Oc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1	ZINC000010119017	563922550	/nfs/dbraw/zinc/92/25/50/563922550.db2.gz	MUSPSQZQJIOJIE-UDWIEESQSA-N	0	0	302.805	4.251	40	30		DIEBRN
CC(C)Oc1ccccc1/C=N/NCc1ccc(Cl)cc1	ZINC000010118985	563922651	/nfs/dbraw/zinc/92/26/51/563922651.db2.gz	FUOABKMDMKFYFS-UDWIEESQSA-N	0	0	302.805	4.251	40	30		DIEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000034798305	563243327	/nfs/dbraw/zinc/24/33/27/563243327.db2.gz	SIYKAHUQDROYHO-PXNMLYILSA-N	0	0	310.140	4.348	40	30		DIEBRN
CN(C)c1ccc(/C=C/C(=O)C=C2SCCCS2)cc1	ZINC000068590755	563495071	/nfs/dbraw/zinc/49/50/71/563495071.db2.gz	HYDFDGZRUQNFCB-RMKNXTFCSA-N	0	0	305.468	4.046	40	30		DIEBRN
O=C1c2cc3c(cc2C/C1=C\c1ccc2c(c1)CCC2)CCC3	ZINC000001645335	563289202	/nfs/dbraw/zinc/28/92/02/563289202.db2.gz	POGGKAOBPMQTJO-KEBDBYFISA-N	0	0	300.401	4.486	40	30		DIEBRN
O=C1c2ccccc2C(=O)C(Nc2cccc(Cl)c2)=C1Cl	ZINC000003122498	563322412	/nfs/dbraw/zinc/32/24/12/563322412.db2.gz	RHBPTIRCZSBHQV-UHFFFAOYSA-N	0	0	318.159	4.282	40	30		DIEBRN
O=C(/C=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccccc1	ZINC000013406583	563381282	/nfs/dbraw/zinc/38/12/82/563381282.db2.gz	WLMCFXQYYXNBHT-JLHYYAGUSA-N	0	0	318.328	4.395	40	30		DIEBRN
Cc1nc(N=NC(C)c2ccc(Br)cc2)sc1C	ZINC000014257492	563399538	/nfs/dbraw/zinc/39/95/38/563399538.db2.gz	IHJQCJNVJAQLIW-CXUHLZMHSA-N	0	0	324.247	4.359	40	30		DIEBRN
N#C[C@H](c1c(Cl)cccc1N1CCCCC1)N1CCCCC1	ZINC000020413018	563416711	/nfs/dbraw/zinc/41/67/11/563416711.db2.gz	XLMFZWYBRJSRPJ-QGZVFWFLSA-N	0	0	317.864	4.381	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C/c2ccc3ccccc3c2O)c1	ZINC000032101604	563441987	/nfs/dbraw/zinc/44/19/87/563441987.db2.gz	WYZNRWOBYIRCCK-FYJGNVAPSA-N	0	0	319.360	4.473	40	30		DIEBRN
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(CC#N)cc2)c1	ZINC000044901202	563463802	/nfs/dbraw/zinc/46/38/02/563463802.db2.gz	WZQDRXXURQATBE-INIZCTEOSA-N	0	0	322.408	4.084	40	30		DIEBRN
CCCCCCCCNC(=S)OCc1ccccc1[N+](=O)[O-]	ZINC000059662299	563479649	/nfs/dbraw/zinc/47/96/49/563479649.db2.gz	HLXHWJGRIARJFR-UHFFFAOYSA-N	0	0	324.446	4.346	40	30		DIEBRN
CCCCOc1ccc(NC(=O)C2(C)CCCC2)c(C#N)c1	ZINC000225788224	563482874	/nfs/dbraw/zinc/48/28/74/563482874.db2.gz	GKUAISBEDVYKEL-UHFFFAOYSA-N	0	0	300.402	4.256	40	30		DIEBRN
CC(C)COc1ccc(NC(=O)C2(C)CCCC2)c(C#N)c1	ZINC000225788304	563483093	/nfs/dbraw/zinc/48/30/93/563483093.db2.gz	RWEPSTKBGAWHTE-UHFFFAOYSA-N	0	0	300.402	4.112	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1	ZINC000223020460	563526987	/nfs/dbraw/zinc/52/69/87/563526987.db2.gz	KIJKXGLBRMNGDF-HNNXBMFYSA-N	0	0	309.409	4.305	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1	ZINC000223229373	563538004	/nfs/dbraw/zinc/53/80/04/563538004.db2.gz	RHYDTCZUVBEPOQ-HNNXBMFYSA-N	0	0	321.420	4.231	40	30		DIEBRN
CC(=O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000100032666	563545071	/nfs/dbraw/zinc/54/50/71/563545071.db2.gz	CYTBNQVJLTUXQH-RQZCQDPDSA-N	0	0	302.717	4.201	40	30		DIEBRN
CCCCCCCCCCC=C1C(=O)C(OC)=CC(=O)C1OC	ZINC000100166747	563547018	/nfs/dbraw/zinc/54/70/18/563547018.db2.gz	AUSJVHOZNUUITQ-UHFFFAOYSA-N	0	0	322.445	4.490	40	30		DIEBRN
CCOc1ccc(/N=C\c2cc(Br)ccc2O)cc1	ZINC000100242759	563548322	/nfs/dbraw/zinc/54/83/22/563548322.db2.gz	RWTSBLZRCLRZSA-YVLHZVERSA-N	0	0	320.186	4.304	40	30		DIEBRN
COc1ccc(OC)c(/N=C\c2ccc3ccccc3c2O)c1	ZINC000100248587	563548721	/nfs/dbraw/zinc/54/87/21/563548721.db2.gz	RHRNGZGEKILBGA-NDENLUEZSA-N	0	0	307.349	4.313	40	30		DIEBRN
CCCCCCCCCCCCCCCCS(=O)(=O)NN	ZINC000100983668	563555399	/nfs/dbraw/zinc/55/53/99/563555399.db2.gz	YZYCICNLDUFOSC-UHFFFAOYSA-N	0	0	320.543	4.261	40	30		DIEBRN
O=[N+]([O-])c1ccc(/C=N\c2ccc(Cc3ccncc3)cc2)cc1	ZINC000104165626	563562976	/nfs/dbraw/zinc/56/29/76/563562976.db2.gz	PLAVMUJHFWEAKU-STZFKDTASA-N	0	0	317.348	4.331	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@H]12	ZINC000118927500	563593397	/nfs/dbraw/zinc/59/33/97/563593397.db2.gz	XPQMZKUPBXMJTQ-GDOJDBDTSA-N	0	0	314.469	4.291	40	30		DIEBRN
C=CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1OC	ZINC000006962524	563595985	/nfs/dbraw/zinc/59/59/85/563595985.db2.gz	XIGDRMJMPRKFCG-XSFVSMFZSA-N	0	0	311.381	4.409	40	30		DIEBRN
COc1cccc2c1C[C@@H](C#N)c1ccc(Br)cc1-2	ZINC000000133247	563605296	/nfs/dbraw/zinc/60/52/96/563605296.db2.gz	AXOWSLSZFOFZEN-JTQLQIEISA-N	0	0	314.182	4.288	40	30		DIEBRN
CCCCCc1c(N)cc(C#N)n1CCOc1ccc(C)cc1	ZINC000225861643	563606763	/nfs/dbraw/zinc/60/67/63/563606763.db2.gz	BBWOZLVGTFLRQN-UHFFFAOYSA-N	0	0	311.429	4.062	40	30		DIEBRN
C(=N/[C@@H](c1ccccc1)n1nnc2ccccc21)\c1ccccc1	ZINC000000312202	563607705	/nfs/dbraw/zinc/60/77/05/563607705.db2.gz	OXUWMCHBYJDSCH-LNKKFFRNSA-N	0	0	312.376	4.097	40	30		DIEBRN
Cc1ccc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)o1	ZINC000003252828	563622140	/nfs/dbraw/zinc/62/21/40/563622140.db2.gz	SPWXNQCECGAYPA-LICLKQGHSA-N	0	0	301.415	4.032	40	30		DIEBRN
Clc1ccccc1CN/N=C/c1ccc(Br)cc1	ZINC000008811487	563638256	/nfs/dbraw/zinc/63/82/56/563638256.db2.gz	COEWVOQDEFDTGD-RQZCQDPDSA-N	0	0	323.621	4.226	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc(C)c2)cc1	ZINC000225880623	563645738	/nfs/dbraw/zinc/64/57/38/563645738.db2.gz	OITGFKASUYYHHH-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccccc2)cc1	ZINC000225888405	563649065	/nfs/dbraw/zinc/64/90/65/563649065.db2.gz	QCJQRZPFFHHQLV-UHFFFAOYSA-N	0	0	319.433	4.450	40	30		DIEBRN
CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1	ZINC000012410696	563652166	/nfs/dbraw/zinc/65/21/66/563652166.db2.gz	BPQRTDMRBHFENK-JXAWBTAJSA-N	0	0	321.376	4.210	40	30		DIEBRN
CCOc1ccc(NC(C)=CC(=O)c2cccc(OC)c2)cc1	ZINC000033646860	563717381	/nfs/dbraw/zinc/71/73/81/563717381.db2.gz	JYPABIQEMXHXGR-WYMLVPIESA-N	0	0	311.381	4.293	40	30		DIEBRN
Cc1ccc(NN=C2c3cc(C(C)C)ccc3NC2=O)c(C)c1	ZINC000223730227	563735836	/nfs/dbraw/zinc/73/58/36/563735836.db2.gz	JYYNDZQZIMBAPE-UHFFFAOYSA-N	0	0	307.397	4.195	40	30		DIEBRN
Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1C	ZINC000225706224	563760626	/nfs/dbraw/zinc/76/06/26/563760626.db2.gz	APFINUKUEAHTIE-OAHLLOKOSA-N	0	0	323.465	4.417	40	30		DIEBRN
CCCCCc1c(N)cc(C#N)n1Cc1ccccc1Cl	ZINC000225854150	563764789	/nfs/dbraw/zinc/76/47/89/563764789.db2.gz	HNVSCVWVEATNFC-UHFFFAOYSA-N	0	0	301.821	4.376	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2C)cc1	ZINC000225880598	563765857	/nfs/dbraw/zinc/76/58/57/563765857.db2.gz	ATVQQFHVJNMBPT-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
Cc1ccccc1C(=O)/C=C1/c2ccccc2CC(C)(C)N1C	ZINC000033932123	563770315	/nfs/dbraw/zinc/77/03/15/563770315.db2.gz	YFOIISQFQTXOBA-UYRXBGFRSA-N	0	0	305.421	4.485	40	30		DIEBRN
COC(=O)c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1	ZINC000058822475	563770917	/nfs/dbraw/zinc/77/09/17/563770917.db2.gz	COFZAGASTQEMFD-DEDYPNTBSA-N	0	0	320.348	4.179	40	30		DIEBRN
CCCCCCCCCS(=O)(=O)Nc1cccc(OC)c1	ZINC000059608737	563771678	/nfs/dbraw/zinc/77/16/78/563771678.db2.gz	UHHPFSAIZUFVJY-UHFFFAOYSA-N	0	0	313.463	4.188	40	30		DIEBRN
Cc1c(/C=N/c2ccc([N+](=O)[O-])cc2C)c2ccccc2n1C	ZINC000059679352	563772469	/nfs/dbraw/zinc/77/24/69/563772469.db2.gz	WEPQZNSJXAHEMJ-YBFXNURJSA-N	0	0	307.353	4.454	40	30		DIEBRN
C=C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000100098174	563821282	/nfs/dbraw/zinc/82/12/82/563821282.db2.gz	BARAZKHHMOWWQY-GSVOUGTGSA-N	0	0	312.078	4.208	40	30		DIEBRN
COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC	ZINC000007718187	563822472	/nfs/dbraw/zinc/82/24/72/563822472.db2.gz	VNRMSRBGAIBFBT-VQHVLOKHSA-N	0	0	302.757	4.253	40	30		DIEBRN
CC(C)C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1	ZINC000012220076	563838014	/nfs/dbraw/zinc/83/80/14/563838014.db2.gz	ZFLGJTHRCFYJAL-UHFFFAOYSA-N	0	0	320.436	4.061	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccccc2OC(C)C)cc1	ZINC000014664134	563839333	/nfs/dbraw/zinc/83/93/33/563839333.db2.gz	LSYUSTRTJDOBEX-UHFFFAOYSA-N	0	0	311.381	4.291	40	30		DIEBRN
C=CC[C@H](OC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2	ZINC000001597430	563841344	/nfs/dbraw/zinc/84/13/44/563841344.db2.gz	NLYPEUZNSFTLAM-KRWDZBQOSA-N	0	0	324.376	4.209	40	30		DIEBRN
C=CCOC(=O)c1ccc(-c2ccc(C)cc2Br)o1	ZINC000216738153	563851447	/nfs/dbraw/zinc/85/14/47/563851447.db2.gz	GQNNPFRNFRAMCP-UHFFFAOYSA-N	0	0	321.170	4.360	40	30		DIEBRN
Cc1c(C#N)c2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1	ZINC000000555492	563853950	/nfs/dbraw/zinc/85/39/50/563853950.db2.gz	ZSUTUKBZMNYYIW-UHFFFAOYSA-N	0	0	317.392	4.077	40	30		DIEBRN
Cc1ccc(COc2ccc(/C=N\O)cc2Br)cc1	ZINC000103858281	563855327	/nfs/dbraw/zinc/85/53/27/563855327.db2.gz	QRANMYRWDCHCCN-MFOYZWKCSA-N	0	0	320.186	4.145	40	30		DIEBRN
C=CCOC(=O)c1cccc(OCc2ccccc2Cl)c1	ZINC000216800481	563855402	/nfs/dbraw/zinc/85/54/02/563855402.db2.gz	WJNGVBPLAUQYCF-UHFFFAOYSA-N	0	0	302.757	4.262	40	30		DIEBRN
Cc1ccccc1COc1ccc(/C=N\O)cc1Br	ZINC000103844278	563855569	/nfs/dbraw/zinc/85/55/69/563855569.db2.gz	HNWDPOPIFVNXIJ-MFOYZWKCSA-N	0	0	320.186	4.145	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)cc1	ZINC000216886117	563857041	/nfs/dbraw/zinc/85/70/41/563857041.db2.gz	MLFRXJNLMXJICS-FMIVXFBMSA-N	0	0	312.340	4.147	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1	ZINC000113955681	563857706	/nfs/dbraw/zinc/85/77/06/563857706.db2.gz	CBCNOULACQOVAG-MRXNPFEDSA-N	0	0	309.409	4.359	40	30		DIEBRN
C=CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21	ZINC000216941349	563858352	/nfs/dbraw/zinc/85/83/52/563858352.db2.gz	UGWMJVGTXGBQEI-UHFFFAOYSA-N	0	0	319.360	4.253	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(C)cc2)c1	ZINC000219789605	563869073	/nfs/dbraw/zinc/86/90/73/563869073.db2.gz	BFDWTOBXOQJWDD-INIZCTEOSA-N	0	0	309.409	4.441	40	30		DIEBRN
Cc1cc(Br)c(C)c2sc(N=NC(C)C)nc21	ZINC000045957891	563888778	/nfs/dbraw/zinc/88/87/78/563888778.db2.gz	BWHHQKKOLDSADP-UHFFFAOYSA-N	0	0	312.236	4.483	40	30		DIEBRN
O=C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000001684507	563895478	/nfs/dbraw/zinc/89/54/78/563895478.db2.gz	HXPFJOLFXDJQEG-UHFFFAOYSA-N	0	0	301.345	4.296	40	30		DIEBRN
N#Cc1ccccc1NC(=O)CSc1cccc2ccccc21	ZINC000006238034	563921360	/nfs/dbraw/zinc/92/13/60/563921360.db2.gz	HJLFQVFXDJLUHV-UHFFFAOYSA-N	0	0	318.401	4.442	40	30		DIEBRN
C=CCOc1cccc(/C=N/NCc2ccc(Cl)cc2)c1	ZINC000010118965	563922617	/nfs/dbraw/zinc/92/26/17/563922617.db2.gz	UDCDYMIELPKENX-DEDYPNTBSA-N	0	0	300.789	4.029	40	30		DIEBRN
CC(C)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1	ZINC000010332387	563922681	/nfs/dbraw/zinc/92/26/81/563922681.db2.gz	RXZAZPHHOOWZNJ-UHFFFAOYSA-N	0	0	306.409	4.447	40	30		DIEBRN
CCCCCCCCC/C=C\C[C@@H](CC(=O)OC)C(=O)OC	ZINC000195792265	563924734	/nfs/dbraw/zinc/92/47/34/563924734.db2.gz	DBVBICACWKCOMI-AHKFDXCISA-N	0	0	312.450	4.426	40	30		DIEBRN
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	ZINC000000048780	563926471	/nfs/dbraw/zinc/92/64/71/563926471.db2.gz	DKBWIXQWNHVXLE-ZHACJKMWSA-N	0	0	322.433	4.459	40	30		DIEBRN
Cc1ccc(Cc2nnc(SCc3ccccc3C#N)o2)cc1	ZINC000009198889	563927641	/nfs/dbraw/zinc/92/76/41/563927641.db2.gz	ATLDUMOFYWHMQE-UHFFFAOYSA-N	0	0	321.405	4.133	40	30		DIEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccccc2F)cc1	ZINC000225854705	563939047	/nfs/dbraw/zinc/93/90/47/563939047.db2.gz	KUVORTXCCJAZQC-UHFFFAOYSA-N	0	0	319.383	4.029	40	30		DIEBRN
Cc1sc(N=NCc2cccc(O)c2)nc1-c1ccccc1	ZINC000033378263	563960289	/nfs/dbraw/zinc/96/02/89/563960289.db2.gz	ZQQQXHRRHIICQJ-WQRHYEAKSA-N	0	0	309.394	4.270	40	30		DIEBRN
Cc1sc(N=NCc2cccc(F)c2)nc1-c1ccccc1	ZINC000082371978	563960334	/nfs/dbraw/zinc/96/03/34/563960334.db2.gz	KSRTZOGQSOEACI-YBFXNURJSA-N	0	0	311.385	4.704	40	30		DIEBRN
CC[C@H](N/C(=N\C#N)SC)c1ccc(Cl)c(Cl)c1	ZINC000013998712	1041503011	/nfs/dbraw/zinc/50/30/11/1041503011.db2.gz	BQTHJQHFCNEYJJ-NSHDSACASA-N	0	0	302.230	4.234	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]21C	ZINC000263593413	1044813602	/nfs/dbraw/zinc/81/36/02/1044813602.db2.gz	BFMZZSBHQOCQFQ-DABHTEOTSA-N	0	0	300.442	4.189	40	30		DIEBRN
C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@@H](F)C[C@]4(C)C3=CC[C@]21C	ZINC000263602280	1044814636	/nfs/dbraw/zinc/81/46/36/1044814636.db2.gz	MCBUDGHRLJAMOZ-BPVGNJIUSA-N	0	0	318.432	4.137	40	30		DIEBRN
S=C1N=NC(C2CCCCC2)N1N=Cc1ccc(Cl)cc1	ZINC000253616965	1053358629	/nfs/dbraw/zinc/35/86/29/1053358629.db2.gz	HUCLVAVFELXLDO-UHFFFAOYSA-N	0	0	320.849	4.150	40	30		DIEBRN
CC1=CCC[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1	ZINC001549184065	1058286363	/nfs/dbraw/zinc/28/63/63/1058286363.db2.gz	ARTVDMKLQDTMGX-UTBUEMAESA-N	0	0	322.489	4.379	40	30		DIEBRN
CC(/C=N/NC(=S)Nc1ccccc1F)=C/c1ccccc1	ZINC000096703899	185385547	/nfs/dbraw/zinc/38/55/47/185385547.db2.gz	MFMBYAIWNLTBQE-MDWFKHSNSA-N	0	0	313.401	4.201	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1	ZINC000225567884	201732073	/nfs/dbraw/zinc/73/20/73/201732073.db2.gz	FMWSMSKRKVNGBM-UHFFFAOYSA-N	0	0	305.736	4.296	40	30		DIEBRN
N#Cc1cc(N)c(Cc2ccccc2)n1Cc1ccc(Cl)cc1	ZINC000225854427	201755529	/nfs/dbraw/zinc/75/55/29/201755529.db2.gz	OWLHNQNARZDVCQ-UHFFFAOYSA-N	0	0	321.811	4.234	40	30		DIEBRN
CCCCC(=O)Nc1ccc2sc(N=NC(C)C)nc2c1	ZINC000072229651	191077339	/nfs/dbraw/zinc/07/73/39/191077339.db2.gz	NABRWUJWDUJEBI-UHFFFAOYSA-N	0	0	304.419	4.233	40	30		DIEBRN
C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1	ZINC000000034202	180672952	/nfs/dbraw/zinc/67/29/52/180672952.db2.gz	OSKFWMPEQXGUBI-UHFFFAOYSA-N	0	0	317.392	4.079	40	30		DIEBRN
C=CCc1cccc2cc(C(=O)Nc3cccc(C)c3)c(=O)oc21	ZINC000000322152	180759133	/nfs/dbraw/zinc/75/91/33/180759133.db2.gz	RSQQUTPHZIVBRN-UHFFFAOYSA-N	0	0	319.360	4.082	40	30		DIEBRN
C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000002150857	180912820	/nfs/dbraw/zinc/91/28/20/180912820.db2.gz	YMYZFEUFVGKZEM-XVZZZJECSA-N	0	0	301.474	4.406	40	30		DIEBRN
O=C(C#Cc1ccccc1)O[C@@H]1CCCC[C@H]1c1ccccc1	ZINC000003851739	181050028	/nfs/dbraw/zinc/05/00/28/181050028.db2.gz	KDILHQHTMZNVSW-VQTJNVASSA-N	0	0	304.389	4.308	40	30		DIEBRN
C=CCOC(=O)c1ccc2oc(-c3ccccc3Cl)nc2c1	ZINC000073634047	191332964	/nfs/dbraw/zinc/33/29/64/191332964.db2.gz	CYUBUYQARWUILG-UHFFFAOYSA-N	0	0	313.740	4.491	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@](C)(CO)CCC[C@@]12C	ZINC000004942616	181176950	/nfs/dbraw/zinc/17/69/50/181176950.db2.gz	IERFAZQCIAZODG-YHDCXSKOSA-N	0	0	306.490	4.475	40	30		DIEBRN
C=CCOC(=O)c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1	ZINC000073640247	191335022	/nfs/dbraw/zinc/33/50/22/191335022.db2.gz	YDDVZHYGALGNPM-UHFFFAOYSA-N	0	0	321.716	4.159	40	30		DIEBRN
Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000004990582	181186023	/nfs/dbraw/zinc/18/60/23/181186023.db2.gz	NESBIDLAHABETR-PVAVHDDUSA-N	0	0	308.443	4.059	40	30		DIEBRN
COc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1	ZINC000005128798	181207075	/nfs/dbraw/zinc/20/70/75/181207075.db2.gz	RSWWQJNMOSIIDP-BJMVGYQFSA-N	0	0	317.182	4.354	40	30		DIEBRN
COc1cccc(C(=O)/C=C/c2cccc(Br)c2)c1	ZINC000005128908	181207252	/nfs/dbraw/zinc/20/72/52/181207252.db2.gz	GXNRKFCQSHOOIZ-CMDGGOBGSA-N	0	0	317.182	4.354	40	30		DIEBRN
CCC(=O)ON=C1CSc2sc(=S)sc2SC1	ZINC000005417027	181240941	/nfs/dbraw/zinc/24/09/41/181240941.db2.gz	RYRVYHPDKCLTKJ-UHFFFAOYSA-N	0	0	323.511	4.046	40	30		DIEBRN
C=CCn1c(-c2ccccc2)csc1=Nc1cccc(O)c1	ZINC000005495027	181249739	/nfs/dbraw/zinc/24/97/39/181249739.db2.gz	DWEOVTGGSQLAMG-UHFFFAOYSA-O	0	0	309.414	4.338	40	30		DIEBRN
CC/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1CC	ZINC000005552163	181256218	/nfs/dbraw/zinc/25/62/18/181256218.db2.gz	DXKONQIKAJURGX-NPAMKKHASA-N	0	0	302.443	4.122	40	30		DIEBRN
CC(=CCc1ccc(N(C)C)cc1)N=Nc1ccc([N+](=O)[O-])cc1	ZINC000005659215	181268717	/nfs/dbraw/zinc/26/87/17/181268717.db2.gz	FYMBQEUWHCOCAG-FGACYFSBSA-N	0	0	324.384	4.162	40	30		DIEBRN
O=C1c2ccccc2SC[C@]12O[C@@H]2c1ccc(Cl)cc1	ZINC000005663328	181269175	/nfs/dbraw/zinc/26/91/75/181269175.db2.gz	VYVHONMJLUAOAQ-CVEARBPZSA-N	0	0	302.782	4.139	40	30		DIEBRN
C=C[C@]1(C)C=C2[C@H](CC1)[C@@]1(CO)CCCC(C)(C)[C@@H]1C[C@@H]2O	ZINC000005734564	181278522	/nfs/dbraw/zinc/27/85/22/181278522.db2.gz	LLFMTZAPZGDWMG-TXTPUJOMSA-N	0	0	304.474	4.085	40	30		DIEBRN
Cc1nnc(C)n1/N=C\c1c2ccccc2cc2ccccc21	ZINC000005748760	181279992	/nfs/dbraw/zinc/27/99/92/181279992.db2.gz	HAKLLAOXYJMDOF-NDENLUEZSA-N	0	0	300.365	4.084	40	30		DIEBRN
C=CCOc1cc2c(cc1[C@@H](C)c1ccccc1OC)OCO2	ZINC000006437495	181341187	/nfs/dbraw/zinc/34/11/87/181341187.db2.gz	HSQOTBFHTVOUBN-ZDUSSCGKSA-N	0	0	312.365	4.141	40	30		DIEBRN
O=C(/C=C/c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000006576409	181355944	/nfs/dbraw/zinc/35/59/44/181355944.db2.gz	IATWJBXMYUEPMS-ZRDIBKRKSA-N	0	0	319.316	4.350	40	30		DIEBRN
C=CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1	ZINC000006621847	181361267	/nfs/dbraw/zinc/36/12/67/181361267.db2.gz	VKAMARZTQUCRGI-UHFFFAOYSA-N	0	0	323.421	4.221	40	30		DIEBRN
C=CCOC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1	ZINC000216737960	201497529	/nfs/dbraw/zinc/49/75/29/201497529.db2.gz	INDRJPKYDKVBDC-UHFFFAOYSA-N	0	0	321.170	4.360	40	30		DIEBRN
C=CCOC(=O)c1ccc(-c2ccc(Br)cc2C)o1	ZINC000216768253	201498190	/nfs/dbraw/zinc/49/81/90/201498190.db2.gz	LKRCIHFGLRCDPL-UHFFFAOYSA-N	0	0	321.170	4.360	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1	ZINC000216798319	201500394	/nfs/dbraw/zinc/50/03/94/201500394.db2.gz	VBDMUFBHOJISOE-UHFFFAOYSA-N	0	0	320.747	4.401	40	30		DIEBRN
C#CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21	ZINC000216941299	201506344	/nfs/dbraw/zinc/50/63/44/201506344.db2.gz	QWLZMXVRSQBTCT-UHFFFAOYSA-N	0	0	321.763	4.345	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1	ZINC000219784442	201563393	/nfs/dbraw/zinc/56/33/93/201563393.db2.gz	XHWNBBBYURNASE-KRWDZBQOSA-N	0	0	323.436	4.393	40	30		DIEBRN
CCc1ccc2c(c1)C(=NNc1ccc(C(C)C)cc1)C(=O)N2	ZINC000223727101	201654206	/nfs/dbraw/zinc/65/42/06/201654206.db2.gz	ZAPXESVQNDBBMT-UHFFFAOYSA-N	0	0	307.397	4.141	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(OCC=C)cc2)cc1	ZINC000008104734	181526783	/nfs/dbraw/zinc/52/67/83/181526783.db2.gz	XKCBGTWEMZWMJE-UHFFFAOYSA-N	0	0	309.365	4.069	40	30		DIEBRN
CCCCS/C=C1/C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C1=O)[C@@H]23	ZINC000008649164	181571100	/nfs/dbraw/zinc/57/11/00/181571100.db2.gz	LBYJPWLLGLXJAE-BJSWRTRDSA-N	0	0	322.470	4.115	40	30		DIEBRN
O=C1ON=C(c2cccc(Cl)c2)/C1=C/C=C/c1ccccc1	ZINC000012375763	181753161	/nfs/dbraw/zinc/75/31/61/181753161.db2.gz	UGUSANKZQNRPAC-MAHQCVNESA-N	0	0	309.752	4.241	40	30		DIEBRN
Oc1ccccc1/C=N/c1cccc(-c2nc3ncccc3o2)c1	ZINC000016449090	182045277	/nfs/dbraw/zinc/04/52/77/182045277.db2.gz	SYSLMKYHMWIVOG-CIAFOILYSA-N	0	0	315.332	4.346	40	30		DIEBRN
CC(C)c1ccc(-c2c3c(c(C#N)c(N)c2C#N)CCC3)cc1	ZINC000016575955	182049834	/nfs/dbraw/zinc/04/98/34/182049834.db2.gz	VGSMNAWHEMYWQN-UHFFFAOYSA-N	0	0	301.393	4.291	40	30		DIEBRN
O=C1c2ccccc2S/C1=C/c1coc2ccccc2c1=O	ZINC000016525173	182048448	/nfs/dbraw/zinc/04/84/48/182048448.db2.gz	YUHDXERREPZSOC-CXUHLZMHSA-N	0	0	306.342	4.123	40	30		DIEBRN
C=C1C(=NC(=O)c2ccc(C)cc2)C(=C)C(Cl)C(=O)C1Cl	ZINC000016779963	182060781	/nfs/dbraw/zinc/06/07/81/182060781.db2.gz	SUQXHFMYAITMDU-UHFFFAOYSA-N	0	0	322.191	4.185	40	30		DIEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N\C(=O)c1ccc(Cl)cc1	ZINC000016779813	182060965	/nfs/dbraw/zinc/06/09/65/182060965.db2.gz	AOWCAEORCCAKMM-XDJHFCHBSA-N	0	0	301.773	4.033	40	30		DIEBRN
CC1C=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000017044806	182070632	/nfs/dbraw/zinc/07/06/32/182070632.db2.gz	LZHZZWDJQVOHNC-LFIBNONCSA-N	0	0	318.333	4.037	40	30		DIEBRN
C=CCOc1cc2c(cc1C/C=C\c1ccc(OC)cc1)OCO2	ZINC000017175604	182078439	/nfs/dbraw/zinc/07/84/39/182078439.db2.gz	DKSQZUNVZVWLPI-PLNGDYQASA-N	0	0	324.376	4.245	40	30		DIEBRN
C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	ZINC000017300205	182081636	/nfs/dbraw/zinc/08/16/36/182081636.db2.gz	QRHBXQAFGLVWFW-WWYRCOBBSA-N	0	0	302.458	4.125	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1sccc1C	ZINC000020672532	182241920	/nfs/dbraw/zinc/24/19/20/182241920.db2.gz	GBZWMWCSOPBCMK-INIZCTEOSA-N	0	0	323.421	4.284	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1	ZINC000020672502	182242312	/nfs/dbraw/zinc/24/23/12/182242312.db2.gz	IWENHLHZENGRHS-LJQANCHMSA-N	0	0	317.392	4.223	40	30		DIEBRN
O=[N+]([O-])c1ccc(NN=Cc2c(Cl)cccc2Cl)cc1	ZINC000020754412	182246035	/nfs/dbraw/zinc/24/60/35/182246035.db2.gz	VEMKPAMGZOLIPF-LZYBPNLTSA-N	0	0	310.140	4.348	40	30		DIEBRN
Cc1[nH]c2ccccc2c1C=NNc1ccc2ccccc2n1	ZINC000020985965	182257371	/nfs/dbraw/zinc/25/73/71/182257371.db2.gz	BLYXWYLEWCZPAN-UDWIEESQSA-N	0	0	300.365	4.471	40	30		DIEBRN
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccccc1C#N	ZINC000100150274	193795406	/nfs/dbraw/zinc/79/54/06/193795406.db2.gz	BSBKEHJHEHPUDN-CIAFOILYSA-N	0	0	320.783	4.456	40	30		DIEBRN
CC(C)C1=CC2=C[C@@H](O)[C@@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000033833944	182723411	/nfs/dbraw/zinc/72/34/11/182723411.db2.gz	QEAIMIKGLGBTSA-LXGCGDOSSA-N	0	0	316.441	4.097	40	30		DIEBRN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)c(C)c1	ZINC000035489929	182777517	/nfs/dbraw/zinc/77/75/17/182777517.db2.gz	ZMTRBBULFOFXKM-UHFFFAOYSA-N	0	0	321.424	4.179	40	30		DIEBRN
CSC(=Nc1nc2c(cc(C)cc2[N+](=O)[O-])s1)SC	ZINC000057352495	184034756	/nfs/dbraw/zinc/03/47/56/184034756.db2.gz	MQMYKCFCNZSFJN-UHFFFAOYSA-N	0	0	313.429	4.226	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/O)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118914007	194941058	/nfs/dbraw/zinc/94/10/58/194941058.db2.gz	VHLNMRCAXRWHOK-HXGSBECISA-N	0	0	305.462	4.220	40	30	biogenic,in-vitro	DIEBRN
COC(=O)c1cccc(-c2ccc(C=NNc3ccccc3)o2)c1	ZINC000016194276	256526038	/nfs/dbraw/zinc/52/60/38/256526038.db2.gz	HHKKJLFWGYEKNK-DEDYPNTBSA-N	0	0	320.348	4.179	40	30		DIEBRN
CCCCCCCCCCC1OCC(CC)([N+](=O)[O-])CO1	ZINC000100302315	256562278	/nfs/dbraw/zinc/56/22/78/256562278.db2.gz	BFZCAWMNMDGCKE-UHFFFAOYSA-N	0	0	301.427	4.316	40	30		DIEBRN
CCCCCCCCS(=O)(=O)[C@H]1CCCCCC/C1=N\O	ZINC000103013229	256574331	/nfs/dbraw/zinc/57/43/31/256574331.db2.gz	CSGBVAMBSRWGTF-UYTDBDHRSA-N	0	0	317.495	4.315	40	30		DIEBRN
O=C1CCCC(=O)C1C(C1C(=O)CCCC1=O)[C@H]1CC=CCC1	ZINC000255187934	256617728	/nfs/dbraw/zinc/61/77/28/256617728.db2.gz	HSONRAHAWFBKLD-LBPRGKRZSA-N	0	0	316.397	4.089	40	30		DIEBRN
COc1cccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)c1	ZINC000059104169	257217216	/nfs/dbraw/zinc/21/72/16/257217216.db2.gz	QPHSVAQDKHAKTF-RCCKNPSSSA-N	0	0	319.408	4.303	40	30		DIEBRN
CCN1C(=O)/C(=C\c2ccco2)S/C1=N/c1ccc(F)cc1	ZINC000409230939	257220916	/nfs/dbraw/zinc/22/09/16/257220916.db2.gz	HCDCNNBLALSLFD-WVTXTPTHSA-N	0	0	316.357	4.043	40	30		DIEBRN
C#CCOc1ccc(Cl)cc1CNc1ccc(OCC)cc1	ZINC000409115114	257222178	/nfs/dbraw/zinc/22/21/78/257222178.db2.gz	KEXWJKFZLGTTTO-UHFFFAOYSA-N	0	0	315.800	4.363	40	30		DIEBRN
CCOc1cc2c(cc1/C=N\c1ccc(F)c(Cl)c1)OCO2	ZINC000409109171	257222683	/nfs/dbraw/zinc/22/26/83/257222683.db2.gz	ZCCSNVJCLGOGDE-UWVJOHFNSA-N	0	0	321.735	4.357	40	30		DIEBRN
C=CCOc1ccc(CNc2ccc(OC)cc2)cc1OCC	ZINC000409111188	257223054	/nfs/dbraw/zinc/22/30/54/257223054.db2.gz	ASJCBUYUNAKPCD-UHFFFAOYSA-N	0	0	313.397	4.271	40	30		DIEBRN
CC(=O)c1ccc(N=Cc2ccc(N3CCCC3)c(F)c2)cc1	ZINC000409093553	257223465	/nfs/dbraw/zinc/22/34/65/257223465.db2.gz	APVDRLJYKMGTTD-FYJGNVAPSA-N	0	0	310.372	4.379	40	30		DIEBRN
COc1cc2c(cc1/C=N/c1ccc(C)c(Cl)c1)OCO2	ZINC000409065651	257223730	/nfs/dbraw/zinc/22/37/30/257223730.db2.gz	KAQHVBWEYZGGEP-QGMBQPNBSA-N	0	0	303.745	4.136	40	30		DIEBRN
Cc1cc(N2CCOCC2)ccc1/C=N\c1ccccc1Cl	ZINC000409068175	257223749	/nfs/dbraw/zinc/22/37/49/257223749.db2.gz	FYKRICUSSLSVNX-MOSHPQCFSA-N	0	0	314.816	4.236	40	30		DIEBRN
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(N(C)C)cc1	ZINC000408976186	257224620	/nfs/dbraw/zinc/22/46/20/257224620.db2.gz	QDGZIPBBBJDKGN-KGENOOAVSA-N	0	0	318.424	4.306	40	30		DIEBRN
COc1ccc2ccc(OC)c(C=NNc3ccccc3)c2c1	ZINC000409008632	257224665	/nfs/dbraw/zinc/22/46/65/257224665.db2.gz	ZAFBKMBWDCSSBI-MOSHPQCFSA-N	0	0	306.365	4.303	40	30		DIEBRN
C=CCc1cc(/C=C2\Sc3ccccc3C2=O)cc(OC)c1O	ZINC000408976119	257224830	/nfs/dbraw/zinc/22/48/30/257224830.db2.gz	PNMBDUDSEALIJC-BOPFTXTBSA-N	0	0	324.401	4.459	40	30		DIEBRN
COC(=O)c1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1	ZINC000408962474	257225166	/nfs/dbraw/zinc/22/51/66/257225166.db2.gz	YMFMENLWTPMRBU-QNGOZBTKSA-N	0	0	322.408	4.214	40	30		DIEBRN
COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1C	ZINC000408933663	257225501	/nfs/dbraw/zinc/22/55/01/257225501.db2.gz	JUYKEPNCKOWEIP-JMIUGGIZSA-N	0	0	308.303	4.468	40	30		DIEBRN
CC[C@H](C)Oc1ccccc1C=C1C(=O)c2ccccc2C1=O	ZINC000408914531	257225879	/nfs/dbraw/zinc/22/58/79/257225879.db2.gz	YIGBTKTYNUNENQ-ZDUSSCGKSA-N	0	0	306.361	4.327	40	30		DIEBRN
Cc1c(/C=N\c2ccc(C)cc2[N+](=O)[O-])c2ccccc2n1C	ZINC000408854176	257226232	/nfs/dbraw/zinc/22/62/32/257226232.db2.gz	ZBVHXYDKQVYPIP-ODLFYWEKSA-N	0	0	307.353	4.454	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408742059	257226493	/nfs/dbraw/zinc/22/64/93/257226493.db2.gz	UREQIRLVDUMGQO-YDDPGSGASA-N	0	0	311.772	4.081	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408742061	257226921	/nfs/dbraw/zinc/22/69/21/257226921.db2.gz	UREQIRLVDUMGQO-ZVCOJXFSSA-N	0	0	311.772	4.081	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1ccc2nccnc2c1	ZINC000408735587	257227028	/nfs/dbraw/zinc/22/70/28/257227028.db2.gz	TWXRKQNGJZYFOX-UHFFFAOYSA-N	0	0	316.474	4.277	40	30		DIEBRN
O=[N+]([O-])c1cccc(CO/N=C/c2cccc(C(F)(F)F)c2)c1	ZINC000408591191	257229401	/nfs/dbraw/zinc/22/94/01/257229401.db2.gz	IYVROVCYMMFBIQ-DJKKODMXSA-N	0	0	324.258	4.164	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@H](C)c2ccc(C)cc2)ccc1OC	ZINC000216477799	257230835	/nfs/dbraw/zinc/23/08/35/257230835.db2.gz	JKBDIXSHXPNQAH-OAHLLOKOSA-N	0	0	309.409	4.223	40	30		DIEBRN
CCOc1cc(/C=N\O)ccc1OCc1ccc(F)cc1Cl	ZINC000216820821	257230841	/nfs/dbraw/zinc/23/08/41/257230841.db2.gz	QZXCKJRQBYSCCX-OCKHKDLRSA-N	0	0	323.751	4.265	40	30		DIEBRN
CCCCCCCCCCCCCN1CCS(=O)(=O)CC1	ZINC000104188569	257232549	/nfs/dbraw/zinc/23/25/49/257232549.db2.gz	NEYMNQDCYJWBHH-UHFFFAOYSA-N	0	0	317.539	4.028	40	30		DIEBRN
CC(N=Nc1c(F)c(F)nc(F)c1F)c1cccc(Cl)c1	ZINC000048236848	262541329	/nfs/dbraw/zinc/54/13/29/262541329.db2.gz	QFRNIYKVDLVPFS-IOXNKQMXSA-N	0	0	317.673	4.128	40	30		DIEBRN
CCC(=O)Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1	ZINC000016609908	331567971	/nfs/dbraw/zinc/56/79/71/331567971.db2.gz	RNLXIXOCQPMMFF-VCHYOVAHSA-N	0	0	302.761	4.145	40	30		DIEBRN
Oc1ccccc1/C=N\CCCCCC/N=C\c1ccccc1O	ZINC000095548005	332170615	/nfs/dbraw/zinc/17/06/15/332170615.db2.gz	DXVHKINVBJRBGQ-BMJUYKDLSA-N	0	0	324.424	4.196	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NCc2ccccc2C)cc1	ZINC000225310158	332465616	/nfs/dbraw/zinc/46/56/16/332465616.db2.gz	NOGXVFQPLHRSQR-UHFFFAOYSA-N	0	0	312.438	4.046	40	30		DIEBRN
CCn1c(C)c(/C=N/NCc2ccccc2OC)c2ccccc21	ZINC000020762087	333385182	/nfs/dbraw/zinc/38/51/82/333385182.db2.gz	JUWHYBSAPKGKMC-HYARGMPZSA-N	0	0	321.424	4.102	40	30		DIEBRN
C=CCc1ccccc1OCCCn1c(C=O)nc2ccccc21	ZINC000041058294	519142825	/nfs/dbraw/zinc/14/28/25/519142825.db2.gz	MJLJPEPJBVEHHM-UHFFFAOYSA-N	0	0	320.392	4.046	40	30		DIEBRN
CCCC(=O)Nc1ccc(-c2csc(N=NC(C)C)n2)cc1	ZINC000006782925	519877302	/nfs/dbraw/zinc/87/73/02/519877302.db2.gz	WIIGYKYIGQEEOB-UHFFFAOYSA-N	0	0	316.430	4.356	40	30		DIEBRN
CC[C@H](C)Oc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000035189686	521781510	/nfs/dbraw/zinc/78/15/10/521781510.db2.gz	GKRJFXQKONGZJM-CYUIRQCWSA-N	0	0	313.357	4.218	40	30		DIEBRN
COc1cc(/C=C2\CCCC2=O)ccc1OCc1ccccc1	ZINC000000034801	521966894	/nfs/dbraw/zinc/96/68/94/521966894.db2.gz	YOHVFRLMBINCDF-SFQUDFHCSA-N	0	0	308.377	4.411	40	30		DIEBRN
CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CC#N)cc1	ZINC000020452741	522867869	/nfs/dbraw/zinc/86/78/69/522867869.db2.gz	VAYOSPLEGBXBPB-SFHVURJKSA-N	0	0	322.408	4.166	40	30		DIEBRN
CCc1ccc(C(=O)/C=C\Sc2nc(SC)ns2)cc1	ZINC000016161465	523876289	/nfs/dbraw/zinc/87/62/89/523876289.db2.gz	FMPVZDNQFUJNEU-HJWRWDBZSA-N	0	0	322.480	4.311	40	30		DIEBRN
O=C(ON(Cc1ccccc1)Cc1ccccc1)c1ccccc1	ZINC000001603417	526433437	/nfs/dbraw/zinc/43/34/37/526433437.db2.gz	QSVSJKYVIRQTEV-UHFFFAOYSA-N	0	0	317.388	4.461	40	30		DIEBRN
N#C[C@H](C(=O)CSc1nc2ccccc2s1)c1ccccc1	ZINC000026511366	526504983	/nfs/dbraw/zinc/50/49/83/526504983.db2.gz	OTNDGQBGICETGU-ZDUSSCGKSA-N	0	0	324.430	4.265	40	30		DIEBRN
C=CCSc1ccccc1C(=O)Nc1ccc(F)cc1F	ZINC000219803370	563868931	/nfs/dbraw/zinc/86/89/31/563868931.db2.gz	SBDDOWYTAIZSOY-UHFFFAOYSA-N	0	0	305.349	4.495	40	30		DIEBRN
CCCCCCC(=O)/C=C/c1c(OC)cc(OC)cc1OC	ZINC000001572419	563285495	/nfs/dbraw/zinc/28/54/95/563285495.db2.gz	UZMCGFUBKCCLCU-ZHACJKMWSA-N	0	0	306.402	4.265	40	30		DIEBRN
C(=N/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1	ZINC000001639612	563288868	/nfs/dbraw/zinc/28/88/68/563288868.db2.gz	DAYMATJJOGQAIK-JFMUQQRKSA-N	0	0	310.360	4.236	40	30		DIEBRN
COC(=O)c1cc(C)ccc1/C=C1\Cc2c(cc(C)cc2C)C1=O	ZINC000001647246	563289325	/nfs/dbraw/zinc/28/93/25/563289325.db2.gz	GZXJWIVWNUYCDG-MHWRWJLKSA-N	0	0	320.388	4.221	40	30		DIEBRN
O=[N+]([O-])c1ccccc1CC=CN=Nc1ccccc1Cl	ZINC000002617973	563311366	/nfs/dbraw/zinc/31/13/66/563311366.db2.gz	KARJEQLPXBJWSI-ARCZGTBSSA-N	0	0	301.733	4.359	40	30		DIEBRN
CN(/N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1	ZINC000005509944	563329726	/nfs/dbraw/zinc/32/97/26/563329726.db2.gz	VSSSARMDBQDFKN-LSDHQDQOSA-N	0	0	314.388	4.410	40	30		DIEBRN
Brc1ccc2[nH]cc(/C=N\N3CCCCCC3)c2c1	ZINC000017354371	563414344	/nfs/dbraw/zinc/41/43/44/563414344.db2.gz	CDCSNOYDGKIASW-WQRHYEAKSA-N	0	0	320.234	4.140	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2ccc(C)cc2C)cc1OC	ZINC000032194249	563441848	/nfs/dbraw/zinc/44/18/48/563441848.db2.gz	DSQCKCGHUJFJAM-MDZDMXLPSA-N	0	0	311.381	4.129	40	30		DIEBRN
CC(=CC(=O)c1ccc(Br)cc1)Nc1ccncc1	ZINC000032100483	563441934	/nfs/dbraw/zinc/44/19/34/563441934.db2.gz	XTPLGWJQBPMPPW-ZHACJKMWSA-N	0	0	317.186	4.043	40	30		DIEBRN
CC(=CC(=O)c1cccnc1)Nc1cccc(Br)c1	ZINC000032100617	563442057	/nfs/dbraw/zinc/44/20/57/563442057.db2.gz	LGVYPGDUOIEFKH-DHZHZOJOSA-N	0	0	317.186	4.043	40	30		DIEBRN
CCCCCCCC[S@@](=O)[C@H](C)Cc1ccc2c(c1)OCO2	ZINC000043064895	563461822	/nfs/dbraw/zinc/46/18/22/563461822.db2.gz	ATTZFSUZZUNHBP-QRQCRPRQSA-N	0	0	324.486	4.456	40	30	in-vitro	DIEBRN
N#C[C@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1	ZINC000096295506	563536633	/nfs/dbraw/zinc/53/66/33/563536633.db2.gz	FNVRCYNTVYXCQQ-IBGZPJMESA-N	0	0	316.360	4.331	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1	ZINC000223229435	563537727	/nfs/dbraw/zinc/53/77/27/563537727.db2.gz	RHYDTCZUVBEPOQ-OAHLLOKOSA-N	0	0	321.420	4.231	40	30		DIEBRN
COc1cccc(/C=N\c2ccc(N3CCCCC3)cc2)c1O	ZINC000100933850	563554849	/nfs/dbraw/zinc/55/48/49/563554849.db2.gz	VWDHFJOIHWGBDH-ZHZULCJRSA-N	0	0	310.397	4.142	40	30		DIEBRN
COc1ccc2[nH]c(S[C@H]3CCCCCC/C3=N/O)nc2c1	ZINC000100965066	563555230	/nfs/dbraw/zinc/55/52/30/563555230.db2.gz	IZWHIWYRCACJSN-CCNLRRDASA-N	0	0	319.430	4.217	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2cccc(Cl)c2C)cc1	ZINC000101510861	563557787	/nfs/dbraw/zinc/55/77/87/563557787.db2.gz	DAFKAWDGQWERPL-KHPPLWFESA-N	0	0	301.773	4.466	40	30		DIEBRN
C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12	ZINC000118926356	563593480	/nfs/dbraw/zinc/59/34/80/563593480.db2.gz	HZWZHWTZLZZBFF-IFMMWYRXSA-N	0	0	302.458	4.125	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1OCC	ZINC000006962541	563596084	/nfs/dbraw/zinc/59/60/84/563596084.db2.gz	JMKLDFGWFOEVNY-RCCKNPSSSA-N	0	0	323.392	4.247	40	30		DIEBRN
N#Cc1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000033717411	563596531	/nfs/dbraw/zinc/59/65/31/563596531.db2.gz	INFDBCUYMYAGJN-UHFFFAOYSA-N	0	0	306.134	4.039	40	30		DIEBRN
C[C@@H]1CCC[C@H](n2c(N)c(C#N)c3nc4ccccc4nc32)[C@H]1C	ZINC000248177373	563602385	/nfs/dbraw/zinc/60/23/85/563602385.db2.gz	ZRVKUHPGRYCBQJ-WQGACYEGSA-N	0	0	319.412	4.036	40	30		DIEBRN
CC1N=NC(=S)N1N=Cc1c2ccccc2cc2ccccc21	ZINC000008227666	563606892	/nfs/dbraw/zinc/60/68/92/563606892.db2.gz	MOLOYWLHMJNSEQ-YBFXNURJSA-N	0	0	318.405	4.064	40	30		DIEBRN
C(=N/[C@H](c1ccccc1)n1nnc2ccccc21)\c1ccccc1	ZINC000000312209	563607748	/nfs/dbraw/zinc/60/77/48/563607748.db2.gz	OXUWMCHBYJDSCH-GDUPUGJQSA-N	0	0	312.376	4.097	40	30		DIEBRN
N#Cc1cc(N)c(Oc2ccccc2)n1Cc1ccccc1Cl	ZINC000225878866	563617742	/nfs/dbraw/zinc/61/77/42/563617742.db2.gz	JIQIREVAWZQJTO-UHFFFAOYSA-N	0	0	323.783	4.436	40	30		DIEBRN
Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccccc2C)c1	ZINC000225879435	563617896	/nfs/dbraw/zinc/61/78/96/563617896.db2.gz	KXOYBSHZFIAEEC-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
CCCN1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1	ZINC000100519932	563632125	/nfs/dbraw/zinc/63/21/25/563632125.db2.gz	XIPLLUYGFSZHEW-LDORSNRDSA-N	0	0	323.421	4.096	40	30		DIEBRN
CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(CC#N)cc1	ZINC000008494648	563642837	/nfs/dbraw/zinc/64/28/37/563642837.db2.gz	TZROMUAMGQVKIL-UHFFFAOYSA-N	0	0	322.408	4.068	40	30		DIEBRN
C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2)c1	ZINC000008481124	563642857	/nfs/dbraw/zinc/64/28/57/563642857.db2.gz	VVAGPHLGJDEARN-SFHVURJKSA-N	0	0	311.381	4.048	40	30		DIEBRN
Cc1cc(SCC#N)c2cc(Br)cc(C)c2n1	ZINC000095095272	563653755	/nfs/dbraw/zinc/65/37/55/563653755.db2.gz	FOTCOPYIPBECAC-UHFFFAOYSA-N	0	0	307.216	4.230	40	30		DIEBRN
Cc1csc2nc(C)c(/C=N/Nc3ccc4ccccc4n3)n12	ZINC000023219795	563723369	/nfs/dbraw/zinc/72/33/69/563723369.db2.gz	SRDLBXVIRPFYLB-GIJQJNRQSA-N	0	0	321.409	4.007	40	30		DIEBRN
Cc1ccc(NN=C2c3cc(C(C)C)ccc3NC2=O)cc1C	ZINC000223730310	563735902	/nfs/dbraw/zinc/73/59/02/563735902.db2.gz	JQTNGZZHVWQEHS-UHFFFAOYSA-N	0	0	307.397	4.195	40	30		DIEBRN
N#CC1(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1	ZINC000225992803	563767896	/nfs/dbraw/zinc/76/78/96/563767896.db2.gz	ZZEHWCJWQMBMCU-UHFFFAOYSA-N	0	0	312.756	4.375	40	30		DIEBRN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=O)/C=C/c1ccccc1	ZINC000226338407	563768988	/nfs/dbraw/zinc/76/89/88/563768988.db2.gz	SODPQZYHRWLODB-SEXLWHTLSA-N	0	0	314.425	4.273	40	30		DIEBRN
Cc1c(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1C	ZINC000059249581	563770910	/nfs/dbraw/zinc/77/09/10/563770910.db2.gz	WEMZKGZXVCYIGD-YBFXNURJSA-N	0	0	307.353	4.454	40	30		DIEBRN
C=CCc1cc(/C=N/c2ccccc2OC)cc(OCC)c1O	ZINC000059302689	563771605	/nfs/dbraw/zinc/77/16/05/563771605.db2.gz	ANIVHAGWLWQIEA-DEDYPNTBSA-N	0	0	311.381	4.279	40	30		DIEBRN
CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1	ZINC000059678225	563772530	/nfs/dbraw/zinc/77/25/30/563772530.db2.gz	ILGIMZPSRHATSC-RCCKNPSSSA-N	0	0	318.376	4.405	40	30		DIEBRN
CC(=O)C1=C2CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]2CC1	ZINC000263612653	563794581	/nfs/dbraw/zinc/79/45/81/563794581.db2.gz	YJTCYQZTDMGVPF-JSTLVUAASA-N	0	0	302.458	4.269	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@]3(C)[C@H](CC[C@@]3(C)O)[C@H]12	ZINC000263605458	563794747	/nfs/dbraw/zinc/79/47/47/563794747.db2.gz	PTQMMNYJKCSPET-HVEBPZSMSA-N	0	0	302.458	4.125	40	30		DIEBRN
Fc1ccc(CN=Nc2nc(-c3ccccc3)cs2)s1	ZINC000252491718	563813546	/nfs/dbraw/zinc/81/35/46/563813546.db2.gz	LRKSLPPQNANLMA-LZYBPNLTSA-N	0	0	303.387	4.457	40	30		DIEBRN
C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1	ZINC000008104665	563834613	/nfs/dbraw/zinc/83/46/13/563834613.db2.gz	PFTLGNMBBLPMRG-SFHVURJKSA-N	0	0	311.381	4.048	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccccc2OC(C)C)c1	ZINC000008905013	563834931	/nfs/dbraw/zinc/83/49/31/563834931.db2.gz	DWZVIKXXNKZLQH-UHFFFAOYSA-N	0	0	311.381	4.291	40	30		DIEBRN
C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cccnc1	ZINC000016755563	563840058	/nfs/dbraw/zinc/84/00/58/563840058.db2.gz	BIDBJGMAEFXVNR-UHFFFAOYSA-N	0	0	322.437	4.127	40	30		DIEBRN
C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000000577526	563840521	/nfs/dbraw/zinc/84/05/21/563840521.db2.gz	CQTDGXSUUQVZFM-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cc(OC)ccc1OC)C2	ZINC000027232864	563856916	/nfs/dbraw/zinc/85/69/16/563856916.db2.gz	NPXCGKOTIVSUNS-DJJJIMSYSA-N	0	0	315.413	4.025	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21	ZINC000033741219	563857689	/nfs/dbraw/zinc/85/76/89/563857689.db2.gz	DIAJCMVFGKWTEP-SYAJIYQZSA-N	0	0	312.453	4.468	40	30		DIEBRN
C=C1[C@@H]2C[C@@H]3[C@@H](c4cc(OC)cc(OC)c4)OCC[C@]3(C2)[C@H]1C	ZINC000257201554	563885061	/nfs/dbraw/zinc/88/50/61/563885061.db2.gz	AICKKDWNDOHMRR-SYOWUCBYSA-N	0	0	314.425	4.384	40	30		DIEBRN
CCON=C(C)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O	ZINC000521219284	563913862	/nfs/dbraw/zinc/91/38/62/563913862.db2.gz	YOLQZDYRFVKBDV-AUQXIXNCSA-N	0	0	315.413	4.283	40	30		DIEBRN
CCON=C(C)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O	ZINC000521219285	563913939	/nfs/dbraw/zinc/91/39/39/563913939.db2.gz	YOLQZDYRFVKBDV-NPQOUYBPSA-N	0	0	315.413	4.283	40	30		DIEBRN
CCc1cccc2c(C#N)cn(CC(=O)Nc3cccc(C)c3)c21	ZINC000006945232	563921597	/nfs/dbraw/zinc/92/15/97/563921597.db2.gz	DQUOGWUREHVTCP-UHFFFAOYSA-N	0	0	317.392	4.023	40	30		DIEBRN
Cn1c2ccccc2nc1NN=Cc1ccc(Cl)cc1Cl	ZINC000007343378	563921880	/nfs/dbraw/zinc/92/18/80/563921880.db2.gz	SKZOWXBPKMTMCH-GIJQJNRQSA-N	0	0	319.195	4.326	40	30		DIEBRN
COc1cc(/C=N/c2ccccc2C)cc(Br)c1O	ZINC000008570808	563922455	/nfs/dbraw/zinc/92/24/55/563922455.db2.gz	JVMAEDXNLPMHHE-RQZCQDPDSA-N	0	0	320.186	4.222	40	30		DIEBRN
Cc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1-c1ccccc1	ZINC000035342909	563923166	/nfs/dbraw/zinc/92/31/66/563923166.db2.gz	UHKMFGKVMCWJHZ-UHFFFAOYSA-N	0	0	303.340	4.317	40	30		DIEBRN
N#Cc1ccccc1COc1c(Cl)cc(/C=N/O)cc1Cl	ZINC000033562072	563924423	/nfs/dbraw/zinc/92/44/23/563924423.db2.gz	OFZQGTCTFGVUGR-UFWORHAWSA-N	0	0	321.163	4.252	40	30		DIEBRN
Cc1cccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000033412441	563924465	/nfs/dbraw/zinc/92/44/65/563924465.db2.gz	HSACMZNUCYNBTM-DJKKODMXSA-N	0	0	323.274	4.368	40	30		DIEBRN
CCCCCCCCNC(=S)Nc1ccc2ncncc2c1	ZINC000107607335	563924625	/nfs/dbraw/zinc/92/46/25/563924625.db2.gz	PGSZCRNGAPARQR-UHFFFAOYSA-N	0	0	316.474	4.277	40	30		DIEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)c(C)c1	ZINC000165225789	563924696	/nfs/dbraw/zinc/92/46/96/563924696.db2.gz	ZCXDFPAMFDFGJF-KGENOOAVSA-N	0	0	322.408	4.132	40	30		DIEBRN
CCCCCCCCC/C=C\C[C@H](CC(=O)OC)C(=O)OC	ZINC000195792266	563924740	/nfs/dbraw/zinc/92/47/40/563924740.db2.gz	DBVBICACWKCOMI-BFFYNSAMSA-N	0	0	312.450	4.426	40	30		DIEBRN
CC(C)(C)c1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1	ZINC000055175203	563926324	/nfs/dbraw/zinc/92/63/24/563926324.db2.gz	QTQAYDULJGIOEL-VBKFSLOCSA-N	0	0	305.377	4.203	40	30		DIEBRN
COc1ccc(Nc2nc3cc(C)ccc3cc2C#N)c(OC)c1	ZINC000000422293	563926920	/nfs/dbraw/zinc/92/69/20/563926920.db2.gz	UBQIBHCSXWEBCO-UHFFFAOYSA-N	0	0	319.364	4.176	40	30		DIEBRN
Cc1ccc2cc(C#N)c(SCC(=O)c3ccccc3)nc2c1	ZINC000000410848	563926925	/nfs/dbraw/zinc/92/69/25/563926925.db2.gz	VWWOHZVAKLLGGD-UHFFFAOYSA-N	0	0	318.401	4.390	40	30		DIEBRN
N#Cc1cn(Cc2ccccc2)c2ccc(Br)cc12	ZINC000000555396	563927149	/nfs/dbraw/zinc/92/71/49/563927149.db2.gz	MLBYMRMSCYPNMW-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
Cc1ccc(COc2ccc(Br)cc2C#N)cc1	ZINC000011960219	563928480	/nfs/dbraw/zinc/92/84/80/563928480.db2.gz	HQTNEKWFGFHVBG-UHFFFAOYSA-N	0	0	302.171	4.208	40	30		DIEBRN
CCOc1cc(C#N)cc(Cl)c1OCc1cccc(F)c1	ZINC000216826949	563941438	/nfs/dbraw/zinc/94/14/38/563941438.db2.gz	AAGREHPGAPWITI-UHFFFAOYSA-N	0	0	305.736	4.328	40	30		DIEBRN
CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCC(C)CC1	ZINC000030882519	563943908	/nfs/dbraw/zinc/94/39/08/563943908.db2.gz	IGZOWMGSMRLDLH-QYZOEREBSA-N	0	0	316.489	4.403	40	30	biogenic,in-vitro	DIEBRN
CCCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1	ZINC000001567951	568412294	/nfs/dbraw/zinc/41/22/94/568412294.db2.gz	BRCZCDQNJZAAGC-LPHOPBHVSA-N	0	0	305.462	4.365	40	30		DIEBRN
N#Cc1ccc(OCCCCCOc2ccc(C#N)cc2)cc1	ZINC000001593364	1035597148	/nfs/dbraw/zinc/59/71/48/1035597148.db2.gz	DHTURPCVCDUKBT-UHFFFAOYSA-N	0	0	306.365	4.058	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccccc1CC	ZINC000105453508	1041275800	/nfs/dbraw/zinc/27/58/00/1041275800.db2.gz	XYHILKHEARGHRX-UHFFFAOYSA-N	0	0	318.461	4.054	40	30		DIEBRN
N#CCSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N	ZINC000261527102	1044800288	/nfs/dbraw/zinc/80/02/88/1044800288.db2.gz	ZUKWUIQPSHWDBQ-UHFFFAOYSA-N	0	0	317.373	4.496	40	30		DIEBRN
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC	ZINC000253535680	1047120439	/nfs/dbraw/zinc/12/04/39/1047120439.db2.gz	GCKFUYQCUCGESZ-RBFKZVKLSA-N	0	0	324.464	4.049	40	30	world	DIEBRN
C#CCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC	ZINC000208509438	1055709301	/nfs/dbraw/zinc/70/93/01/1055709301.db2.gz	WKWIODJKEPROKR-LDADJPATSA-N	0	0	322.385	4.037	40	30		DIEBRN
O=C(C=CNc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F	ZINC000002568765	1055970785	/nfs/dbraw/zinc/97/07/85/1055970785.db2.gz	JSUODYOAKYAFSX-ONEGZZNKSA-N	0	0	317.616	4.416	40	30		DIEBRN
C=CCc1ccccc1O[C@@H](C)c1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000076555544	185022399	/nfs/dbraw/zinc/02/23/99/185022399.db2.gz	YDRUJJLOKFSBQS-LBPRGKRZSA-N	0	0	323.352	4.340	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NCCC2=CCCCC2)cc1	ZINC000225355496	201696811	/nfs/dbraw/zinc/69/68/11/201696811.db2.gz	TYTUYMNKEWQVPR-UHFFFAOYSA-N	0	0	316.470	4.428	40	30		DIEBRN
CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(Cl)c2)CC1	ZINC000079026886	185147376	/nfs/dbraw/zinc/14/73/76/185147376.db2.gz	ZQSUUNQAAQFFOC-UHFFFAOYSA-N	0	0	320.820	4.132	40	30		DIEBRN
CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1	ZINC000008125916	190631320	/nfs/dbraw/zinc/63/13/20/190631320.db2.gz	MARKUQAFKWPTFX-UHFFFAOYSA-N	0	0	322.408	4.068	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NC2(C3CC3)CCCC2)c1	ZINC000225868808	201757006	/nfs/dbraw/zinc/75/70/06/201757006.db2.gz	CDZUAYRBBGXFFF-UHFFFAOYSA-N	0	0	316.470	4.261	40	30		DIEBRN
CCC(C)N=Nc1nc2ccc(NC(=O)C(C)C)cc2s1	ZINC000072229641	191077287	/nfs/dbraw/zinc/07/72/87/191077287.db2.gz	MRKXHZPREDYHKV-ZDLGFXPLSA-N	0	0	304.419	4.089	40	30		DIEBRN
CCCC(=O)Nc1ccc(Cl)c2nc(N=NC(C)C)sc21	ZINC000072229820	191077790	/nfs/dbraw/zinc/07/77/90/191077790.db2.gz	BVGPAHZKKBFEFL-UHFFFAOYSA-N	0	0	324.837	4.496	40	30		DIEBRN
CC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	ZINC000072238811	191081540	/nfs/dbraw/zinc/08/15/40/191081540.db2.gz	NZVYHBILPZFERW-JLHYYAGUSA-N	0	0	302.377	4.450	40	30		DIEBRN
COc1cc(CC/C=C/C(=O)CCc2ccccc2)ccc1O	ZINC000014504378	290932910	/nfs/dbraw/zinc/93/29/10/290932910.db2.gz	NOHMOWQGVDSLNY-UXBLZVDNSA-N	0	0	310.393	4.092	40	30	biogenic,in-vitro	DIEBRN
CSc1nnc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000001106197	180846753	/nfs/dbraw/zinc/84/67/53/180846753.db2.gz	WTLDLCBYAQLXLQ-UHFFFAOYSA-N	0	0	303.390	4.404	40	30		DIEBRN
FC1(F)C2=C(SC3=C(S2)C(F)(F)C3(F)F)C1(F)F	ZINC000001713102	180890875	/nfs/dbraw/zinc/89/08/75/180890875.db2.gz	QNWOBBZMABTYBU-UHFFFAOYSA-N	0	0	312.206	4.458	40	30		DIEBRN
C=CC(C)(C)c1c2oc(=O)ccc2c(O)c2c1OC(C)(C)C=C2	ZINC000003641076	181043722	/nfs/dbraw/zinc/04/37/22/181043722.db2.gz	WYMMNGQSPNWCIK-UHFFFAOYSA-N	0	0	312.365	4.146	40	30	biogenic,in-vitro	DIEBRN
COc1ccc2c(c1)CC[C@@H]1C2=CC(=O)C[C@@H]1c1ccccc1	ZINC000004293003	181093610	/nfs/dbraw/zinc/09/36/10/181093610.db2.gz	DIXQISWGQZORSL-VQTJNVASSA-N	0	0	304.389	4.398	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000004411315	181107478	/nfs/dbraw/zinc/10/74/78/181107478.db2.gz	ILGPJZIKYMIGMU-SJFWLOONSA-N	0	0	314.469	4.435	40	30		DIEBRN
C=CCOC[C@@H]1C[C@@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl	ZINC000004683809	181136420	/nfs/dbraw/zinc/13/64/20/181136420.db2.gz	RANOUTODVJUUNK-WHGOUJPWSA-N	0	0	302.028	4.257	40	30		DIEBRN
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@@]21C	ZINC000004706035	181140668	/nfs/dbraw/zinc/14/06/68/181140668.db2.gz	CQNNLXQECGKHEH-BZIXAJQCSA-N	0	0	300.442	4.333	40	30		DIEBRN
Clc1cc(N=NCc2ccccc2)nc(-c2ccccc2)n1	ZINC000004713167	181140940	/nfs/dbraw/zinc/14/09/40/181140940.db2.gz	PXENSMHNBTZVCX-XDHOZWIPSA-N	0	0	308.772	4.243	40	30		DIEBRN
N/N=C(\c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1	ZINC000004830692	181158758	/nfs/dbraw/zinc/15/87/58/181158758.db2.gz	GENRSUNZVRLXIE-VKQKAZQBSA-N	0	0	301.393	4.203	40	30		DIEBRN
O=C(C=CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000004905404	181171591	/nfs/dbraw/zinc/17/15/91/181171591.db2.gz	NQKFASDASXHEDD-FPLPWBNLSA-N	0	0	320.707	4.196	40	30		DIEBRN
Cc1ccc2nc([N-][NH+]=Cc3ccc(N(C)C)cc3)cc(C)c2c1	ZINC000005006886	181189545	/nfs/dbraw/zinc/18/95/45/181189545.db2.gz	UTPRMRZCECAXRH-FYJGNVAPSA-N	0	0	318.424	4.364	40	30		DIEBRN
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1	ZINC000005376287	181235781	/nfs/dbraw/zinc/23/57/81/181235781.db2.gz	QPVMMIGAOGQKAU-ATVHPVEESA-N	0	0	322.433	4.449	40	30		DIEBRN
CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(C)o2)S1	ZINC000005376664	181236407	/nfs/dbraw/zinc/23/64/07/181236407.db2.gz	LVXGQBNTNPZVPC-XNTDXEJSSA-N	0	0	312.394	4.042	40	30		DIEBRN
CCc1ccc(/N=C2/NC(=O)/C(=C\c3cccs3)S2)cc1	ZINC000005376758	181236608	/nfs/dbraw/zinc/23/66/08/181236608.db2.gz	JBSDQPRQYSVAKN-GXDHUFHOSA-N	0	0	314.435	4.202	40	30		DIEBRN
N#Cc1c(N)c(C#N)c(-c2ccc(Cl)c(Cl)c2)nc1Cl	ZINC000085409227	192501348	/nfs/dbraw/zinc/50/13/48/192501348.db2.gz	RIVFZAPIZCMTQT-UHFFFAOYSA-N	0	0	323.570	4.034	40	30		DIEBRN
Cc1ccccc1/C=N\N1C(=O)[C@@H](C)S[C@H]1c1ccccc1C	ZINC000005663033	181268742	/nfs/dbraw/zinc/26/87/42/181268742.db2.gz	ALFNGVYJTRFKEG-MHGUWOPYSA-N	0	0	324.449	4.300	40	30		DIEBRN
O=C1c2ccccc2SC[C@@]12O[C@@H]2c1ccc(Cl)cc1	ZINC000005663331	181269214	/nfs/dbraw/zinc/26/92/14/181269214.db2.gz	VYVHONMJLUAOAQ-HZPDHXFCSA-N	0	0	302.782	4.139	40	30		DIEBRN
COC(=O)c1ccccc1-c1ccc(C=NNc2ccccc2)o1	ZINC000006180088	181317909	/nfs/dbraw/zinc/31/79/09/181317909.db2.gz	IHFFCIMIGFLXRJ-DEDYPNTBSA-N	0	0	320.348	4.179	40	30		DIEBRN
Cc1ccc(COc2ccc(C#N)cc2Br)cc1	ZINC000006204522	181319192	/nfs/dbraw/zinc/31/91/92/181319192.db2.gz	CQWCCUVRTRCCBG-UHFFFAOYSA-N	0	0	302.171	4.208	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N2CCCc3ccccc32)c1	ZINC000219785018	201563961	/nfs/dbraw/zinc/56/39/61/201563961.db2.gz	ZZKPPYYKKZRIEL-UHFFFAOYSA-N	0	0	307.393	4.235	40	30		DIEBRN
C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224700658	201677788	/nfs/dbraw/zinc/67/77/88/201677788.db2.gz	ILHTZLUNSSZSRH-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
O=C(/C=C/c1ccccc1F)c1cccc(Br)c1	ZINC000007717876	181489023	/nfs/dbraw/zinc/48/90/23/181489023.db2.gz	DTNKTUWIUBGNSQ-CMDGGOBGSA-N	0	0	305.146	4.484	40	30		DIEBRN
C=CCSc1nc(-c2ccccc2)c2c(c1C(N)=O)CCCC2	ZINC000095117547	193424479	/nfs/dbraw/zinc/42/44/79/193424479.db2.gz	BDWHIPIGGRCFOA-UHFFFAOYSA-N	0	0	324.449	4.004	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)NC2CCCCCCC2)c1	ZINC000008570649	181564994	/nfs/dbraw/zinc/56/49/94/181564994.db2.gz	RSBCSTATTPUVFV-UHFFFAOYSA-N	0	0	301.430	4.484	40	30		DIEBRN
CS/C(=N\C#N)SCOc1cccc(Cl)c1Cl	ZINC000015441942	182002369	/nfs/dbraw/zinc/00/23/69/182002369.db2.gz	ZXKATAIYFIHOAO-GXDHUFHOSA-N	0	0	307.227	4.263	40	30		DIEBRN
CS/C(=N\C#N)SCOc1ccc(Cl)cc1Cl	ZINC000015441940	182002598	/nfs/dbraw/zinc/00/25/98/182002598.db2.gz	RIWJOZOXAJYEAZ-GXDHUFHOSA-N	0	0	307.227	4.263	40	30		DIEBRN
CCOc1ccc2nc(Nc3ccc(O)c(C#N)c3)sc2c1	ZINC000016693083	182058354	/nfs/dbraw/zinc/05/83/54/182058354.db2.gz	SAXUPYFUFTXIDT-UHFFFAOYSA-N	0	0	311.366	4.016	40	30		DIEBRN
O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc2ccccc2c1	ZINC000017022982	182068213	/nfs/dbraw/zinc/06/82/13/182068213.db2.gz	UIASZIZNIOGSLS-UITAMQMPSA-N	0	0	302.329	4.465	40	30		DIEBRN
CC(=C\C=N\N(C)c1ccccc1)/C=C1/Cc2ccccc2C1=O	ZINC000017064574	182074234	/nfs/dbraw/zinc/07/42/34/182074234.db2.gz	SBPVXQDVGFQDML-BCASHXKPSA-N	0	0	316.404	4.420	40	30		DIEBRN
COc1cc(Br)cc(OC)c1/N=C/c1ccccc1	ZINC000017120154	182075916	/nfs/dbraw/zinc/07/59/16/182075916.db2.gz	IOEFDDICSQBDBD-LICLKQGHSA-N	0	0	320.186	4.217	40	30		DIEBRN
CCCCCCC(=O)/C=C\c1c(OC)cc(OC)cc1OC	ZINC000017123707	182076490	/nfs/dbraw/zinc/07/64/90/182076490.db2.gz	UZMCGFUBKCCLCU-KHPPLWFESA-N	0	0	306.402	4.265	40	30		DIEBRN
CCCCCCC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1	ZINC000017123709	182076712	/nfs/dbraw/zinc/07/67/12/182076712.db2.gz	QOGIVDJCFJTMMQ-KHPPLWFESA-N	0	0	306.402	4.265	40	30		DIEBRN
Cc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)cc1	ZINC000019860978	182157828	/nfs/dbraw/zinc/15/78/28/182157828.db2.gz	DACKWSJGDXBCEU-XHFQWSKPSA-N	0	0	320.421	4.090	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1	ZINC000023081350	182346556	/nfs/dbraw/zinc/34/65/56/182346556.db2.gz	VGISOZJVXLAIDE-IBGZPJMESA-N	0	0	307.393	4.059	40	30		DIEBRN
N#Cc1ccc(Br)cc1NCc1ccc(F)cc1	ZINC000039956490	183024569	/nfs/dbraw/zinc/02/45/69/183024569.db2.gz	NCKJVJGUEJKUIJ-UHFFFAOYSA-N	0	0	305.150	4.072	40	30		DIEBRN
CCOc1cc(C=NNc2cc(C)nc3ccccc32)ccc1O	ZINC000041127741	183169689	/nfs/dbraw/zinc/16/96/89/183169689.db2.gz	YTYGXLXDHZBCHT-UDWIEESQSA-N	0	0	321.380	4.094	40	30		DIEBRN
CC(=CC(=O)c1ccncc1)Nc1ccc(Br)cc1	ZINC000101154153	256568127	/nfs/dbraw/zinc/56/81/27/256568127.db2.gz	BVYOGWOXNAPMRP-ZHACJKMWSA-N	0	0	317.186	4.043	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1cc(C)cc(C)c1	ZINC000103754083	256577154	/nfs/dbraw/zinc/57/71/54/256577154.db2.gz	KXMUUZADIROGQL-UHFFFAOYSA-N	0	0	318.461	4.109	40	30		DIEBRN
O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccco3)cc21	ZINC000109856498	256584593	/nfs/dbraw/zinc/58/45/93/256584593.db2.gz	RFPYQNGHCWEQRQ-YBFXNURJSA-N	0	0	304.305	4.388	40	30		DIEBRN
CC[C@@H](C)n1nc(Cc2cccc3ccccc32)c(C#N)c1N	ZINC000225833341	256597560	/nfs/dbraw/zinc/59/75/60/256597560.db2.gz	LQBLKBQFKDKNKJ-CYBMUJFWSA-N	0	0	304.397	4.052	40	30		DIEBRN
CC(C)=C[C@H](O)C=C(C)CC(=O)C[C@](C)(O)[C@H]1CC=C(C)CC1	ZINC000230141140	256599346	/nfs/dbraw/zinc/59/93/46/256599346.db2.gz	WEUVHVLQXALSSL-NDFDGMIZSA-N	0	0	320.473	4.107	40	30	biogenic,in-vitro	DIEBRN
Brc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1	ZINC000059138686	257217220	/nfs/dbraw/zinc/21/72/20/257217220.db2.gz	NQKPFQZINBVYES-GZTJUZNOSA-N	0	0	319.202	4.393	40	30		DIEBRN
Brc1cccc(/N=C/c2ccc(N3CCCC3)o2)c1	ZINC000059138664	257217291	/nfs/dbraw/zinc/21/72/91/257217291.db2.gz	OUQVMWQKAJRSQB-GZTJUZNOSA-N	0	0	319.202	4.393	40	30		DIEBRN
CC(=CC(=O)c1ccc(C)o1)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000409366676	257220192	/nfs/dbraw/zinc/22/01/92/257220192.db2.gz	UPVNYFJCVGPVPD-VQHVLOKHSA-N	0	0	320.732	4.348	40	30		DIEBRN
Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	ZINC000409232571	257220630	/nfs/dbraw/zinc/22/06/30/257220630.db2.gz	RHUXSHCXBBWSEX-HMAPJEAMSA-N	0	0	318.424	4.306	40	30		DIEBRN
Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccccn1	ZINC000409242139	257220815	/nfs/dbraw/zinc/22/08/15/257220815.db2.gz	MQCCCSZZODZZHG-LPYMAVHISA-N	0	0	300.365	4.111	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OC	ZINC000409199725	257221292	/nfs/dbraw/zinc/22/12/92/257221292.db2.gz	CYCQWBZTMQBIKJ-UDWIEESQSA-N	0	0	313.784	4.420	40	30		DIEBRN
C#CCOc1cccc(CNc2ccc(Br)cc2)c1	ZINC000409200515	257221369	/nfs/dbraw/zinc/22/13/69/257221369.db2.gz	MBQBJPZXYFNAQL-UHFFFAOYSA-N	0	0	316.198	4.073	40	30		DIEBRN
O=C1CCCC1=CNc1ccc(Br)cc1Cl	ZINC000409178444	257221507	/nfs/dbraw/zinc/22/15/07/257221507.db2.gz	IGAYSSANDXOBFQ-FPLPWBNLSA-N	0	0	300.583	4.151	40	30		DIEBRN
C=CCc1cc(CO)cc(OC)c1OCc1ccccc1Cl	ZINC000409116627	257222579	/nfs/dbraw/zinc/22/25/79/257222579.db2.gz	LSGJQRHZHXKFOC-UHFFFAOYSA-N	0	0	318.800	4.148	40	30		DIEBRN
COc1cc2c(cc1/C=N\c1cccc3ccccc31)OCO2	ZINC000409104913	257222674	/nfs/dbraw/zinc/22/26/74/257222674.db2.gz	LBQJUHHSMZPPKQ-JAIQZWGSSA-N	0	0	305.333	4.328	40	30		DIEBRN
CCOc1cc2c(cc1/C=N\c1cccc(Cl)c1)OCO2	ZINC000409106327	257222695	/nfs/dbraw/zinc/22/26/95/257222695.db2.gz	LFFJAKBPTPLXMN-NVMNQCDNSA-N	0	0	303.745	4.218	40	30		DIEBRN
C=CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1	ZINC000409099332	257222697	/nfs/dbraw/zinc/22/26/97/257222697.db2.gz	LDRRDESCGYXPEA-ATVHPVEESA-N	0	0	309.390	4.337	40	30		DIEBRN
C=CCOc1ccc(/C=C2/c3ccccc3NC2=O)cc1OCC	ZINC000409110217	257222910	/nfs/dbraw/zinc/22/29/10/257222910.db2.gz	ULBNMOFAUAODTF-VBKFSLOCSA-N	0	0	321.376	4.143	40	30		DIEBRN
CN(C)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000409098120	257222940	/nfs/dbraw/zinc/22/29/40/257222940.db2.gz	NKHSJFHKCZMFJQ-YVLHZVERSA-N	0	0	303.749	4.065	40	30		DIEBRN
C(=N/c1cccc2ccccc21)\c1ccc(N2CCOCC2)cc1	ZINC000409106629	257223105	/nfs/dbraw/zinc/22/31/05/257223105.db2.gz	OIWIPBSMAVTEEP-CJLVFECKSA-N	0	0	316.404	4.427	40	30		DIEBRN
O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2ccccc2)cc1	ZINC000409094655	257223403	/nfs/dbraw/zinc/22/34/03/257223403.db2.gz	FLPNFJGXTZEUIJ-DEDYPNTBSA-N	0	0	318.336	4.103	40	30		DIEBRN
C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccccc1	ZINC000409075446	257223407	/nfs/dbraw/zinc/22/34/07/257223407.db2.gz	VQRRMPSCXRFBAR-DEDYPNTBSA-N	0	0	311.381	4.201	40	30		DIEBRN
Cc1cc(N2CCOCC2)ccc1/C=N/c1cccc(Cl)c1	ZINC000409069132	257223612	/nfs/dbraw/zinc/22/36/12/257223612.db2.gz	CCNYWEVHTVJYDL-DEDYPNTBSA-N	0	0	314.816	4.236	40	30		DIEBRN
C=CCN(C(=O)c1ccc2sc(C)nc2c1)c1ccccc1	ZINC000408975911	257224563	/nfs/dbraw/zinc/22/45/63/257224563.db2.gz	CRDAAJXKTXHGNI-UHFFFAOYSA-N	0	0	308.406	4.438	40	30		DIEBRN
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccccc1[N+](=O)[O-]	ZINC000408973273	257224581	/nfs/dbraw/zinc/22/45/81/257224581.db2.gz	AFHDHMUULYSGBB-XDHOZWIPSA-N	0	0	320.352	4.148	40	30		DIEBRN
Brc1ccc(C=NN=c2ccc3ccccc3[nH]2)o1	ZINC000408988540	257224624	/nfs/dbraw/zinc/22/46/24/257224624.db2.gz	DSJJHRSAMATDLZ-CXUHLZMHSA-N	0	0	316.158	4.036	40	30		DIEBRN
CC(C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1	ZINC000408931054	257225105	/nfs/dbraw/zinc/22/51/05/257225105.db2.gz	GNXMQNUXKDKUCH-RCCKNPSSSA-N	0	0	324.424	4.061	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N/c2ccc(C#N)cc2)cc1	ZINC000408953383	257225257	/nfs/dbraw/zinc/22/52/57/257225257.db2.gz	PDPWIVKJJPCVBN-KGENOOAVSA-N	0	0	301.349	4.108	40	30		DIEBRN
COc1cc(/C=N/O)cc(Cl)c1OCc1cc(C)cc(C)c1	ZINC000408936294	257225299	/nfs/dbraw/zinc/22/52/99/257225299.db2.gz	FNZWSBWBJLSHMK-DJKKODMXSA-N	0	0	319.788	4.353	40	30		DIEBRN
CN(C)c1ccc(-n2cccc2/C=N\c2ccccc2F)cc1	ZINC000408953461	257225349	/nfs/dbraw/zinc/22/53/49/257225349.db2.gz	PRVMMRVFIAXUKZ-STZFKDTASA-N	0	0	307.372	4.433	40	30		DIEBRN
O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCCCC3)cc2)cc1	ZINC000408850714	257225996	/nfs/dbraw/zinc/22/59/96/257225996.db2.gz	CVEHZZVPNSGZLH-RGEXLXHISA-N	0	0	324.384	4.031	40	30		DIEBRN
COc1ccc([N+](=O)[O-])cc1/N=C\c1cccn1-c1ccccc1	ZINC000408844635	257226319	/nfs/dbraw/zinc/22/63/19/257226319.db2.gz	KOZPEJCDVSTABY-UYRXBGFRSA-N	0	0	321.336	4.145	40	30		DIEBRN
CC(C)c1ccc(C2=CC(=NNc3ccccc3)C(=O)O2)cc1	ZINC000408725201	257227294	/nfs/dbraw/zinc/22/72/94/257227294.db2.gz	IIISPPUCVQBDKW-FXBPSFAMSA-N	0	0	306.365	4.176	40	30		DIEBRN
COc1ccc2c(c1)-c1nc(/N=C/c3ccco3)sc1CC2	ZINC000408723502	257227744	/nfs/dbraw/zinc/22/77/44/257227744.db2.gz	VUKLIKXKSYENLP-VCHYOVAHSA-N	0	0	310.378	4.261	40	30		DIEBRN
Oc1ccccc1/C=N/c1nc2c(s1)-c1ccccc1CC2	ZINC000408723685	257227882	/nfs/dbraw/zinc/22/78/82/257227882.db2.gz	ZVAYPIRAQZLOTC-YBFXNURJSA-N	0	0	306.390	4.365	40	30		DIEBRN
CCOc1ccc(C(C)=NNc2nc3ccccc3n2CC)cc1	ZINC000408692168	257228400	/nfs/dbraw/zinc/22/84/00/257228400.db2.gz	GEODGKXAVCRLEP-STZFKDTASA-N	0	0	322.412	4.291	40	30		DIEBRN
COc1cc(OC)c(/C=N/c2oc(C)c(C)c2C#N)cc1Cl	ZINC000408587429	257229235	/nfs/dbraw/zinc/22/92/35/257229235.db2.gz	FWFUNMFXGCYFCX-UFWORHAWSA-N	0	0	318.760	4.189	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccccc2F)cc1OCC	ZINC000408535153	257230087	/nfs/dbraw/zinc/23/00/87/257230087.db2.gz	YCQNHXMFHNZLJP-UHFFFAOYSA-N	0	0	315.344	4.042	40	30		DIEBRN
Cc1ccccc1/N=C\c1ccccc1I	ZINC000408552397	257230325	/nfs/dbraw/zinc/23/03/25/257230325.db2.gz	SUTWNWBLEWMJCS-YBEGLDIGSA-N	0	0	321.161	4.350	40	30		DIEBRN
N#Cc1c2c(sc1NC(=S)NC1CCCCC1)CCCC2	ZINC000408549181	257230373	/nfs/dbraw/zinc/23/03/73/257230373.db2.gz	QKEUKRGDZWHNRI-UHFFFAOYSA-N	0	0	319.499	4.118	40	30		DIEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1F	ZINC000100250341	257230928	/nfs/dbraw/zinc/23/09/28/257230928.db2.gz	FLIDMDWWUFKIAD-OCKHKDLRSA-N	0	0	323.751	4.265	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1ccc(Cl)cc1Cl	ZINC000003320121	332963340	/nfs/dbraw/zinc/96/33/40/332963340.db2.gz	AXGRWFVBSNAEQR-DJKKODMXSA-N	0	0	305.164	4.416	40	30		DIEBRN
C=C(C)[C@@H]1CC=C(C)[C@](O)([C@@]2(O)C[C@@H](C(=C)C)CC=C2C)C1	ZINC000017781292	336280105	/nfs/dbraw/zinc/28/01/05/336280105.db2.gz	WPQAOGZTDKTBHI-JVSBHGNQSA-N	0	0	302.458	4.313	40	30		DIEBRN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)/C=C\c1ccccc1	ZINC000036610871	519825765	/nfs/dbraw/zinc/82/57/65/519825765.db2.gz	SODPQZYHRWLODB-XDTMRHFQSA-N	0	0	314.425	4.273	40	30		DIEBRN
CCCCCC(C=NNc1nc(C)cc(=O)[nH]1)=Cc1ccccc1	ZINC000031667487	519921196	/nfs/dbraw/zinc/92/11/96/519921196.db2.gz	PJLHLMWDNLVTGO-PDNDKIPHSA-N	0	0	324.428	4.140	40	30		DIEBRN
O=C(C=CNCC(=O)c1ccccc1)c1cccc2ccccc21	ZINC000016476562	527653032	/nfs/dbraw/zinc/65/30/32/527653032.db2.gz	BUCNOAFSLYIHRU-YPKPFQOOSA-N	0	0	315.372	4.009	40	30		DIEBRN
O=C1CCCCCC1=CNc1ccc(Br)cc1F	ZINC000107886544	563640165	/nfs/dbraw/zinc/64/01/65/563640165.db2.gz	OBZVPATZAIWSTA-MDZDMXLPSA-N	0	0	312.182	4.417	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC	ZINC000014396925	563667778	/nfs/dbraw/zinc/66/77/78/563667778.db2.gz	TWYOEFXYAGHUQI-UHFFFAOYSA-N	0	0	301.773	4.329	40	30		DIEBRN
CCN(CC)C(=S)S[C@@H](C)O/N=C(/C)c1ccccc1	ZINC000005794412	563702857	/nfs/dbraw/zinc/70/28/57/563702857.db2.gz	FATUOSRFBGNAFS-WIOAZZGGSA-N	0	0	310.488	4.133	40	30		DIEBRN
CCOc1ccc(NC(=O)/C(=C/c2ccc(C)cc2)C(C)=O)cc1	ZINC000001613849	563288080	/nfs/dbraw/zinc/28/80/80/563288080.db2.gz	JCHHDJNRJYEQRR-CPNJWEJPSA-N	0	0	323.392	4.005	40	30		DIEBRN
CCC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@H](CC)C1=O	ZINC000001641173	563288783	/nfs/dbraw/zinc/28/87/83/563288783.db2.gz	KGUWKIWUSQALLK-NQIIRXRSSA-N	0	0	306.405	4.347	40	30		DIEBRN
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000001711821	563292754	/nfs/dbraw/zinc/29/27/54/563292754.db2.gz	FNNZMRSRVYUVQT-UYAOXDASSA-N	0	0	314.425	4.305	40	30	biogenic,in-vitro	DIEBRN
COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)c(OC)c1	ZINC000007743220	563342045	/nfs/dbraw/zinc/34/20/45/563342045.db2.gz	SUGZNDWLKAHJBK-VQHVLOKHSA-N	0	0	302.757	4.253	40	30		DIEBRN
ClC(=CN=Nc1nncc2ccccc21)Cc1ccccc1	ZINC000007986178	563343537	/nfs/dbraw/zinc/34/35/37/563343537.db2.gz	ABAOZLQICKICFL-AZFHKVEGSA-N	0	0	308.772	4.307	40	30		DIEBRN
Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2F)S1	ZINC000008416142	563347421	/nfs/dbraw/zinc/34/74/21/563347421.db2.gz	JXWFUDMWMFPCID-GDNBJRDFSA-N	0	0	312.369	4.026	40	30		DIEBRN
CCCCS/C=C1/C[C@@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C1=O)[C@@H]23	ZINC000008649165	563348777	/nfs/dbraw/zinc/34/87/77/563348777.db2.gz	LBYJPWLLGLXJAE-VKPXEQIGSA-N	0	0	322.470	4.115	40	30		DIEBRN
Cc1[nH]nc2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccccc1)N2	ZINC000016265980	563411572	/nfs/dbraw/zinc/41/15/72/563411572.db2.gz	HPGMGOJUDBGPOW-QGZVFWFLSA-N	0	0	307.397	4.028	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000196481442	563464823	/nfs/dbraw/zinc/46/48/23/563464823.db2.gz	OVVPJDZEOZGYIJ-UHFFFAOYSA-N	0	0	302.757	4.262	40	30		DIEBRN
Ic1ccc(/N=C\c2cccs2)cc1	ZINC000100228091	563548287	/nfs/dbraw/zinc/54/82/87/563548287.db2.gz	AXXRFOLDVVCDEN-JYRVWZFOSA-N	0	0	313.163	4.103	40	30		DIEBRN
COc1ccc(OC)c(/N=C/c2c(O)ccc3ccccc32)c1	ZINC000100248320	563548574	/nfs/dbraw/zinc/54/85/74/563548574.db2.gz	SSRBCJKWTKJNPT-UDWIEESQSA-N	0	0	307.349	4.313	40	30		DIEBRN
C[C@H]1CC(C)(C)N2C(=O)/C(=N\c3ccc(O)cc3)c3cccc1c32	ZINC000101763896	563558189	/nfs/dbraw/zinc/55/81/89/563558189.db2.gz	HMIGLVWECWRVJU-FRMRLDDKSA-N	0	0	320.392	4.145	40	30		DIEBRN
CCCc1ccc(/N=C\c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102943500	563560192	/nfs/dbraw/zinc/56/01/92/563560192.db2.gz	QSIMKGFSGDCQSI-MOSHPQCFSA-N	0	0	313.397	4.416	40	30		DIEBRN
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000103872704	563561741	/nfs/dbraw/zinc/56/17/41/563561741.db2.gz	NJZZQTPKDPTVFJ-VXLYETTFSA-N	0	0	319.788	4.434	40	30		DIEBRN
COc1ccc(C(=O)O/N=C2/CCC/C2=C/c2ccccc2)cc1	ZINC000104281879	563563785	/nfs/dbraw/zinc/56/37/85/563563785.db2.gz	JPEHXBNJNKFMBG-WREXEKCJSA-N	0	0	321.376	4.476	40	30		DIEBRN
CCCCCC/C=N\NC(=N)C(=N)N/N=C\CCCCCC	ZINC000104369915	563564487	/nfs/dbraw/zinc/56/44/87/563564487.db2.gz	MYZYKWVLEHFLJZ-AXPXABNXSA-N	0	0	308.474	4.033	40	30		DIEBRN
CC[C@@H](C)n1nc(OCc2cccc3ccccc32)c(C#N)c1N	ZINC000225834044	563580271	/nfs/dbraw/zinc/58/02/71/563580271.db2.gz	WXWKNKSIEIZWSH-CYBMUJFWSA-N	0	0	320.396	4.040	40	30		DIEBRN
CCOc1cc(/C=N/c2ccccc2)cc(Br)c1O	ZINC000006958616	563596112	/nfs/dbraw/zinc/59/61/12/563596112.db2.gz	QXEMVNKZYFETGM-LICLKQGHSA-N	0	0	320.186	4.304	40	30		DIEBRN
C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1	ZINC000224662916	563598363	/nfs/dbraw/zinc/59/83/63/563598363.db2.gz	JESRCUANRIWABE-UHFFFAOYSA-N	0	0	315.438	4.191	40	30		DIEBRN
C[C@@H]1CCC[C@@H](n2c(N)c(C#N)c3nc4ccccc4nc32)[C@H]1C	ZINC000248177370	563602275	/nfs/dbraw/zinc/60/22/75/563602275.db2.gz	ZRVKUHPGRYCBQJ-BFQNTYOBSA-N	0	0	319.412	4.036	40	30		DIEBRN
C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1	ZINC000225931054	563604285	/nfs/dbraw/zinc/60/42/85/563604285.db2.gz	NNDQWHUQUOSSOT-UHFFFAOYSA-N	0	0	322.408	4.097	40	30		DIEBRN
COc1cccc2c1C[C@H](C#N)c1ccc(Br)cc1-2	ZINC000000133249	563605543	/nfs/dbraw/zinc/60/55/43/563605543.db2.gz	AXOWSLSZFOFZEN-SNVBAGLBSA-N	0	0	314.182	4.288	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Sc2ccccc2)cc1	ZINC000225887912	563649120	/nfs/dbraw/zinc/64/91/20/563649120.db2.gz	VRBWZFSVVDGAND-UHFFFAOYSA-N	0	0	319.433	4.450	40	30		DIEBRN
Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1C	ZINC000010118862	563653138	/nfs/dbraw/zinc/65/31/38/563653138.db2.gz	YFPLJZQTZRXIJA-CIAFOILYSA-N	0	0	311.816	4.264	40	30		DIEBRN
COc1cccc(C=NNc2cc(C)c3ccccc3n2)c1OC	ZINC000013372127	563658298	/nfs/dbraw/zinc/65/82/98/563658298.db2.gz	HDGXAPPKKIMROK-NDENLUEZSA-N	0	0	321.380	4.006	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1	ZINC000013639992	563662560	/nfs/dbraw/zinc/66/25/60/563662560.db2.gz	RZYHLZOUSUJHJD-IBGZPJMESA-N	0	0	317.392	4.223	40	30		DIEBRN
C=CCc1cc(C(=O)N2CCCc3ccccc32)ccc1OC	ZINC000014400255	563671503	/nfs/dbraw/zinc/67/15/03/563671503.db2.gz	OLYDYMTYQALTST-UHFFFAOYSA-N	0	0	307.393	4.017	40	30		DIEBRN
COc1ccc(/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cn1	ZINC000223471176	563733843	/nfs/dbraw/zinc/73/38/43/563733843.db2.gz	UERLPYQGUMBHIR-MTJSOVHGSA-N	0	0	321.424	4.473	40	30		DIEBRN
Cc1cccc2c1NC(=O)C2=NNc1cccc(Cl)c1Cl	ZINC000223731583	563735875	/nfs/dbraw/zinc/73/58/75/563735875.db2.gz	OPNPGACTEBLMOI-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
Cc1ccc(Cl)cc1NN=C1c2cc(Cl)ccc2NC1=O	ZINC000223740849	563735960	/nfs/dbraw/zinc/73/59/60/563735960.db2.gz	NPEASYSPUMSLAR-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225467922	563755772	/nfs/dbraw/zinc/75/57/72/563755772.db2.gz	NTXHWQGFTSFNOG-CQSZACIVSA-N	0	0	309.438	4.109	40	30		DIEBRN
Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)c1	ZINC000225536017	563757825	/nfs/dbraw/zinc/75/78/25/563757825.db2.gz	QXDAVYCIXNDDPV-OAHLLOKOSA-N	0	0	323.465	4.417	40	30		DIEBRN
CC(C)C1(NC(=S)Nc2ccc(CC#N)cc2)CCCC1	ZINC000225853197	563764552	/nfs/dbraw/zinc/76/45/52/563764552.db2.gz	WJGMXMVRKTWYBO-UHFFFAOYSA-N	0	0	301.459	4.008	40	30		DIEBRN
C=C[C@@](C)(O)C[C@H](O)/C=C(\C)C[C@H](O)/C=C(\C)CCC=C(C)C	ZINC000034425326	563770382	/nfs/dbraw/zinc/77/03/82/563770382.db2.gz	ORFNMFQBYRQSRP-HBXCQNPFSA-N	0	0	322.489	4.064	40	30	biogenic,in-vitro	DIEBRN
C=C[C@@](C)(O)C[C@@H](O)/C=C(\C)C[C@@H](O)/C=C(\C)CCC=C(C)C	ZINC000034425320	563770401	/nfs/dbraw/zinc/77/04/01/563770401.db2.gz	ORFNMFQBYRQSRP-AKYFYYPCSA-N	0	0	322.489	4.064	40	30	biogenic,in-vitro	DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@@]4(C)[C@H]3CC[C@@]21C	ZINC000253476149	563784380	/nfs/dbraw/zinc/78/43/80/563784380.db2.gz	JRNSSSJKIGAFCT-XZFVFFBOSA-N	0	0	302.458	4.125	40	30		DIEBRN
CCCC(Cl)=NOC(=O)Nc1cc(Cl)ccc1OC	ZINC000100162858	563847489	/nfs/dbraw/zinc/84/74/89/563847489.db2.gz	PTPUTRAEADRBJG-WJDWOHSUSA-N	0	0	305.161	4.250	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC	ZINC000216371488	563843936	/nfs/dbraw/zinc/84/39/36/563843936.db2.gz	BLZMCTXSBPBJDQ-ZDUSSCGKSA-N	0	0	313.372	4.054	40	30		DIEBRN
C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCC	ZINC000217764579	563868159	/nfs/dbraw/zinc/86/81/59/563868159.db2.gz	JLEDXIMWGQFQFU-UHFFFAOYSA-N	0	0	301.386	4.101	40	30		DIEBRN
C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(O)cc1	ZINC000103517808	563873903	/nfs/dbraw/zinc/87/39/03/563873903.db2.gz	YURUQTAGDWBNTK-VHEBQXMUSA-N	0	0	308.406	4.341	40	30		DIEBRN
CCCCCCCSc1nnc(-c2ccccc2Cl)n1N	ZINC000001789706	563878554	/nfs/dbraw/zinc/87/85/54/563878554.db2.gz	UKNWQOKBEIDUJE-UHFFFAOYSA-N	0	0	324.881	4.375	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1OCC	ZINC000006155522	563921291	/nfs/dbraw/zinc/92/12/91/563921291.db2.gz	ZRUKBAVXLPCMHW-UHFFFAOYSA-N	0	0	311.381	4.211	40	30		DIEBRN
C=CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1	ZINC000059426389	563923295	/nfs/dbraw/zinc/92/32/95/563923295.db2.gz	GIFXMSRGCIHHGI-QNZHOBDDSA-N	0	0	320.417	4.477	40	30		DIEBRN
COc1ccc(C(=O)C2=C[C@H]3Cc4ccccc4[C@@H]3C=C2)cc1	ZINC000107767672	563926583	/nfs/dbraw/zinc/92/65/83/563926583.db2.gz	FCOIQWUHJQIHKB-YLJYHZDGSA-N	0	0	302.373	4.330	40	30		DIEBRN
COc1ccc(C#N)cc1OCc1ccc(Cl)c(Cl)c1	ZINC000011885583	563928337	/nfs/dbraw/zinc/92/83/37/563928337.db2.gz	TVAKJPNHBXWQIP-UHFFFAOYSA-N	0	0	308.164	4.453	40	30		DIEBRN
CCCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C#N	ZINC000225788052	563938596	/nfs/dbraw/zinc/93/85/96/563938596.db2.gz	VWUVIYRBCYPZOD-UHFFFAOYSA-N	0	0	300.402	4.256	40	30		DIEBRN
N#Cc1c(N)n(Cc2cccc3ccccc32)nc1C1CCCC1	ZINC000225848551	563938984	/nfs/dbraw/zinc/93/89/84/563938984.db2.gz	BLOHDTWBSMRPGS-UHFFFAOYSA-N	0	0	316.408	4.196	40	30		DIEBRN
CCC(C)N=Nc1nc2ccc(N3CCC(C)CC3)cc2s1	ZINC000057332337	563959925	/nfs/dbraw/zinc/95/99/25/563959925.db2.gz	BTVMIIZNVCIRQB-UYRXBGFRSA-N	0	0	316.474	4.730	40	30		DIEBRN
COc1cccc(-c2nc(N=NC3CCCCC3)sc2C)c1	ZINC000054362889	563960245	/nfs/dbraw/zinc/96/02/45/563960245.db2.gz	ZGAHSTOPVJRVFB-UHFFFAOYSA-N	0	0	315.442	4.859	40	30		DIEBRN
Clc1cc(Cl)c(NN=Cc2ccccn2)c(Cl)c1	ZINC000033725461	568412921	/nfs/dbraw/zinc/41/29/21/568412921.db2.gz	GYOHUZQKXBXXJC-IDUWFGFVSA-N	0	0	300.576	4.488	40	30		DIEBRN
C=CCOc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1	ZINC000225281461	1039316280	/nfs/dbraw/zinc/31/62/80/1039316280.db2.gz	ZNMQXAFHRAACNY-CQSZACIVSA-N	0	0	312.438	4.299	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NC2CCCCCC2)cc1	ZINC000225354024	1044420379	/nfs/dbraw/zinc/42/03/79/1044420379.db2.gz	CSBJUQTZSSSDLI-UHFFFAOYSA-N	0	0	304.459	4.261	40	30		DIEBRN
CCCCOc1c(N)cc(C#N)n1Cc1cccc2ccccc21	ZINC000225874560	1044433353	/nfs/dbraw/zinc/43/33/53/1044433353.db2.gz	PYRUMIRAMQPKMR-UHFFFAOYSA-N	0	0	319.408	4.322	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118933755	1046224483	/nfs/dbraw/zinc/22/44/83/1046224483.db2.gz	RSPVYDFKEFBSTK-BXNKJEFBSA-N	0	0	320.448	4.217	40	30		DIEBRN
CC1=CCC[C@]2(C)O[C@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1	ZINC000958322903	1046813786	/nfs/dbraw/zinc/81/37/86/1046813786.db2.gz	ARTVDMKLQDTMGX-UJMXGEILSA-N	0	0	322.489	4.379	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1	ZINC000105517322	1048140113	/nfs/dbraw/zinc/14/01/13/1048140113.db2.gz	MDGMIESGDANKMY-UHFFFAOYSA-N	0	0	324.852	4.145	40	30		DIEBRN
Cc1c(Cl)cccc1NC(=S)Nc1cccc(C#N)c1	ZINC000006902224	1056062488	/nfs/dbraw/zinc/06/24/88/1056062488.db2.gz	DZMYCKVTPFXYJD-UHFFFAOYSA-N	0	0	301.802	4.329	40	30		DIEBRN
CC[C@H](C)n1nc(Cc2cccc3ccccc32)c(C#N)c1N	ZINC000225833362	201752540	/nfs/dbraw/zinc/75/25/40/201752540.db2.gz	LQBLKBQFKDKNKJ-ZDUSSCGKSA-N	0	0	304.397	4.052	40	30		DIEBRN
Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)c1	ZINC000225880231	201758561	/nfs/dbraw/zinc/75/85/61/201758561.db2.gz	YALAZLSRIGDXQM-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccccc2)c1	ZINC000225878826	201758730	/nfs/dbraw/zinc/75/87/30/201758730.db2.gz	RSRDMMLGJFXQKQ-UHFFFAOYSA-N	0	0	303.365	4.091	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000225630788	186285284	/nfs/dbraw/zinc/28/52/84/186285284.db2.gz	XRGRIYXKOIOBSA-UHFFFAOYSA-N	0	0	307.393	4.383	40	30		DIEBRN
Cc1ccc(N(C(=O)c2ccc(Cl)cc2)C(=S)C#N)cc1	ZINC000001587379	180875612	/nfs/dbraw/zinc/87/56/12/180875612.db2.gz	DDJULNJDZLMNJI-UHFFFAOYSA-N	0	0	314.797	4.146	40	30		DIEBRN
C=C(COC(C)=O)C[C@@H](/C=C(\C)CCC=C(C)C)OC(C)=O	ZINC000001615504	180879117	/nfs/dbraw/zinc/87/91/17/180879117.db2.gz	ZAXYWVMAJQQJNL-PMXLPMHFSA-N	0	0	308.418	4.120	40	30		DIEBRN
COc1ccc([C@H]2O[C@@]23CC(C)(C)c2ccccc2C3=O)cc1	ZINC000001744803	180893765	/nfs/dbraw/zinc/89/37/65/180893765.db2.gz	SRXZBCFCVYQQHL-UYAOXDASSA-N	0	0	308.377	4.070	40	30		DIEBRN
C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C	ZINC000004217175	181085328	/nfs/dbraw/zinc/08/53/28/181085328.db2.gz	YPVUHOBTCWJYNQ-SLHNCBLASA-N	0	0	300.442	4.189	40	30	in-man	DIEBRN
COc1ccc2c(c1)CC[C@H]1C2=CC(=O)C[C@@H]1c1ccccc1	ZINC000004293004	181093483	/nfs/dbraw/zinc/09/34/83/181093483.db2.gz	DIXQISWGQZORSL-WOJBJXKFSA-N	0	0	304.389	4.398	40	30		DIEBRN
N#CC(C#N)=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000004334579	181099534	/nfs/dbraw/zinc/09/95/34/181099534.db2.gz	SOMJBPTVPYIDCS-QZQOTICOSA-N	0	0	306.169	4.224	40	30		DIEBRN
CC(C)CC(CC(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004353133	181101864	/nfs/dbraw/zinc/10/18/64/181101864.db2.gz	SGPCDSVOTFDUBN-UHFFFAOYSA-N	0	0	322.365	4.363	40	30		DIEBRN
C=CCOC[C@H]1C[C@@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl	ZINC000004683810	181136581	/nfs/dbraw/zinc/13/65/81/181136581.db2.gz	RANOUTODVJUUNK-AVPPRXQKSA-N	0	0	302.028	4.257	40	30		DIEBRN
CC(=O)[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000004706032	181140714	/nfs/dbraw/zinc/14/07/14/181140714.db2.gz	CQNNLXQECGKHEH-UEDNIHKISA-N	0	0	300.442	4.333	40	30		DIEBRN
CN(C)c1ccc(CC=CN=Nc2ccc3ccccc3n2)cc1	ZINC000004719129	181141902	/nfs/dbraw/zinc/14/19/02/181141902.db2.gz	WDRDVIZJCQUMPX-NYRKXZQYSA-N	0	0	316.408	4.412	40	30		DIEBRN
C[C@@]12CC[C@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CCC[C@@H]2O	ZINC000004727215	181142834	/nfs/dbraw/zinc/14/28/34/181142834.db2.gz	FFZVTLPCFSOGJI-UHBLESBASA-N	0	0	302.458	4.269	40	30		DIEBRN
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CCC[C@@H]12	ZINC000004727216	181142997	/nfs/dbraw/zinc/14/29/97/181142997.db2.gz	FFZVTLPCFSOGJI-JZCOGDJRSA-N	0	0	302.458	4.269	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](F)C2=O	ZINC000004726715	181143075	/nfs/dbraw/zinc/14/30/75/181143075.db2.gz	WVGGMHNJNOYSMF-NBBHSKLNSA-N	0	0	304.405	4.035	40	30	in-vitro	DIEBRN
CC1=C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12	ZINC000004726458	181143214	/nfs/dbraw/zinc/14/32/14/181143214.db2.gz	KRLNSPRYFLSTPO-GJCUDGATSA-N	0	0	300.442	4.045	40	30	in-vitro	DIEBRN
CC(C)CC(=O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1	ZINC000004747791	181147762	/nfs/dbraw/zinc/14/77/62/181147762.db2.gz	RHRSEZQUWLVSHO-NSIKDUERSA-N	0	0	324.211	4.198	40	30		DIEBRN
CC1=C2CC[C@@]3(C)C[C@H]4OC(C)(C)O[C@@H]4C[C@@H]3[C@@H]2CCC1=O	ZINC000004831150	181158795	/nfs/dbraw/zinc/15/87/95/181158795.db2.gz	FKWFYNPPMCRLHM-PFFDZEIZSA-N	0	0	304.430	4.012	40	30		DIEBRN
C=CCOC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1	ZINC000073634018	191332685	/nfs/dbraw/zinc/33/26/85/191332685.db2.gz	VYFQTPIODBIKEM-UHFFFAOYSA-N	0	0	313.740	4.491	40	30		DIEBRN
C=CCOC(=O)c1ccc2nc(-c3ccccc3F)sc2c1	ZINC000073635081	191333884	/nfs/dbraw/zinc/33/38/84/191333884.db2.gz	ZVYHANHWASMVIN-UHFFFAOYSA-N	0	0	313.353	4.445	40	30		DIEBRN
COCc1ccc(/C=C/C(=O)c2ccc(Br)cc2)o1	ZINC000005007037	181189659	/nfs/dbraw/zinc/18/96/59/181189659.db2.gz	DYTJVPWSMQSWLG-CMDGGOBGSA-N	0	0	321.170	4.085	40	30		DIEBRN
Clc1ccc(C=NNc2nc3cc(Cl)ccc3[nH]2)cc1	ZINC000005072629	181201233	/nfs/dbraw/zinc/20/12/33/181201233.db2.gz	ROROREBKJMMDHZ-CAOOACKPSA-N	0	0	305.168	4.316	40	30		DIEBRN
COc1cccc(/C=C2\N=C(c3ccc(C)cc3)SC2=O)c1	ZINC000005363030	181234606	/nfs/dbraw/zinc/23/46/06/181234606.db2.gz	WAIHJKXBFJZDNU-WJDWOHSUSA-N	0	0	309.390	4.065	40	30		DIEBRN
Cc1ccccc1NN=Cc1cc(Br)cc(C)c1O	ZINC000005549141	181255826	/nfs/dbraw/zinc/25/58/26/181255826.db2.gz	BUYHVUCAUVSGJY-RQZCQDPDSA-N	0	0	319.202	4.218	40	30		DIEBRN
Fc1c(F)c(F)c(N=NCc2ccccc2Cl)c(F)c1F	ZINC000005583470	181260254	/nfs/dbraw/zinc/26/02/54/181260254.db2.gz	ZAPORTPZXMFQFB-DENHBWNVSA-N	0	0	320.648	4.482	40	30		DIEBRN
CC(C)=CCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005601469	181262278	/nfs/dbraw/zinc/26/22/78/181262278.db2.gz	KXKSTFJRCXDCBU-RVDMUPIBSA-N	0	0	306.322	4.037	40	30		DIEBRN
CCOC(=O)c1cc(-c2ccccc2)sc1/N=C(\C)N(C)C	ZINC000005871051	181291619	/nfs/dbraw/zinc/29/16/19/181291619.db2.gz	UZXNXZFRBMTIFS-LDADJPATSA-N	0	0	316.426	4.203	40	30		DIEBRN
N#Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000005949208	181300059	/nfs/dbraw/zinc/30/00/59/181300059.db2.gz	XRGIDMSAUAGMOA-UHFFFAOYSA-N	0	0	313.363	4.227	40	30		DIEBRN
COc1cccc(C=NNc2ccnc3cc(Cl)ccc32)c1	ZINC000006320158	181329893	/nfs/dbraw/zinc/32/98/93/181329893.db2.gz	RXMGBUGDYHCFTN-RGVLZGJSSA-N	0	0	311.772	4.343	40	30		DIEBRN
CSc1cc(-c2ccc(Cl)cc2Cl)oc(=O)c1C#N	ZINC000006520186	181348828	/nfs/dbraw/zinc/34/88/28/181348828.db2.gz	NVSMCFRGVTURHR-UHFFFAOYSA-N	0	0	312.177	4.207	40	30		DIEBRN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000196259836	201423356	/nfs/dbraw/zinc/42/33/56/201423356.db2.gz	LSMHNSCWHUQVDP-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
C=CCOC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1C	ZINC000216936334	201506207	/nfs/dbraw/zinc/50/62/07/201506207.db2.gz	GJSMVYFKLPHBKW-UHFFFAOYSA-N	0	0	320.344	4.111	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2ccccc2Cl)ccc1OC	ZINC000014401077	181951249	/nfs/dbraw/zinc/95/12/49/181951249.db2.gz	RGWRSQLTDHPVAK-UHFFFAOYSA-N	0	0	301.773	4.329	40	30		DIEBRN
Cc1ccc(NN=C(C#N)c2nc3ccccc3s2)c(C)c1	ZINC000016284799	182038997	/nfs/dbraw/zinc/03/89/97/182038997.db2.gz	XQBXEZNHBRDILZ-RCCKNPSSSA-N	0	0	306.394	4.253	40	30		DIEBRN
O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)c2ccccc21	ZINC000016756583	182060271	/nfs/dbraw/zinc/06/02/71/182060271.db2.gz	OXDKYHXPKRHDKI-PXLXIMEGSA-N	0	0	316.282	4.274	40	30		DIEBRN
COC(=O)c1cc(C)ccc1/C=C1/Cc2c(cc(C)cc2C)C1=O	ZINC000016958827	182066457	/nfs/dbraw/zinc/06/64/57/182066457.db2.gz	GZXJWIVWNUYCDG-YBEGLDIGSA-N	0	0	320.388	4.221	40	30		DIEBRN
Oc1ccccc1/C=N\Sc1ccc(Br)cc1	ZINC000017021631	182068328	/nfs/dbraw/zinc/06/83/28/182068328.db2.gz	FSKOMUFCKGIWOS-DHDCSXOGSA-N	0	0	308.200	4.281	40	30		DIEBRN
N#Cc1c(=O)[nH]c(=S)[nH]c1-c1cccc(Oc2ccccc2)c1	ZINC000017055695	182073486	/nfs/dbraw/zinc/07/34/86/182073486.db2.gz	ORTSPKVAXWADID-UHFFFAOYSA-N	0	0	321.361	4.176	40	30		DIEBRN
CS/C(=N\C#N)SCSc1nc2ccccc2s1	ZINC000017117772	182075934	/nfs/dbraw/zinc/07/59/34/182075934.db2.gz	OTWXBTPLDVHTLZ-JLHYYAGUSA-N	0	0	311.482	4.279	40	30		DIEBRN
Oc1ccc(Cl)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000017299422	182081772	/nfs/dbraw/zinc/08/17/72/182081772.db2.gz	KFZHXJWTUXWXRM-PXNMLYILSA-N	0	0	303.774	4.101	40	30		DIEBRN
CCN(CC)c1ccc(/N=C2/C=CC(=O)c3ccccc32)cc1	ZINC000018006541	182089693	/nfs/dbraw/zinc/08/96/93/182089693.db2.gz	GFZAEDHEVXNEEA-VZCXRCSSSA-N	0	0	304.393	4.406	40	30		DIEBRN
O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1cccs1	ZINC000018055888	182091336	/nfs/dbraw/zinc/09/13/36/182091336.db2.gz	QMQLANJWGGAENP-XYOKQWHBSA-N	0	0	320.826	4.293	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2cc3cccc(OC)c3o2)c1	ZINC000019887894	182160892	/nfs/dbraw/zinc/16/08/92/182160892.db2.gz	URYOFLQMGNCKPW-UHFFFAOYSA-N	0	0	323.348	4.259	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1sccc1C	ZINC000020672535	182242154	/nfs/dbraw/zinc/24/21/54/182242154.db2.gz	GBZWMWCSOPBCMK-MRXNPFEDSA-N	0	0	323.421	4.284	40	30		DIEBRN
N#Cc1ccc(Br)cc1NCc1cc(F)cc(F)c1	ZINC000039956517	183024360	/nfs/dbraw/zinc/02/43/60/183024360.db2.gz	BFAVHEBOPLDYTN-UHFFFAOYSA-N	0	0	323.140	4.211	40	30		DIEBRN
CCCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1	ZINC000044136994	183396648	/nfs/dbraw/zinc/39/66/48/183396648.db2.gz	HEFCYPVDRJVTRA-UHFFFAOYSA-N	0	0	301.292	4.008	40	30		DIEBRN
CCCC(C1C(=O)CC(C)CC1=O)C1C(=O)CC(C)CC1=O	ZINC000104262094	256578874	/nfs/dbraw/zinc/57/88/74/256578874.db2.gz	MFZJEKFZJKTTSN-FOSCPWQOSA-N	0	0	306.402	4.025	40	30		DIEBRN
COc1ccc2[nH]c(S[C@@H]3CCCCCC/C3=N/O)nc2c1	ZINC000100965064	256566978	/nfs/dbraw/zinc/56/69/78/256566978.db2.gz	IZWHIWYRCACJSN-JPVKTXQWSA-N	0	0	319.430	4.217	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1c(C)cccc1C	ZINC000105453488	256580902	/nfs/dbraw/zinc/58/09/02/256580902.db2.gz	MMMUKQCGBAASHQ-UHFFFAOYSA-N	0	0	318.461	4.109	40	30		DIEBRN
C#CCn1c(C)c(/C=C2\Cc3ccccc3C2=O)c2ccccc21	ZINC000409370576	257219991	/nfs/dbraw/zinc/21/99/91/257219991.db2.gz	BCIQSGKKCSEZLF-SAPNQHFASA-N	0	0	311.384	4.405	40	30		DIEBRN
COc1ccccc1/N=C/c1ccc(N2CCCCC2)cc1OC	ZINC000409243890	257220139	/nfs/dbraw/zinc/22/01/39/257220139.db2.gz	YPDPQNIEOUCQEW-RCCKNPSSSA-N	0	0	324.424	4.445	40	30		DIEBRN
Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1	ZINC000409234189	257220720	/nfs/dbraw/zinc/22/07/20/257220720.db2.gz	NBUQBXRBDJWHNM-NDENLUEZSA-N	0	0	320.352	4.148	40	30		DIEBRN
CC(C)/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1C(C)C	ZINC000409210805	257220844	/nfs/dbraw/zinc/22/08/44/257220844.db2.gz	KZQHNYUFRDHYPE-WZMAMLOKSA-N	0	0	322.861	4.429	40	30		DIEBRN
C#CCOc1c(Cl)cc(CNc2ccccc2C)cc1OC	ZINC000409115506	257222112	/nfs/dbraw/zinc/22/21/12/257222112.db2.gz	RXBFPVLRQPSWNF-UHFFFAOYSA-N	0	0	315.800	4.281	40	30		DIEBRN
C=CCc1cc(CO)cc(OC)c1OCc1cccc(Cl)c1	ZINC000409112982	257222391	/nfs/dbraw/zinc/22/23/91/257222391.db2.gz	CZOWLQIRNBFDNZ-UHFFFAOYSA-N	0	0	318.800	4.148	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)cc2)C1=O	ZINC000409104529	257222839	/nfs/dbraw/zinc/22/28/39/257222839.db2.gz	JLHIEMAPOQCCPF-PKVLTRFUSA-N	0	0	317.410	4.086	40	30		DIEBRN
Cc1ccc(Cl)cc1/N=C/c1ccc(N2CCOCC2)cc1	ZINC000409106345	257223005	/nfs/dbraw/zinc/22/30/05/257223005.db2.gz	RKGDVJKINLPRED-DEDYPNTBSA-N	0	0	314.816	4.236	40	30		DIEBRN
COc1cc2c(cc1/C=N/c1ccc(C(C)(C)C)cc1)OCO2	ZINC000409106009	257223047	/nfs/dbraw/zinc/22/30/47/257223047.db2.gz	KJZDVVXKRDUCEC-RGVLZGJSSA-N	0	0	311.381	4.472	40	30		DIEBRN
O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)cc2O)ccc1Cl	ZINC000409071755	257223588	/nfs/dbraw/zinc/22/35/88/257223588.db2.gz	LELKNQAFYFVMNU-APSNUPSMSA-N	0	0	311.124	4.358	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N/c1ccc(NC(C)=O)cc1	ZINC000409094598	257223686	/nfs/dbraw/zinc/22/36/86/257223686.db2.gz	DMRYRZBQWNUKSD-YBFXNURJSA-N	0	0	316.788	4.448	40	30		DIEBRN
COc1cc2c(cc1/C=N/c1ccc(Cl)c(Cl)c1)OCO2	ZINC000409067672	257223710	/nfs/dbraw/zinc/22/37/10/257223710.db2.gz	PFTMSSFXVMMPJX-CNHKJKLMSA-N	0	0	324.163	4.481	40	30		DIEBRN
O=[N+]([O-])c1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)cc1	ZINC000409074445	257223727	/nfs/dbraw/zinc/22/37/27/257223727.db2.gz	LRRWYMJCRHMZAO-UNOMPAQXSA-N	0	0	313.332	4.085	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N\c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408951070	257225114	/nfs/dbraw/zinc/22/51/14/257225114.db2.gz	HTKHFZNJDVIDDU-UYRXBGFRSA-N	0	0	321.336	4.145	40	30		DIEBRN
CC1=NOC(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)cc1	ZINC000408940015	257225237	/nfs/dbraw/zinc/22/52/37/257225237.db2.gz	NJYAAXMSDXQTDR-YBFXNURJSA-N	0	0	321.376	4.199	40	30		DIEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1	ZINC000408959622	257225274	/nfs/dbraw/zinc/22/52/74/257225274.db2.gz	CDCZGSYDNZEXAA-KGENOOAVSA-N	0	0	322.408	4.132	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N\c2ccc(N(C)C)cc2)cc1	ZINC000408853857	257225937	/nfs/dbraw/zinc/22/59/37/257225937.db2.gz	YMLRHEHAQSVKJR-QNGOZBTKSA-N	0	0	319.408	4.303	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N\OCc2ccccc2)cc1	ZINC000408851312	257226152	/nfs/dbraw/zinc/22/61/52/257226152.db2.gz	BFVTYMYKFWNBQV-ZHZULCJRSA-N	0	0	306.365	4.037	40	30		DIEBRN
COC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1	ZINC000408852501	257226185	/nfs/dbraw/zinc/22/61/85/257226185.db2.gz	GPEVNZVOTCHRHC-XSFVSMFZSA-N	0	0	304.349	4.015	40	30		DIEBRN
COC(=O)c1ccccc1/N=C\c1cccn1-c1ccccc1	ZINC000408850512	257226262	/nfs/dbraw/zinc/22/62/62/257226262.db2.gz	BEWFMNJYSFTZGM-ZHZULCJRSA-N	0	0	304.349	4.015	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)cc1C	ZINC000408739403	257227178	/nfs/dbraw/zinc/22/71/78/257227178.db2.gz	BMPLAIKBMHAWHW-XNHPLOEXSA-N	0	0	305.381	4.045	40	30		DIEBRN
COc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cn1	ZINC000408738320	257227187	/nfs/dbraw/zinc/22/71/87/257227187.db2.gz	UWAOTEDKGKFINN-UDWIEESQSA-N	0	0	305.381	4.248	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2ccccc2OCC)ccc1OC	ZINC000408705799	257228522	/nfs/dbraw/zinc/22/85/22/257228522.db2.gz	NRAAPKUPBQQMLY-UHFFFAOYSA-N	0	0	311.381	4.075	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC	ZINC000408703091	257228574	/nfs/dbraw/zinc/22/85/74/257228574.db2.gz	MVBXAFBOBBSNEO-UHFFFAOYSA-N	0	0	313.422	4.398	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1	ZINC000408700487	257228597	/nfs/dbraw/zinc/22/85/97/257228597.db2.gz	GUBGJDRNPJXKGB-UHFFFAOYSA-N	0	0	323.348	4.259	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc(OC)c(CC=C)c2)c1	ZINC000408705535	257228815	/nfs/dbraw/zinc/22/88/15/257228815.db2.gz	ICRDPDHYEGVPFF-UHFFFAOYSA-N	0	0	323.392	4.241	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1cccn1-c1ccccc1F	ZINC000408595769	257229212	/nfs/dbraw/zinc/22/92/12/257229212.db2.gz	NXKCLQUTZGVZOF-LPYMAVHISA-N	0	0	319.339	4.039	40	30		DIEBRN
CCC(C)(C)[C@@H]1CCC(=O)C(=CNCc2ccc(OC)cc2)C1	ZINC000408563618	257229575	/nfs/dbraw/zinc/22/95/75/257229575.db2.gz	QJQVMTSCEGEJIE-FYPAKXHLSA-N	0	0	315.457	4.474	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)ccc1OC	ZINC000216477753	257230753	/nfs/dbraw/zinc/23/07/53/257230753.db2.gz	JKBDIXSHXPNQAH-HNNXBMFYSA-N	0	0	309.409	4.223	40	30		DIEBRN
CCCC/N=C1\S/C(=C/c2ccco2)C(=O)N1CCCC	ZINC000005552204	257231507	/nfs/dbraw/zinc/23/15/07/257231507.db2.gz	BBWJGGGYHAYHNA-JVCJPLAKSA-N	0	0	306.431	4.152	40	30		DIEBRN
COc1ccc(/N=C/c2cc(Br)ccc2OC)cc1	ZINC000100366443	257272810	/nfs/dbraw/zinc/27/28/10/257272810.db2.gz	QJEJMOQJRJYUGT-LICLKQGHSA-N	0	0	320.186	4.217	40	30		DIEBRN
Cc1cccc2c1NC(=O)C2=NN=c1[nH]c2ccccc2s1	ZINC000006672892	431318523	/nfs/dbraw/zinc/31/85/23/431318523.db2.gz	VPBNCTNJVGXCOI-UHFFFAOYSA-N	0	0	308.366	4.023	40	30		DIEBRN
N#CCCN(C(=O)Nc1ccc(Cl)cc1)C1CCCCC1	ZINC000016428296	331567031	/nfs/dbraw/zinc/56/70/31/331567031.db2.gz	HNLXUVPWNOTNST-UHFFFAOYSA-N	0	0	305.809	4.420	40	30		DIEBRN
N#Cc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000071761878	331922801	/nfs/dbraw/zinc/92/28/01/331922801.db2.gz	ZROQZBODHJKRLX-UHFFFAOYSA-N	0	0	321.327	4.386	40	30		DIEBRN
COc1ccccc1CNN=C(C)c1cccc2ccccc21	ZINC000020762328	333385413	/nfs/dbraw/zinc/38/54/13/333385413.db2.gz	AOESJEHPPLADSH-PXLXIMEGSA-N	0	0	304.393	4.362	40	30		DIEBRN
CCc1cnccc1[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000329186855	335949597	/nfs/dbraw/zinc/94/95/97/335949597.db2.gz	QQOWVWFSBWKEJJ-QSPRXWTASA-N	0	0	315.461	4.177	40	30		DIEBRN
CC1=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O	ZINC000334163697	337111299	/nfs/dbraw/zinc/11/12/99/337111299.db2.gz	GYBGISLVORKLBN-HOSJZOFRSA-N	0	0	302.458	4.125	40	30		DIEBRN
CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000004706033	518219577	/nfs/dbraw/zinc/21/95/77/518219577.db2.gz	CQNNLXQECGKHEH-DAUOMPHXSA-N	0	0	300.442	4.333	40	30		DIEBRN
C(=N\N=C/c1cccc(OCc2ccccc2)c1)\c1ccco1	ZINC000016919227	518380896	/nfs/dbraw/zinc/38/08/96/518380896.db2.gz	YIPQYFLXLFBPBC-NMGXZBPKSA-N	0	0	304.349	4.312	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)NCc2ccccc2Cl)c1	ZINC000008570632	518619201	/nfs/dbraw/zinc/61/92/01/518619201.db2.gz	DGJKUDQPGJTNGX-UHFFFAOYSA-N	0	0	315.800	4.225	40	30		DIEBRN
CCCCCC(C=NNc1nc(C)cc(=O)[nH]1)=Cc1ccccc1	ZINC000031667491	519921125	/nfs/dbraw/zinc/92/11/25/519921125.db2.gz	PJLHLMWDNLVTGO-FOQYTUSPSA-N	0	0	324.428	4.140	40	30		DIEBRN
CCCCCCCCCCCc1noc2c1C(=O)[C@@H](O)CC2	ZINC000073369107	520018208	/nfs/dbraw/zinc/01/82/08/520018208.db2.gz	HETUFXIBHGGXFY-HNNXBMFYSA-N	0	0	307.434	4.238	40	30		DIEBRN
CCCCCCCCCCSc1ncnc2c1ncn2CO	ZINC000001657387	520024076	/nfs/dbraw/zinc/02/40/76/520024076.db2.gz	SMVQEUVHAWCDDL-UHFFFAOYSA-N	0	0	322.478	4.009	40	30		DIEBRN
CCCCCCCC[S@@](=O)[C@@H](C)Cc1ccc2c(c1)OCO2	ZINC000040454312	520047682	/nfs/dbraw/zinc/04/76/82/520047682.db2.gz	ATTZFSUZZUNHBP-NYHFZMIOSA-N	0	0	324.486	4.456	40	30	in-vitro	DIEBRN
CCN(CC)c1ccc(/N=C(/C(C)=O)C(=O)c2ccccc2)cc1	ZINC000016678492	520884310	/nfs/dbraw/zinc/88/43/10/520884310.db2.gz	HRWCSIFMSFJYOF-VZCXRCSSSA-N	0	0	322.408	4.077	40	30		DIEBRN
N#CCc1ccc(NC(=O)CCSCc2ccccc2)cc1	ZINC000013687968	526483144	/nfs/dbraw/zinc/48/31/44/526483144.db2.gz	MUJLVTZHDJCEGU-UHFFFAOYSA-N	0	0	310.422	4.015	40	30		DIEBRN
FC(F)(F)c1cccc(C=NN=c2[nH]c3ccccc3o2)c1	ZINC000031939379	527684890	/nfs/dbraw/zinc/68/48/90/527684890.db2.gz	HSTJLXPEVRUMNA-OCKHKDLRSA-N	0	0	305.259	4.293	40	30		DIEBRN
CC(=O)c1ccc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000100032655	563545030	/nfs/dbraw/zinc/54/50/30/563545030.db2.gz	ADFMVRAADGMSMP-RQZCQDPDSA-N	0	0	302.717	4.201	40	30		DIEBRN
CCCCCCCCOC(=O)C(=O)Nc1ccc(Cl)cc1	ZINC000100959751	563554737	/nfs/dbraw/zinc/55/47/37/563554737.db2.gz	KDIIPXUGDBHBPG-UHFFFAOYSA-N	0	0	311.809	4.182	40	30		DIEBRN
Cc1ccc(C)c2c1CC/C(=C/c1ccccc1[N+](=O)[O-])C2=O	ZINC000001744687	563294481	/nfs/dbraw/zinc/29/44/81/563294481.db2.gz	NVJOSODXVCETMD-PTNGSMBKSA-N	0	0	307.349	4.424	40	30		DIEBRN
N#CCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1	ZINC000005280807	563329491	/nfs/dbraw/zinc/32/94/91/563329491.db2.gz	MWICKFOMSAXLHM-UHFFFAOYSA-N	0	0	316.813	4.137	40	30		DIEBRN
Fc1ccc2c(c1)C(=NNc1nncc3ccccc31)CCS2	ZINC000007737290	563342169	/nfs/dbraw/zinc/34/21/69/563342169.db2.gz	RUDZIQNZQDLXKA-HMMYKYKNSA-N	0	0	324.384	4.081	40	30		DIEBRN
Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3)S2)cc1C	ZINC000035644131	563348768	/nfs/dbraw/zinc/34/87/68/563348768.db2.gz	ZRLLKNNUGHCVFY-LFIBNONCSA-N	0	0	308.406	4.195	40	30		DIEBRN
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C/C(=N/O)CC[C@]34C)[C@@H]1CC[C@@H]2O	ZINC000013408807	563381534	/nfs/dbraw/zinc/38/15/34/563381534.db2.gz	VHLNMRCAXRWHOK-AWMPOAAZSA-N	0	0	305.462	4.220	40	30		DIEBRN
O=C1C=Cc2ccccc2C1=NNc1cccc(C(F)(F)F)c1	ZINC000100408099	563410860	/nfs/dbraw/zinc/41/08/60/563410860.db2.gz	NWLSLAUVYKCYFS-JWGURIENSA-N	0	0	316.282	4.118	40	30		DIEBRN
N#C[C@@H](c1c(Cl)cccc1N1CCCCC1)N1CCCCC1	ZINC000020413020	563417010	/nfs/dbraw/zinc/41/70/10/563417010.db2.gz	XLMFZWYBRJSRPJ-KRWDZBQOSA-N	0	0	317.864	4.381	40	30		DIEBRN
CCc1ccc(/N=C2/SCC(=O)N2C2CCCCC2)cc1	ZINC000032114531	563442026	/nfs/dbraw/zinc/44/20/26/563442026.db2.gz	AOLXHADQRIKHFD-ISLYRVAYSA-N	0	0	302.443	4.145	40	30		DIEBRN
CCCCCCCC[S@](=O)[C@H](C)Cc1ccc2c(c1)OCO2	ZINC000043064898	563461838	/nfs/dbraw/zinc/46/18/38/563461838.db2.gz	ATTZFSUZZUNHBP-IVZQSRNASA-N	0	0	324.486	4.456	40	30	in-vitro	DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/O	ZINC000118917713	563525759	/nfs/dbraw/zinc/52/57/59/563525759.db2.gz	CWINRPKWTQFSKW-DVWSFBLHSA-N	0	0	305.462	4.220	40	30		DIEBRN
O=C1c2ccccc2C(=O)C1=CNc1cccc(C(F)(F)F)c1	ZINC000100407591	563527737	/nfs/dbraw/zinc/52/77/37/563527737.db2.gz	JTXNVGMGDGKPRH-NKVSQWTQSA-N	0	0	317.266	4.103	40	30		DIEBRN
COc1ccc(/C=N/CCCC/N=C/c2ccc(OC)cc2)cc1	ZINC000100406819	563550451	/nfs/dbraw/zinc/55/04/51/563550451.db2.gz	UOLGXDNOQHHLBL-YHARCJFQSA-N	0	0	324.424	4.022	40	30		DIEBRN
COc1ccc(/C=N/c2c(O)ccc3c2CCCC3)cc1OC	ZINC000100398801	563550599	/nfs/dbraw/zinc/55/05/99/563550599.db2.gz	XLHFBYNNKLZCKK-UDWIEESQSA-N	0	0	311.381	4.039	40	30		DIEBRN
C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C(C)=C/C)C2(C)C)CC1=O	ZINC000109066187	563568631	/nfs/dbraw/zinc/56/86/31/563568631.db2.gz	SNDVMQGQCDITNS-WQVDKVTCSA-N	0	0	302.414	4.002	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@]5(CO5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000118936499	563594021	/nfs/dbraw/zinc/59/40/21/563594021.db2.gz	YCSDPVROPBHVSJ-ZAPBJXTKSA-N	0	0	304.474	4.159	40	30		DIEBRN
C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118933757	563594057	/nfs/dbraw/zinc/59/40/57/563594057.db2.gz	RSPVYDFKEFBSTK-ZKJHRSCYSA-N	0	0	320.448	4.217	40	30		DIEBRN
COc1ccc([C@@H](CC#N)[C@@H](C#N)c2cccc(F)c2)cc1OC	ZINC000000133261	563605386	/nfs/dbraw/zinc/60/53/86/563605386.db2.gz	CKRWLHFLYBSRAA-SJORKVTESA-N	0	0	324.355	4.148	40	30		DIEBRN
O=[N+]([O-])c1ccc(/C=N/c2ccccc2Br)cc1	ZINC000000361902	563608171	/nfs/dbraw/zinc/60/81/71/563608171.db2.gz	RTHMMDXKBZGVAJ-OQLLNIDSSA-N	0	0	305.131	4.108	40	30		DIEBRN
N#Cc1cc(N)c(Oc2ccccc2)n1Cc1ccc(Cl)cc1	ZINC000225878892	563617959	/nfs/dbraw/zinc/61/79/59/563617959.db2.gz	NIBJARMXRZTCET-UHFFFAOYSA-N	0	0	323.783	4.436	40	30		DIEBRN
Cc1ccccc1-c1nnc(SCc2cccc(C#N)c2)o1	ZINC000005434826	563621593	/nfs/dbraw/zinc/62/15/93/563621593.db2.gz	UZBVGYOXSWYRLB-UHFFFAOYSA-N	0	0	307.378	4.209	40	30		DIEBRN
Cc1[nH]c2ccccc2c1/C=N/c1nnc(C(F)(F)F)s1	ZINC000006417872	563637781	/nfs/dbraw/zinc/63/77/81/563637781.db2.gz	XMKYXIUHEUCRTM-UBKPWBPPSA-N	0	0	310.304	4.097	40	30		DIEBRN
CCn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21	ZINC000008811533	563638354	/nfs/dbraw/zinc/63/83/54/563638354.db2.gz	HZIIWZGYVFFLIU-CIAFOILYSA-N	0	0	311.816	4.438	40	30		DIEBRN
C=CC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1	ZINC000007523770	563640471	/nfs/dbraw/zinc/64/04/71/563640471.db2.gz	LBNHPWDWRNIZSH-UHFFFAOYSA-N	0	0	303.427	4.001	40	30		DIEBRN
O=C1C=C(N=c2[nH]c3ccccc3[nH]2)C[C@H](c2cccs2)C1	ZINC000008018530	563641821	/nfs/dbraw/zinc/64/18/21/563641821.db2.gz	AFPCLVQGYNKPOE-NSHDSACASA-N	0	0	309.394	4.067	40	30		DIEBRN
ClC(=CN=Nc1nncc2ccccc21)Cc1ccccc1	ZINC000097991664	563645366	/nfs/dbraw/zinc/64/53/66/563645366.db2.gz	ABAOZLQICKICFL-FRWVWPQNSA-N	0	0	308.772	4.307	40	30		DIEBRN
Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccccc2)c1	ZINC000225885168	563648439	/nfs/dbraw/zinc/64/84/39/563648439.db2.gz	NOJPUAORQDQBPS-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
CCOc1ccc(Cl)cc1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000014134276	563665389	/nfs/dbraw/zinc/66/53/89/563665389.db2.gz	AHGKLROEPQCYNR-VCHYOVAHSA-N	0	0	314.776	4.061	40	30		DIEBRN
N#Cc1c(N)nc(SCc2ccccc2)nc1C1CCCCC1	ZINC000225894983	563668355	/nfs/dbraw/zinc/66/83/55/563668355.db2.gz	XMLLDWQAYWGKHM-UHFFFAOYSA-N	0	0	324.453	4.270	40	30		DIEBRN
C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1	ZINC000059426409	563676043	/nfs/dbraw/zinc/67/60/43/563676043.db2.gz	NHAPRJCKKDCRKI-WBZXNMJOSA-N	0	0	310.378	4.070	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927642	563676383	/nfs/dbraw/zinc/67/63/83/563676383.db2.gz	OGEYIYINQNEDRP-URNIPBEBSA-N	0	0	316.485	4.227	40	30		DIEBRN
Cc1ccc(NC(=S)Nc2ccccc2Cl)cc1C#N	ZINC000000049043	563708498	/nfs/dbraw/zinc/70/84/98/563708498.db2.gz	NCFJBDPUCSLWOX-UHFFFAOYSA-N	0	0	301.802	4.329	40	30		DIEBRN
CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(CC#N)cc2)cc1	ZINC000222877351	563729418	/nfs/dbraw/zinc/72/94/18/563729418.db2.gz	IUTMPHBFKLPXDJ-LJQANCHMSA-N	0	0	322.408	4.111	40	30		DIEBRN
CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(CC#N)cc1	ZINC000222980534	563730013	/nfs/dbraw/zinc/73/00/13/563730013.db2.gz	SOEXXDLNJFLPPK-IBGZPJMESA-N	0	0	322.408	4.166	40	30		DIEBRN
CCCCCc1c(N)cc(C#N)n1CCOc1ccccc1C	ZINC000225862104	563765187	/nfs/dbraw/zinc/76/51/87/563765187.db2.gz	ATPNUJAFZPRGFB-UHFFFAOYSA-N	0	0	311.429	4.062	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)cc1	ZINC000225880797	563765834	/nfs/dbraw/zinc/76/58/34/563765834.db2.gz	YGIDXAFMHSKJKN-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
CCC[C@H]1N=C(SC)N(c2ccccc2)C(C)=C1C(C)=O	ZINC000033624558	563769970	/nfs/dbraw/zinc/76/99/70/563769970.db2.gz	JTQNJKZOUGBJBW-OAHLLOKOSA-N	0	0	302.443	4.257	40	30		DIEBRN
COc1ccc2c(c1)CCc1sc(/N=C/c3cccnc3)nc1-2	ZINC000059459308	563770875	/nfs/dbraw/zinc/77/08/75/563770875.db2.gz	IVSZELSMASYKER-RGVLZGJSSA-N	0	0	321.405	4.063	40	30		DIEBRN
COC(=O)c1cccc(/N=C/c2cccn2-c2ccccc2)c1C	ZINC000059302130	563771498	/nfs/dbraw/zinc/77/14/98/563771498.db2.gz	IMDRPQHMFWXMFW-KGENOOAVSA-N	0	0	318.376	4.323	40	30		DIEBRN
CCC(=CC(=O)c1ccc(OC)cc1)Nc1ccccc1OC	ZINC000059489060	563771573	/nfs/dbraw/zinc/77/15/73/563771573.db2.gz	AGRTXHIKOVCITL-FYWRMAATSA-N	0	0	311.381	4.293	40	30		DIEBRN
NC(=O)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCC2	ZINC000059366361	563771626	/nfs/dbraw/zinc/77/16/26/563771626.db2.gz	LVLCAINYJGVPQH-DJKKODMXSA-N	0	0	318.829	4.130	40	30		DIEBRN
O=C(/C=C/c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1	ZINC000007718081	563822485	/nfs/dbraw/zinc/82/24/85/563822485.db2.gz	MHUCJKXSNDJVNM-CMDGGOBGSA-N	0	0	305.692	4.283	40	30		DIEBRN
C=CCc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC	ZINC000013613450	563839273	/nfs/dbraw/zinc/83/92/73/563839273.db2.gz	ZWDXCRBMLVKLMK-AWEZNQCLSA-N	0	0	307.393	4.015	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1	ZINC000216890687	563857096	/nfs/dbraw/zinc/85/70/96/563857096.db2.gz	RELYYURTZAOWCT-ZRDIBKRKSA-N	0	0	324.376	4.017	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1	ZINC000216887202	563857212	/nfs/dbraw/zinc/85/72/12/563857212.db2.gz	UXMREAXXYYVSTJ-JLHYYAGUSA-N	0	0	308.377	4.316	40	30		DIEBRN
C=CCOC(=O)c1cc2nc(-c3ccccc3)[nH]c2c(Cl)c1	ZINC000216920808	563858814	/nfs/dbraw/zinc/85/88/14/563858814.db2.gz	UHCYVAWVTTYLTJ-UHFFFAOYSA-N	0	0	312.756	4.226	40	30		DIEBRN
CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc(C#N)ccc1-2	ZINC000001699679	563866120	/nfs/dbraw/zinc/86/61/20/563866120.db2.gz	BKFJQUQECLJTPW-UHFFFAOYSA-N	0	0	317.175	4.395	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)NCCCc2ccc(C)cc2)c1	ZINC000219787099	563868937	/nfs/dbraw/zinc/86/89/37/563868937.db2.gz	ZEHSYWGDZIQXQQ-UHFFFAOYSA-N	0	0	323.436	4.313	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1	ZINC000219643294	563869110	/nfs/dbraw/zinc/86/91/10/563869110.db2.gz	LAPSMUIFDVVORI-MRXNPFEDSA-N	0	0	309.409	4.359	40	30		DIEBRN
C=CCSc1ccccc1C(=O)NCc1ccc(F)cc1	ZINC000219814600	563869396	/nfs/dbraw/zinc/86/93/96/563869396.db2.gz	XKGBWKOLSYXDBD-UHFFFAOYSA-N	0	0	301.386	4.034	40	30		DIEBRN
CC(C)=C[C@H](O)C=C(C)CC(=O)C[C@@](C)(O)[C@@H]1CC=C(C)CC1	ZINC000252516729	563916742	/nfs/dbraw/zinc/91/67/42/563916742.db2.gz	WEUVHVLQXALSSL-LVJVZITISA-N	0	0	320.473	4.107	40	30	biogenic,in-vitro	DIEBRN
C#CCOc1ccc(Br)cc1/C=N/c1ccccc1	ZINC000006295400	563921317	/nfs/dbraw/zinc/92/13/17/563921317.db2.gz	CGBWAJATBUQWSL-LDADJPATSA-N	0	0	314.182	4.212	40	30		DIEBRN
COc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1	ZINC000010118995	563922602	/nfs/dbraw/zinc/92/26/02/563922602.db2.gz	UUKFLGVIAFMWIK-VXLYETTFSA-N	0	0	309.196	4.126	40	30		DIEBRN
COc1ccccc1/N=C/c1cc(F)c(N2CCCC2)cc1C	ZINC000107561031	563924582	/nfs/dbraw/zinc/92/45/82/563924582.db2.gz	SJLKLHDLJKGICT-FYJGNVAPSA-N	0	0	312.388	4.494	40	30		DIEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1	ZINC000141985971	563924587	/nfs/dbraw/zinc/92/45/87/563924587.db2.gz	RCDTURBCSJPVSF-RCCKNPSSSA-N	0	0	322.408	4.214	40	30		DIEBRN
CC(C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1	ZINC000197712135	563924713	/nfs/dbraw/zinc/92/47/13/563924713.db2.gz	RHYIWLZAGZPSRY-RCCKNPSSSA-N	0	0	308.425	4.397	40	30		DIEBRN
N#Cc1cc(Oc2cccc3ccccc32)c([N+](=O)[O-])cc1C#N	ZINC000000572076	563927144	/nfs/dbraw/zinc/92/71/44/563927144.db2.gz	WQFKMSNYUJZLTC-UHFFFAOYSA-N	0	0	315.288	4.284	40	30		DIEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccc(F)cc2)c1	ZINC000225855255	563939007	/nfs/dbraw/zinc/93/90/07/563939007.db2.gz	OTHJCVPHIBOUOL-UHFFFAOYSA-N	0	0	319.383	4.029	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2)cc1	ZINC000225880580	563939196	/nfs/dbraw/zinc/93/91/96/563939196.db2.gz	QRQGPHNIYCMWTH-UHFFFAOYSA-N	0	0	303.365	4.091	40	30		DIEBRN
Cc1[nH]c2ccccc2c1-c1c(C#N)c(N)ncc1-c1ccccc1	ZINC000408981233	563960570	/nfs/dbraw/zinc/96/05/70/563960570.db2.gz	VKXQKJQWAVLJTJ-UHFFFAOYSA-N	0	0	324.387	4.659	40	30		DIEBRN
N#C[C@@H]1CCC[C@@](CCc2ccccc2)(c2ccccc2)C1=O	ZINC000001564928	568412187	/nfs/dbraw/zinc/41/21/87/568412187.db2.gz	CQZPUJPZJWTUIE-GHTZIAJQSA-N	0	0	303.405	4.450	40	30		DIEBRN
Cc1nn(CCC#N)c2nc3cc(Cl)ccc3c(Cl)c12	ZINC000255190122	568417054	/nfs/dbraw/zinc/41/70/54/568417054.db2.gz	VCRJFUKBYGKLOW-UHFFFAOYSA-N	0	0	305.168	4.113	40	30		DIEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000011825619	568417767	/nfs/dbraw/zinc/41/77/67/568417767.db2.gz	NJZZQTPKDPTVFJ-GRSHGNNSSA-N	0	0	319.788	4.434	40	30		DIEBRN
O=C(/C=C1\C(=O)Nc2ccc(Cl)cc21)c1ccc(Cl)cc1	ZINC000013999923	1041503490	/nfs/dbraw/zinc/50/34/90/1041503490.db2.gz	VHPATCMOAFXKTC-JYRVWZFOSA-N	0	0	318.159	4.212	40	30		DIEBRN
C=CCNC(=S)Nc1ccc(CSc2ccccc2)cc1	ZINC000225276798	1044418283	/nfs/dbraw/zinc/41/82/83/1044418283.db2.gz	DGTXKTZKBKFHJA-UHFFFAOYSA-N	0	0	314.479	4.451	40	30		DIEBRN
COc1cc([N+](=O)[O-])ccc1N=Cc1c(O)ccc2ccccc21	ZINC000254385541	1053417170	/nfs/dbraw/zinc/41/71/70/1053417170.db2.gz	YJPXXEVMOCJNRH-UHFFFAOYSA-N	0	0	322.320	4.213	40	30		DIEBRN
O=C(ON=C(Cc1ccccc1)c1ccccc1)c1ccccc1	ZINC000004273499	1056020263	/nfs/dbraw/zinc/02/02/63/1056020263.db2.gz	DZPXNVNSHUXZGC-UHFFFAOYSA-N	0	0	315.372	4.490	40	30		DIEBRN
Cc1ccc(Nc2oc(C=NNc3ccccc3)nc2C#N)cc1	ZINC000005896346	1056058345	/nfs/dbraw/zinc/05/83/45/1056058345.db2.gz	LHGVUCGAKIDUIQ-UDWIEESQSA-N	0	0	317.352	4.044	40	30		DIEBRN
c1coc(CN=Nc2nc3ccccc3nc2-c2ccccc2)c1	ZINC000006582454	1056060064	/nfs/dbraw/zinc/06/00/64/1056060064.db2.gz	RKSHBQZNSVFWIQ-DEDYPNTBSA-N	0	0	314.348	4.336	40	30		DIEBRN
C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C#N)cc1	ZINC000014738630	1056468394	/nfs/dbraw/zinc/46/83/94/1056468394.db2.gz	APNBKXOQEZBGAI-AWEZNQCLSA-N	0	0	316.360	4.117	40	30		DIEBRN
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC#N)c1ccc(Cl)cc1	ZINC000598846856	1057589222	/nfs/dbraw/zinc/58/92/22/1057589222.db2.gz	WBACYCKGPARPLK-ZWKOTPCHSA-N	0	0	324.811	4.309	40	30		DIEBRN
C=CC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	ZINC000095681917	185383271	/nfs/dbraw/zinc/38/32/71/185383271.db2.gz	COZOZCOENNNSGO-UHFFFAOYSA-N	0	0	308.090	4.276	40	30		DIEBRN
N#CCCCCCOc1cc(F)c(Br)cc1F	ZINC000095734214	185383696	/nfs/dbraw/zinc/38/36/96/185383696.db2.gz	IPLCOFBHPKLUQI-UHFFFAOYSA-N	0	0	304.134	4.190	40	30		DIEBRN
CCOc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Cl	ZINC000030830651	190657050	/nfs/dbraw/zinc/65/70/50/190657050.db2.gz	BLLAOUBHZNBCNH-UHFFFAOYSA-N	0	0	314.772	4.057	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccc(C)cc2)cc1	ZINC000225880645	201758821	/nfs/dbraw/zinc/75/88/21/201758821.db2.gz	OOHSCCUOOXXGCL-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
COc1ccc(Nc2nc3ccc(C)cc3cc2C#N)c(OC)c1	ZINC000004125386	181076574	/nfs/dbraw/zinc/07/65/74/181076574.db2.gz	IGWNLPUDHDIQLV-UHFFFAOYSA-N	0	0	319.364	4.176	40	30		DIEBRN
O=C(C=CNCc1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000004262711	181089340	/nfs/dbraw/zinc/08/93/40/181089340.db2.gz	HEQDGXJTCVUNCU-KHPPLWFESA-N	0	0	305.299	4.192	40	30		DIEBRN
CC1(C)[C@H]2CC[C@]1(C)C(=O)C(Br)=C2Br	ZINC000004266981	181090158	/nfs/dbraw/zinc/09/01/58/181090158.db2.gz	RISAXLJIPFJKRX-UPONEAKYSA-N	0	0	322.040	4.013	40	30		DIEBRN
O=C(C=CNc1ccc(Br)cc1)c1ccccc1	ZINC000004701503	181138906	/nfs/dbraw/zinc/13/89/06/181138906.db2.gz	DINWXOROCPBAQA-KHPPLWFESA-N	0	0	302.171	4.258	40	30		DIEBRN
CCCC(Cl)=NOC(=O)Nc1ccc(Br)cc1	ZINC000073335917	191306805	/nfs/dbraw/zinc/30/68/05/191306805.db2.gz	VXRQUUTTYZYBRH-XNTDXEJSSA-N	0	0	319.586	4.350	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](F)C2=O	ZINC000004726676	181142841	/nfs/dbraw/zinc/14/28/41/181142841.db2.gz	WVGGMHNJNOYSMF-HKQXQEGQSA-N	0	0	304.405	4.035	40	30	in-vitro	DIEBRN
C=C1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)C[C@H]1O	ZINC000004921384	181172912	/nfs/dbraw/zinc/17/29/12/181172912.db2.gz	CSAYBUZKHPFVBW-YRWKUUEZSA-N	0	0	318.501	4.307	40	30		DIEBRN
COc1ccc(C2=CC(=O)C[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000005061660	181199314	/nfs/dbraw/zinc/19/93/14/181199314.db2.gz	AGEKBMLRLTVUGG-QGZVFWFLSA-N	0	0	308.377	4.234	40	30		DIEBRN
Cc1ccccc1-c1nnc(SCc2ccccc2C#N)o1	ZINC000005230813	181219234	/nfs/dbraw/zinc/21/92/34/181219234.db2.gz	GSFWLRDTBXNQTC-UHFFFAOYSA-N	0	0	307.378	4.209	40	30		DIEBRN
Cc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1	ZINC000005376283	181235842	/nfs/dbraw/zinc/23/58/42/181235842.db2.gz	QJVYCTXPZHTJNG-WJDWOHSUSA-N	0	0	308.406	4.195	40	30		DIEBRN
Cc1ccc(/C=N/c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000005417497	181240553	/nfs/dbraw/zinc/24/05/53/181240553.db2.gz	JEAWBAVBEFFTPM-CXUHLZMHSA-N	0	0	319.158	4.416	40	30		DIEBRN
CCCCCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1	ZINC000005418792	181241173	/nfs/dbraw/zinc/24/11/73/181241173.db2.gz	YNQLMJVEBIYMDH-CZIZESTLSA-N	0	0	313.397	4.382	40	30		DIEBRN
N#CCC[C@@H]1[C@H](C#N)[C@@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl	ZINC000005600785	181262339	/nfs/dbraw/zinc/26/23/39/181262339.db2.gz	OLOUVKVPMPHARG-KYAGDKKUSA-N	0	0	310.011	4.108	40	30		DIEBRN
CC(C)=NN=C1c2ccccc2N=C1OC(=O)Nc1ccccc1	ZINC000005665108	181269561	/nfs/dbraw/zinc/26/95/61/181269561.db2.gz	FOXNYRGAFBRSJC-JWGURIENSA-N	0	0	320.352	4.164	40	30		DIEBRN
C=CCc1cc(C=O)cc(OCC)c1OCc1cccc(F)c1	ZINC000005651996	181268229	/nfs/dbraw/zinc/26/82/29/181268229.db2.gz	XUBCXNZCSBCWJL-UHFFFAOYSA-N	0	0	314.356	4.344	40	30		DIEBRN
C=C[C@]1(C)C=C2[C@H](CC1)[C@@]1(CO)CCCC(C)(C)[C@H]1C[C@@H]2O	ZINC000005734539	181278859	/nfs/dbraw/zinc/27/88/59/181278859.db2.gz	LLFMTZAPZGDWMG-GCLMUHHRSA-N	0	0	304.474	4.085	40	30		DIEBRN
N=C1NC(=Nc2cc(Cl)c(Cl)cc2Cl)c2ccccc21	ZINC000005731775	181278295	/nfs/dbraw/zinc/27/82/95/181278295.db2.gz	KICXABNWGGOUJL-UHFFFAOYSA-N	0	0	324.598	4.444	40	30		DIEBRN
C=C(C)[C@@H]1CC=C(C)[C@@](O)([C@]2(O)C[C@H](C(=C)C)CC=C2C)C1	ZINC000005757669	181281407	/nfs/dbraw/zinc/28/14/07/181281407.db2.gz	WPQAOGZTDKTBHI-WTGUMLROSA-N	0	0	302.458	4.313	40	30		DIEBRN
O=C(/C=N/OC(=O)Nc1cccc2ccccc21)c1ccccc1	ZINC000005772600	181282077	/nfs/dbraw/zinc/28/20/77/181282077.db2.gz	BURFGZKZMALBMI-DEDYPNTBSA-N	0	0	318.332	4.257	40	30		DIEBRN
CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1	ZINC000005841480	181288128	/nfs/dbraw/zinc/28/81/28/181288128.db2.gz	KPKSWJBCHBVVGN-VXLYETTFSA-N	0	0	316.788	4.391	40	30		DIEBRN
COc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000006314330	181328291	/nfs/dbraw/zinc/32/82/91/181328291.db2.gz	YENPQFUBRXFMGB-UDWIEESQSA-N	0	0	316.364	4.171	40	30		DIEBRN
O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1	ZINC000006339609	181331516	/nfs/dbraw/zinc/33/15/16/181331516.db2.gz	RHUZWOQCENJPPY-AATRIKPKSA-N	0	0	316.200	4.417	40	30		DIEBRN
O=C(/C=C/c1cccc(F)c1)c1cccc(Br)c1	ZINC000006338153	181331577	/nfs/dbraw/zinc/33/15/77/181331577.db2.gz	GBTXVHFXVPFANN-BQYQJAHWSA-N	0	0	305.146	4.484	40	30		DIEBRN
Cc1ccc(N[C@H](C#N)c2ccc(Br)cc2)cc1	ZINC000006574022	181356024	/nfs/dbraw/zinc/35/60/24/181356024.db2.gz	NCLQFQUHSJZJGF-OAHLLOKOSA-N	0	0	301.187	4.434	40	30		DIEBRN
CC/N=C1\S/C(=C\c2cccc3ccccc23)C(=O)N1CC	ZINC000006634110	181362876	/nfs/dbraw/zinc/36/28/76/181362876.db2.gz	GJEWFQKEXVDIPF-CEVXTBJXSA-N	0	0	310.422	4.152	40	30		DIEBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccsc1	ZINC000006684052	181370906	/nfs/dbraw/zinc/37/09/06/181370906.db2.gz	DYWZYMORMOOCFJ-OMCISZLKSA-N	0	0	315.276	4.121	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC	ZINC000216371535	201490967	/nfs/dbraw/zinc/49/09/67/201490967.db2.gz	BLZMCTXSBPBJDQ-CYBMUJFWSA-N	0	0	313.372	4.054	40	30		DIEBRN
COc1ccc(C#N)cc1OCc1ccc(Cl)cc1Cl	ZINC000011958285	181720773	/nfs/dbraw/zinc/72/07/73/181720773.db2.gz	VGSQNRRUUKCWAU-UHFFFAOYSA-N	0	0	308.164	4.453	40	30		DIEBRN
O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccccc1	ZINC000012032515	181725409	/nfs/dbraw/zinc/72/54/09/181725409.db2.gz	SIEULPBXBDVBDD-UVTDQMKNSA-N	0	0	314.797	4.232	40	30		DIEBRN
CS/C(=N\C#N)SCCOc1ccc2ccccc2c1	ZINC000015443969	182002364	/nfs/dbraw/zinc/00/23/64/182002364.db2.gz	PEJOBUDZIBGBDM-BMRADRMJSA-N	0	0	302.424	4.152	40	30		DIEBRN
CS/C(=N\C#N)SCOc1cc(Cl)ccc1Cl	ZINC000015441939	182002550	/nfs/dbraw/zinc/00/25/50/182002550.db2.gz	CBJNLAUACMIXEO-GXDHUFHOSA-N	0	0	307.227	4.263	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2cccc(Cl)c2C)cc1	ZINC000016249980	182038272	/nfs/dbraw/zinc/03/82/72/182038272.db2.gz	DAFKAWDGQWERPL-ZHACJKMWSA-N	0	0	301.773	4.466	40	30		DIEBRN
C=CCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000016405757	182044352	/nfs/dbraw/zinc/04/43/52/182044352.db2.gz	ZYTFDHLDELANGZ-LFYBBSHMSA-N	0	0	309.321	4.056	40	30		DIEBRN
COc1ccc(C(=O)O/N=C2/CCC/C2=C\c2ccccc2)cc1	ZINC000017194616	182079342	/nfs/dbraw/zinc/07/93/42/182079342.db2.gz	JPEHXBNJNKFMBG-JNWXMYNPSA-N	0	0	321.376	4.476	40	30		DIEBRN
COc1ccc(/C=C2\C/C(=C/c3ccc(OC)cc3)C2=O)cc1	ZINC000018145777	182094529	/nfs/dbraw/zinc/09/45/29/182094529.db2.gz	MIRDYOPYSWHVBG-QJWWANOYSA-N	0	0	306.361	4.144	40	30		DIEBRN
CCCN(CCC#N)C(=S)Nc1ccc(Cl)c(Cl)c1	ZINC000019691484	182137522	/nfs/dbraw/zinc/13/75/22/182137522.db2.gz	BBCDRYDCJBBDSC-UHFFFAOYSA-N	0	0	316.257	4.316	40	30		DIEBRN
Nc1ccc(/C=C2\CCC/C(=C\c3ccc(N)cc3)C2=O)cc1	ZINC000020457306	182219993	/nfs/dbraw/zinc/21/99/93/182219993.db2.gz	AKSHKVRCEXTHAZ-UNZYHPAISA-N	0	0	304.393	4.071	40	30		DIEBRN
Cc1cc(/C=N/c2cccnc2)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000100116871	193795743	/nfs/dbraw/zinc/79/57/43/193795743.db2.gz	NZJXAAYZQGAGIN-RGVLZGJSSA-N	0	0	320.352	4.148	40	30		DIEBRN
C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCCC	ZINC000038882487	183012432	/nfs/dbraw/zinc/01/24/32/183012432.db2.gz	ZQUSMAKILHACBU-UHFFFAOYSA-N	0	0	315.413	4.491	40	30		DIEBRN
Cc1cccc(CNc2cc(Br)ccc2C#N)c1	ZINC000039956494	183024249	/nfs/dbraw/zinc/02/42/49/183024249.db2.gz	ZYGOIMQEXSGDBX-UHFFFAOYSA-N	0	0	301.187	4.241	40	30		DIEBRN
Cc1ccc(CNc2cc(Br)ccc2C#N)cc1	ZINC000039956496	183024482	/nfs/dbraw/zinc/02/44/82/183024482.db2.gz	PIDWHBSEEXFZRE-UHFFFAOYSA-N	0	0	301.187	4.241	40	30		DIEBRN
Cc1ccc(-n2nc(-c3ccc(C)cc3Cl)c(C#N)c2N)cc1	ZINC000039955160	183024487	/nfs/dbraw/zinc/02/44/87/183024487.db2.gz	MKHIJPPHNJGTGX-UHFFFAOYSA-N	0	0	322.799	4.263	40	30		DIEBRN
CCOc1ccc(C=NNc2cc(C)nc3ccccc32)cc1	ZINC000041127757	183169866	/nfs/dbraw/zinc/16/98/66/183169866.db2.gz	ZHUOBWTZOJJOQL-DEDYPNTBSA-N	0	0	305.381	4.388	40	30		DIEBRN
Oc1ccc(Br)cc1/C=N/[C@@H]1CCc2ccccc21	ZINC000057411996	184037398	/nfs/dbraw/zinc/03/73/98/184037398.db2.gz	ONCKQELISQQWEM-BFERYNQYSA-N	0	0	316.198	4.261	40	30		DIEBRN
COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccccc2)c1	ZINC000059678527	256540250	/nfs/dbraw/zinc/54/02/50/256540250.db2.gz	OAMWERQRGZGAKS-KGENOOAVSA-N	0	0	318.376	4.323	40	30		DIEBRN
CC1(C)OC12[C@H]1c3c(c(F)c(F)c(F)c3F)[C@@H]2[C@@H]2C=CC=C[C@@H]21	ZINC000101049807	256567982	/nfs/dbraw/zinc/56/79/82/256567982.db2.gz	UXZPCDKSPSVOHF-RRKAPMATSA-N	0	0	322.301	4.343	40	30		DIEBRN
CCCCCCCCS(=O)(=O)[C@@H]1CCCCCC/C1=N\O	ZINC000103013227	256574264	/nfs/dbraw/zinc/57/42/64/256574264.db2.gz	CSGBVAMBSRWGTF-IBOXJLQUSA-N	0	0	317.495	4.315	40	30		DIEBRN
CN(C)c1ccc(/C=C\C(=O)/C=C\c2ccc(N(C)C)cc2)cc1	ZINC000005124967	256518052	/nfs/dbraw/zinc/51/80/52/256518052.db2.gz	JWTSVUUPJIIXTO-VULZFCBJSA-N	0	0	320.436	4.114	40	30		DIEBRN
C=CC[C@@H](OC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2	ZINC000005601115	256519321	/nfs/dbraw/zinc/51/93/21/256519321.db2.gz	NLYPEUZNSFTLAM-QGZVFWFLSA-N	0	0	324.376	4.209	40	30		DIEBRN
N#Cc1cc(Br)ccc1OCc1cccc(F)c1	ZINC000105710828	256581772	/nfs/dbraw/zinc/58/17/72/256581772.db2.gz	GKTQQIPLCINWPW-UHFFFAOYSA-N	0	0	306.134	4.039	40	30		DIEBRN
Cc1cccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1	ZINC000059105827	257217337	/nfs/dbraw/zinc/21/73/37/257217337.db2.gz	MZRRAOSPQOOJBP-XNTDXEJSSA-N	0	0	312.369	4.026	40	30		DIEBRN
COc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Cl	ZINC000009142093	257217972	/nfs/dbraw/zinc/21/79/72/257217972.db2.gz	IMNVFCXRXJGODD-UHFFFAOYSA-N	0	0	320.801	4.151	40	30		DIEBRN
N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(F)c1	ZINC000009141651	257217999	/nfs/dbraw/zinc/21/79/99/257217999.db2.gz	XNLOKXUATGUBRR-UHFFFAOYSA-N	0	0	309.127	4.256	40	30		DIEBRN
COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C#N)cc1	ZINC000409235533	257220691	/nfs/dbraw/zinc/22/06/91/257220691.db2.gz	CAIHJGTVKOBWSL-PXLXIMEGSA-N	0	0	319.408	4.308	40	30		DIEBRN
COc1ccc(/N=C\c2cc(C)n(-c3ccccn3)c2C)cc1	ZINC000409233175	257220727	/nfs/dbraw/zinc/22/07/27/257220727.db2.gz	RNCBJRPWGQQCOZ-BKUYFWCQSA-N	0	0	305.381	4.248	40	30		DIEBRN
CCc1cccc2c(C#N)cn(CCOc3ccccc3C)c21	ZINC000409205181	257220947	/nfs/dbraw/zinc/22/09/47/257220947.db2.gz	OHIOSRIPPGACAA-UHFFFAOYSA-N	0	0	304.393	4.463	40	30		DIEBRN
CCN1C(=O)/C(=C\c2ccoc2)S/C1=N/c1ccc(F)cc1	ZINC000409238899	257220993	/nfs/dbraw/zinc/22/09/93/257220993.db2.gz	OGSVTRHTVUKLRL-QNVRJZFTSA-N	0	0	316.357	4.043	40	30		DIEBRN
O=C(C=CNCc1ccc(F)cc1)c1cccc2ccccc21	ZINC000409183499	257221370	/nfs/dbraw/zinc/22/13/70/257221370.db2.gz	UGQMYBOIXMUQKO-OUKQBFOZSA-N	0	0	305.352	4.465	40	30		DIEBRN
CN(C)/N=C/c1cccc(OCc2cccc3ccccc32)c1	ZINC000409184992	257221461	/nfs/dbraw/zinc/22/14/61/257221461.db2.gz	ZVLJEGWDVQBROG-KGENOOAVSA-N	0	0	304.393	4.314	40	30		DIEBRN
Cc1ccccc1/N=C\c1ccc(OCC(=O)OC(C)C)cc1	ZINC000409187321	257221488	/nfs/dbraw/zinc/22/14/88/257221488.db2.gz	OWLUQZUNNZDFKG-NDENLUEZSA-N	0	0	311.381	4.076	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1OC	ZINC000409131701	257221827	/nfs/dbraw/zinc/22/18/27/257221827.db2.gz	KDBKQFMUHQXKCN-UHFFFAOYSA-N	0	0	315.800	4.281	40	30		DIEBRN
C#CCOc1c(CC=C)cc(CNc2cccc(C)c2)cc1OC	ZINC000409112890	257222196	/nfs/dbraw/zinc/22/21/96/257222196.db2.gz	MGXAKILDASAYES-UHFFFAOYSA-N	0	0	321.420	4.356	40	30		DIEBRN
Cc1ccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000409102833	257222646	/nfs/dbraw/zinc/22/26/46/257222646.db2.gz	FFYORVXZVCTQRH-PXNMLYILSA-N	0	0	319.704	4.215	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2)C1=O	ZINC000409107440	257222843	/nfs/dbraw/zinc/22/28/43/257222843.db2.gz	PVDKOVDXZIHGLI-FOWTUZBSSA-N	0	0	324.405	4.008	40	30		DIEBRN
Fc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl	ZINC000409095248	257223462	/nfs/dbraw/zinc/22/34/62/257223462.db2.gz	HDHXGNYROSROOL-UDWIEESQSA-N	0	0	318.779	4.066	40	30		DIEBRN
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O	ZINC000409055066	257223701	/nfs/dbraw/zinc/22/37/01/257223701.db2.gz	ICDIYWKYXBHALV-GHRIWEEISA-N	0	0	319.385	4.023	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O	ZINC000409072309	257223734	/nfs/dbraw/zinc/22/37/34/257223734.db2.gz	UURMCBRHRUTWDB-GXDHUFHOSA-N	0	0	318.442	4.082	40	30		DIEBRN
CC(=O)c1cccc(N=Cc2cccn2-c2ccc(O)cc2)c1	ZINC000409016901	257224080	/nfs/dbraw/zinc/22/40/80/257224080.db2.gz	LJXYFHJWXXPTCO-DEDYPNTBSA-N	0	0	304.349	4.136	40	30		DIEBRN
COc1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1	ZINC000408978002	257224572	/nfs/dbraw/zinc/22/45/72/257224572.db2.gz	XOHDYRGAVBIIJJ-DEDYPNTBSA-N	0	0	305.381	4.248	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1	ZINC000408962266	257225206	/nfs/dbraw/zinc/22/52/06/257225206.db2.gz	XUWIKFYMGBUGKS-KGENOOAVSA-N	0	0	321.424	4.304	40	30		DIEBRN
COc1ccc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1	ZINC000408844472	257225863	/nfs/dbraw/zinc/22/58/63/257225863.db2.gz	CWUCONQCJVKUGW-QNGOZBTKSA-N	0	0	319.408	4.303	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C/c2c(C)n(C)c3ccccc23)c1	ZINC000408849163	257225985	/nfs/dbraw/zinc/22/59/85/257225985.db2.gz	VIFWQBJRJOVUNA-FYJGNVAPSA-N	0	0	320.392	4.414	40	30		DIEBRN
CCN(CC)c1ccc(C=[NH+][N-]c2nc3ccccc3s2)o1	ZINC000408872736	257226030	/nfs/dbraw/zinc/22/60/30/257226030.db2.gz	PIQKZNUUKNWVGL-GZTJUZNOSA-N	0	0	314.414	4.182	40	30		DIEBRN
COc1ccc(-n2cccc2/C=N\c2cccc([N+](=O)[O-])c2)cc1	ZINC000408858859	257226066	/nfs/dbraw/zinc/22/60/66/257226066.db2.gz	RBHLTLAZUSLFOB-UYRXBGFRSA-N	0	0	321.336	4.145	40	30		DIEBRN
COc1ccc2c(c1)OCc1sc(/N=C/c3ccccc3)nc1-2	ZINC000408723039	257227757	/nfs/dbraw/zinc/22/77/57/257227757.db2.gz	PSGSKRYDSMYBDL-VXLYETTFSA-N	0	0	322.389	4.462	40	30		DIEBRN
CC[C@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1	ZINC000408597127	257229350	/nfs/dbraw/zinc/22/93/50/257229350.db2.gz	WOWDGFQCTYBDFE-PCXKXAPESA-N	0	0	308.381	4.286	40	30		DIEBRN
CC(C)COc1ccc(/C=N/OCc2ccccc2C#N)cc1	ZINC000408588489	257229439	/nfs/dbraw/zinc/22/94/39/257229439.db2.gz	BQPQXXLTIWHJLR-CIAFOILYSA-N	0	0	308.381	4.144	40	30		DIEBRN
O=C(/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1	ZINC000001587892	257231341	/nfs/dbraw/zinc/23/13/41/257231341.db2.gz	STPVFPULFIBVFB-LSDHQDQOSA-N	0	0	315.372	4.490	40	30		DIEBRN
Cc1ccc(COc2ccc(/C=N/O)cc2Br)cc1	ZINC000011897027	331526031	/nfs/dbraw/zinc/52/60/31/331526031.db2.gz	QRANMYRWDCHCCN-RQZCQDPDSA-N	0	0	320.186	4.145	40	30		DIEBRN
Cc1ccc(NC(=S)Nc2ccc(C#N)cc2)cc1Cl	ZINC000071761795	331922868	/nfs/dbraw/zinc/92/28/68/331922868.db2.gz	WXDQBODXJRBGTF-UHFFFAOYSA-N	0	0	301.802	4.329	40	30		DIEBRN
C=CCSc1ccccc1C(=O)NCCSC1CCCC1	ZINC000222742394	331958842	/nfs/dbraw/zinc/95/88/42/331958842.db2.gz	HWJDKCXZTWBKGQ-UHFFFAOYSA-N	0	0	321.511	4.370	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NCc2ccc(C)cc2)c1	ZINC000225311786	332466140	/nfs/dbraw/zinc/46/61/40/332466140.db2.gz	ZVCFYARZDIGSFQ-UHFFFAOYSA-N	0	0	312.438	4.046	40	30		DIEBRN
C=CCOc1ccc(NC(=S)NCc2ccc(C)cc2)cc1	ZINC000225311737	332466908	/nfs/dbraw/zinc/46/69/08/332466908.db2.gz	VBHHTZFXXUUJNK-UHFFFAOYSA-N	0	0	312.438	4.046	40	30		DIEBRN
CCCn1cc(/C=N/NCc2ccccc2OC)c2ccccc21	ZINC000020763496	333385322	/nfs/dbraw/zinc/38/53/22/333385322.db2.gz	JZQQUTUJQWOSTN-HYARGMPZSA-N	0	0	321.424	4.184	40	30		DIEBRN
C[C@@]12CC=C3[C@@H](CCC4=CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@]2(C)O	ZINC000263602283	333945759	/nfs/dbraw/zinc/94/57/59/333945759.db2.gz	MCBUDGHRLJAMOZ-SGTGQSRGSA-N	0	0	318.432	4.137	40	30		DIEBRN
C[C@@H]1C[C@@H]2C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@]3(C)CC[C@@H]12	ZINC000263600097	333945834	/nfs/dbraw/zinc/94/58/34/333945834.db2.gz	JQIGNJUHWXILBM-YBBKKWCSSA-N	0	0	302.458	4.125	40	30		DIEBRN
Brc1ccc(C=NN=c2[nH]c3ccccc3o2)cc1	ZINC000031939377	518209197	/nfs/dbraw/zinc/20/91/97/518209197.db2.gz	WDXXKZQGXPUKCW-SXGWCWSVSA-N	0	0	316.158	4.036	40	30		DIEBRN
CCCCCCCCCCn1cnc2c1nc(N)[nH]c2=S	ZINC000001652251	520026780	/nfs/dbraw/zinc/02/67/80/520026780.db2.gz	YXFITSIETKQSNS-UHFFFAOYSA-N	0	0	307.467	4.212	40	30		DIEBRN
Cc1ccc(C(=O)N=C2C=C(C(C)C)C(=O)C(Cl)=C2C)cc1	ZINC000026787192	526015677	/nfs/dbraw/zinc/01/56/77/526015677.db2.gz	HVARNDFEYIXJRB-HMMYKYKNSA-N	0	0	315.800	4.254	40	30		DIEBRN
CCCCCCCCSC1=NS(=O)(=O)c2ccccc21	ZINC000104161261	563563027	/nfs/dbraw/zinc/56/30/27/563563027.db2.gz	AMCIYOKWUQTWAO-UHFFFAOYSA-N	0	0	311.472	4.229	40	30		DIEBRN
C=CCc1cc(C(=O)NC[C@@H](CC)CCCC)ccc1OC	ZINC000224125979	563593899	/nfs/dbraw/zinc/59/38/99/563593899.db2.gz	NPSRXMZMFBHNGO-HNNXBMFYSA-N	0	0	303.446	4.370	40	30		DIEBRN
C=CCn1c(C)cs/c1=N/c1cccc(Br)c1	ZINC000102941081	563871949	/nfs/dbraw/zinc/87/19/49/563871949.db2.gz	UOWFXMAQUZQNHW-FYWRMAATSA-N	0	0	309.232	4.039	40	30		DIEBRN
N#Cc1ccccc1CO/N=C/c1ccc(Cl)c(Cl)c1	ZINC000009453716	563273326	/nfs/dbraw/zinc/27/33/26/563273326.db2.gz	WEMMKZIICXFCKF-DJKKODMXSA-N	0	0	305.164	4.416	40	30		DIEBRN
CCCCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000001592205	563287052	/nfs/dbraw/zinc/28/70/52/563287052.db2.gz	BHSLWXAMJJBRMF-UHFFFAOYSA-N	0	0	305.805	4.076	40	30		DIEBRN
COc1ccc([C@@H]2O[C@@]23CC(C)(C)c2ccccc2C3=O)cc1	ZINC000001744807	563294452	/nfs/dbraw/zinc/29/44/52/563294452.db2.gz	SRXZBCFCVYQQHL-AZUAARDMSA-N	0	0	308.377	4.070	40	30		DIEBRN
O=C1c2ccccc2C(=O)C1=Cc1ccc2cccc(Cl)c2n1	ZINC000001733910	563294535	/nfs/dbraw/zinc/29/45/35/563294535.db2.gz	NISBKWSNPKSUID-UHFFFAOYSA-N	0	0	319.747	4.351	40	30		DIEBRN
O=C(/C=C/O/C=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1	ZINC000002146223	563300371	/nfs/dbraw/zinc/30/03/71/563300371.db2.gz	CATOHGSJDSHEKL-WGDLNXRISA-N	0	0	314.287	4.074	40	30		DIEBRN
Cc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cn2)c(C)c1	ZINC000006862076	563334394	/nfs/dbraw/zinc/33/43/94/563334394.db2.gz	GMNUBEOQWFAMJZ-ZVBGSRNCSA-N	0	0	307.319	4.472	40	30		DIEBRN
Cc1nc2ccc(NC(=S)NC3CCCCC3)cc2nc1C	ZINC000013571426	563383480	/nfs/dbraw/zinc/38/34/80/563383480.db2.gz	NYVGOFYAODJIEV-UHFFFAOYSA-N	0	0	314.458	4.277	40	30		DIEBRN
O=C(/C=C/c1cccc(Br)c1)c1cccc(F)c1	ZINC000028495455	563432329	/nfs/dbraw/zinc/43/23/29/563432329.db2.gz	UVSHEEOTCBFLCO-BQYQJAHWSA-N	0	0	305.146	4.484	40	30		DIEBRN
CCC(C)=CN=Nc1nnc(N=NC=C(C)CC)c2ccccc21	ZINC000031669985	563440356	/nfs/dbraw/zinc/44/03/56/563440356.db2.gz	VTZJNVBINZKWIB-JMAVQNETSA-N	0	0	322.416	4.358	40	30		DIEBRN
COc1ccc(OC)c(NC(C)=CC(=O)c2ccc(C)cc2)c1	ZINC000100246110	563548613	/nfs/dbraw/zinc/54/86/13/563548613.db2.gz	KAPFYXBQNMVJHN-SDNWHVSQSA-N	0	0	311.381	4.211	40	30		DIEBRN
Cc1ncc([N+](=O)[O-])n1[C@H]1CCCCCCCCCC/C1=N/O	ZINC000100966169	563555414	/nfs/dbraw/zinc/55/54/14/563555414.db2.gz	PTGSDVXFSZWWSL-LSVCFVEQSA-N	0	0	322.409	4.386	40	30		DIEBRN
CCCCCCCCCCc1c(C)nc(N2CCCC2)[nH]c1=O	ZINC000102241503	563558902	/nfs/dbraw/zinc/55/89/02/563558902.db2.gz	HCWRTWXQPDZQJY-UHFFFAOYSA-N	0	0	319.493	4.362	40	30		DIEBRN
CCCCCCCCCCCCOC(=O)[C@H](C)OC(C)=O	ZINC000104174528	563563001	/nfs/dbraw/zinc/56/30/01/563563001.db2.gz	CVMGTQQQHNSKAB-HNNXBMFYSA-N	0	0	300.439	4.402	40	30		DIEBRN
C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1	ZINC000224668027	563598208	/nfs/dbraw/zinc/59/82/08/563598208.db2.gz	NUWWXULUXRVNTI-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
COc1ccc([C@@H](CC#N)[C@H](C#N)c2cccc(F)c2)cc1OC	ZINC000000133265	563605572	/nfs/dbraw/zinc/60/55/72/563605572.db2.gz	CKRWLHFLYBSRAA-IAGOWNOFSA-N	0	0	324.355	4.148	40	30		DIEBRN
C=CCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21	ZINC000409391988	563627638	/nfs/dbraw/zinc/62/76/38/563627638.db2.gz	MJYKELPNEUBLTQ-UHFFFAOYSA-N	0	0	313.356	4.290	40	30		DIEBRN
Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000101408198	563634051	/nfs/dbraw/zinc/63/40/51/563634051.db2.gz	KAICNGKVERRMAH-PXNMLYILSA-N	0	0	319.704	4.215	40	30		DIEBRN
Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1ccc(F)cc1	ZINC000225882885	563646121	/nfs/dbraw/zinc/64/61/21/563646121.db2.gz	NNYIEEYZLVJQBE-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
O=[N+]([O-])c1cc(/C=N/NCc2ccc(Cl)cc2)ccc1Cl	ZINC000010118837	563652228	/nfs/dbraw/zinc/65/22/28/563652228.db2.gz	YAMOPGQTJLOKBP-GIJQJNRQSA-N	0	0	324.167	4.025	40	30		DIEBRN
N#CCc1ccc(NC(=O)CCc2cccc3ccccc32)cc1	ZINC000222662685	563727190	/nfs/dbraw/zinc/72/71/90/563727190.db2.gz	GDYMWWSVSXUACD-UHFFFAOYSA-N	0	0	314.388	4.477	40	30		DIEBRN
Cc1ccc([C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225467961	563756105	/nfs/dbraw/zinc/75/61/05/563756105.db2.gz	NTXHWQGFTSFNOG-AWEZNQCLSA-N	0	0	309.438	4.109	40	30		DIEBRN
CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1	ZINC000225483101	563756988	/nfs/dbraw/zinc/75/69/88/563756988.db2.gz	XITPWELRJNYLQP-GOSISDBHSA-N	0	0	323.465	4.499	40	30		DIEBRN
N#CCc1ccc(NC(=S)NC2CCCCCCC2)cc1	ZINC000225517056	563757696	/nfs/dbraw/zinc/75/76/96/563757696.db2.gz	STEJQTRMGNZGOT-UHFFFAOYSA-N	0	0	301.459	4.152	40	30		DIEBRN
COc1ccc(C(=O)/C=C2/c3ccccc3CC(C)(C)N2C)cc1	ZINC000033311185	563769593	/nfs/dbraw/zinc/76/95/93/563769593.db2.gz	AFNRNLJHETZADJ-UYRXBGFRSA-N	0	0	321.420	4.186	40	30		DIEBRN
Cc1cccc(C(=O)/C=C2/c3ccccc3CC(C)(C)N2C)c1	ZINC000033932122	563770341	/nfs/dbraw/zinc/77/03/41/563770341.db2.gz	SYQGTTFAPGOSGL-UYRXBGFRSA-N	0	0	305.421	4.485	40	30		DIEBRN
C=CCc1cc(/C=N/c2ccc(C#N)cc2)cc(OCC)c1O	ZINC000059249663	563771176	/nfs/dbraw/zinc/77/11/76/563771176.db2.gz	VZSHNNYNBRTVTF-FYJGNVAPSA-N	0	0	306.365	4.142	40	30		DIEBRN
COC(=O)c1cccc(/N=C/c2c(C)n(C)c3ccccc23)c1	ZINC000059679229	563772227	/nfs/dbraw/zinc/77/22/27/563772227.db2.gz	SBCYADWAQFAEGX-UDWIEESQSA-N	0	0	306.365	4.024	40	30		DIEBRN
CC(=O)C1=C2CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CC1	ZINC000263612656	563794215	/nfs/dbraw/zinc/79/42/15/563794215.db2.gz	YJTCYQZTDMGVPF-YZEAIEHJSA-N	0	0	302.458	4.269	40	30		DIEBRN
CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C	ZINC000263613313	563794742	/nfs/dbraw/zinc/79/47/42/563794742.db2.gz	ZDHCJEIGTNNEMY-IOXPTURASA-N	0	0	302.458	4.269	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)Nc2ccccc2OCC)c1	ZINC000008570656	563835226	/nfs/dbraw/zinc/83/52/26/563835226.db2.gz	HXCSWZULCLJYSM-UHFFFAOYSA-N	0	0	311.381	4.293	40	30		DIEBRN
C=CCn1c(-c2ccccc2)csc1=Nc1ccc(O)cc1	ZINC000001455090	563841048	/nfs/dbraw/zinc/84/10/48/563841048.db2.gz	YURUQTAGDWBNTK-UHFFFAOYSA-O	0	0	309.414	4.338	40	30		DIEBRN
C=CCOc1cc2c(cc1[C@H](C)c1ccc(F)cc1)OCO2	ZINC000001584494	563841106	/nfs/dbraw/zinc/84/11/06/563841106.db2.gz	OUJHENDVCAWKRE-GFCCVEGCSA-N	0	0	300.329	4.271	40	30		DIEBRN
O=C1ON=C(c2ccccc2)C1=CNc1ccc2ccccc2c1	ZINC000101662257	563850890	/nfs/dbraw/zinc/85/08/90/563850890.db2.gz	MNEZINFKGVTSPT-AQTBWJFISA-N	0	0	314.344	4.097	40	30		DIEBRN
C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1	ZINC000216886506	563857158	/nfs/dbraw/zinc/85/71/58/563857158.db2.gz	DDWQRHIHDSCWRT-KPKJPENVSA-N	0	0	312.340	4.147	40	30		DIEBRN
Cc1cc(C#N)c(C)n1-c1ccc(Br)c(Cl)c1	ZINC000223705675	563863713	/nfs/dbraw/zinc/86/37/13/563863713.db2.gz	ZKEOPQDRXWWQQR-UHFFFAOYSA-N	0	0	309.594	4.382	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1	ZINC000219643224	563869070	/nfs/dbraw/zinc/86/90/70/563869070.db2.gz	LAPSMUIFDVVORI-INIZCTEOSA-N	0	0	309.409	4.359	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2C)o1	ZINC000226256648	563913164	/nfs/dbraw/zinc/91/31/64/563913164.db2.gz	IVAQGDCIZUDATJ-RMKNXTFCSA-N	0	0	300.741	4.098	40	30		DIEBRN
Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2C)cc1	ZINC000213167043	563913840	/nfs/dbraw/zinc/91/38/40/563913840.db2.gz	RAUQBIIRZCDHOG-BOXNHUFISA-N	0	0	308.406	4.229	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1OCC	ZINC000006960559	563921813	/nfs/dbraw/zinc/92/18/13/563921813.db2.gz	OUDVSPSKTXJBDG-KGENOOAVSA-N	0	0	307.393	4.465	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CCc2ccc(CC)cc2)c1	ZINC000010325238	563922560	/nfs/dbraw/zinc/92/25/60/563922560.db2.gz	ACRYUCFAVBWDKU-UHFFFAOYSA-N	0	0	309.409	4.385	40	30		DIEBRN
CCCOc1cccc(/C=N/NCc2ccc(Cl)cc2)c1	ZINC000010119027	563922584	/nfs/dbraw/zinc/92/25/84/563922584.db2.gz	ACLMBCBGDLCCAD-DEDYPNTBSA-N	0	0	302.805	4.253	40	30		DIEBRN
N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc2c(O)cccc12	ZINC000008703026	563927490	/nfs/dbraw/zinc/92/74/90/563927490.db2.gz	BAWQYERZUTUNAI-UHFFFAOYSA-N	0	0	305.293	4.069	40	30		DIEBRN
Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2C#N)cc1	ZINC000011400417	563928213	/nfs/dbraw/zinc/92/82/13/563928213.db2.gz	ZLIRZPKEEQCYLW-UHFFFAOYSA-N	0	0	316.813	4.251	40	30		DIEBRN
CC(C)Cc1c(N)cc(C#N)n1Cc1cccc2ccccc21	ZINC000225856985	563939242	/nfs/dbraw/zinc/93/92/42/563939242.db2.gz	NDVVHRZPXKVOTD-UHFFFAOYSA-N	0	0	303.409	4.342	40	30		DIEBRN
CC(C)=C[C@H](O)C=C(C)CC(=O)C[C@@](C)(O)[C@H]1CC=C(C)CC1	ZINC000230141136	563941822	/nfs/dbraw/zinc/94/18/22/563941822.db2.gz	WEUVHVLQXALSSL-YEOZEDBDSA-N	0	0	320.473	4.107	40	30	biogenic,in-vitro	DIEBRN
N#C[C@H]1CCC[C@@](CCc2ccccc2)(c2ccccc2)C1=O	ZINC000001564930	568412267	/nfs/dbraw/zinc/41/22/67/568412267.db2.gz	CQZPUJPZJWTUIE-WIYYLYMNSA-N	0	0	303.405	4.450	40	30		DIEBRN
O=C(Nc1cc(C(F)(F)F)ccc1Cl)ON1CCCCC1	ZINC000001568656	568413901	/nfs/dbraw/zinc/41/39/01/568413901.db2.gz	GLYWHEKRPATAEL-UHFFFAOYSA-N	0	0	322.714	4.308	40	30		DIEBRN
CN(C)/N=C(\Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002555877	1055970883	/nfs/dbraw/zinc/97/08/83/1055970883.db2.gz	RUFMKOCSXHUAHN-OCKHKDLRSA-N	0	0	318.648	4.186	40	30		DIEBRN
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C#N)cc1	ZINC000014738629	1056468213	/nfs/dbraw/zinc/46/82/13/1056468213.db2.gz	APNBKXOQEZBGAI-CQSZACIVSA-N	0	0	316.360	4.117	40	30		DIEBRN
S=C1N=NC(C2CCCCC2)N1N=Cc1cccc(Cl)c1	ZINC000252429527	1056553318	/nfs/dbraw/zinc/55/33/18/1056553318.db2.gz	ZWYLPQIGXRPQIG-UHFFFAOYSA-N	0	0	320.849	4.150	40	30		DIEBRN
O/N=C1\CCC=CCCC=CCC[C@H]1SC1=NCCS1	ZINC001559624557	1059453364	/nfs/dbraw/zinc/45/33/64/1059453364.db2.gz	NOMMIJASTOZFRS-AHUMJXSJSA-N	0	0	310.488	4.488	40	30		DIEBRN
O/N=C1\CCC=CCCC=CCC[C@@H]1SC1=NCCS1	ZINC001559624558	1059453524	/nfs/dbraw/zinc/45/35/24/1059453524.db2.gz	NOMMIJASTOZFRS-BYSCEPROSA-N	0	0	310.488	4.488	40	30		DIEBRN
C=CCc1ccccc1O[C@H](C)c1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000076555545	185022780	/nfs/dbraw/zinc/02/27/80/185022780.db2.gz	YDRUJJLOKFSBQS-GFCCVEGCSA-N	0	0	323.352	4.340	40	30		DIEBRN
CCn1c2ccc(/C(C)=N/O)cc2c2cc(/C(C)=N\O)ccc21	ZINC000096901717	185390553	/nfs/dbraw/zinc/39/05/53/185390553.db2.gz	SMADFIJMWGFTLC-UHWBUFEVSA-N	0	0	309.369	4.211	40	30		DIEBRN
CC(C)CCc1c(N)cc(C#N)n1Cc1ccccc1Cl	ZINC000225854125	201755454	/nfs/dbraw/zinc/75/54/54/201755454.db2.gz	ONFMNOUHQFQELS-UHFFFAOYSA-N	0	0	301.821	4.232	40	30		DIEBRN
N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1Cc1ccccc1	ZINC000225853987	201755795	/nfs/dbraw/zinc/75/57/95/201755795.db2.gz	XFOOQNQODMJHEB-UHFFFAOYSA-N	0	0	321.811	4.234	40	30		DIEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccc(F)cc2)cc1	ZINC000225855232	201755926	/nfs/dbraw/zinc/75/59/26/201755926.db2.gz	VHUBGVJGFCPFAS-UHFFFAOYSA-N	0	0	319.383	4.029	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1	ZINC000225880781	201758028	/nfs/dbraw/zinc/75/80/28/201758028.db2.gz	PWQCFXBCBPVLRL-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000226257939	201769110	/nfs/dbraw/zinc/76/91/10/201769110.db2.gz	QXQMABREAYRIMS-VQHVLOKHSA-N	0	0	321.159	4.443	40	30		DIEBRN
N#Cc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1C#N	ZINC000000567059	334965772	/nfs/dbraw/zinc/96/57/72/334965772.db2.gz	NCEBWDMTRDRXBC-AWQFTUOYSA-N	0	0	300.148	4.487	40	30		DIEBRN
CCCCC(=O)Nc1ccc2nc(N=NC(C)C)sc2c1	ZINC000072229636	191077445	/nfs/dbraw/zinc/07/74/45/191077445.db2.gz	ZVYHEBHCOPJJNV-UHFFFAOYSA-N	0	0	304.419	4.233	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000003881794	181052348	/nfs/dbraw/zinc/05/23/48/181052348.db2.gz	GCKMFJBGXUYNAG-MPRNQXESSA-N	0	0	302.458	4.269	40	30	in-vitro	DIEBRN
CC(C)/N=C1\N(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1	ZINC000004265357	181089855	/nfs/dbraw/zinc/08/98/55/181089855.db2.gz	CTRBJDDRAMGZDJ-QOCHGBHMSA-N	0	0	320.436	4.030	40	30		DIEBRN
CCC1CCCCC1=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004273535	181090635	/nfs/dbraw/zinc/09/06/35/181090635.db2.gz	GTVXGRXMUHOZFS-MHWRWJLKSA-N	0	0	318.333	4.181	40	30		DIEBRN
C[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12	ZINC000004783593	181151950	/nfs/dbraw/zinc/15/19/50/181151950.db2.gz	QRHBXQAFGLVWFW-JQMFHEMUSA-N	0	0	302.458	4.125	40	30	in-vitro	DIEBRN
CC/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccccc1	ZINC000004871709	181167161	/nfs/dbraw/zinc/16/71/61/181167161.db2.gz	ZMZIQAAUXWWIND-CAPFRKAQSA-N	0	0	311.454	4.404	40	30		DIEBRN
C=CCOC(=O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000073633987	191332884	/nfs/dbraw/zinc/33/28/84/191332884.db2.gz	DGRLHYGILQGFFL-UHFFFAOYSA-N	0	0	313.740	4.491	40	30		DIEBRN
O=C(C=CNc1ccc2c(c1)OCO2)c1cccc2ccccc21	ZINC000004957223	181179760	/nfs/dbraw/zinc/17/97/60/181179760.db2.gz	CQAAVSXOVIMZQR-KHPPLWFESA-N	0	0	317.344	4.377	40	30		DIEBRN
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CCc1ccoc1	ZINC000005064232	181199493	/nfs/dbraw/zinc/19/94/93/181199493.db2.gz	XDYGCIOWNPNVIH-RLLQIKCJSA-N	0	0	316.441	4.305	40	30	in-vitro	DIEBRN
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CCc1ccoc1	ZINC000005064233	181199532	/nfs/dbraw/zinc/19/95/32/181199532.db2.gz	XDYGCIOWNPNVIH-SXLOBPIMSA-N	0	0	316.441	4.305	40	30		DIEBRN
COc1ccc(OC)c(C(=O)/C=C/c2cccc(Cl)c2)c1	ZINC000005129413	181207511	/nfs/dbraw/zinc/20/75/11/181207511.db2.gz	ZDODDDGTXRXONU-SOFGYWHQSA-N	0	0	302.757	4.253	40	30		DIEBRN
CC1C=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000005232061	181219230	/nfs/dbraw/zinc/21/92/30/181219230.db2.gz	LZHZZWDJQVOHNC-WJDWOHSUSA-N	0	0	318.333	4.037	40	30		DIEBRN
Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)o1	ZINC000005376674	181236554	/nfs/dbraw/zinc/23/65/54/181236554.db2.gz	MJTUUCXDHWIVKT-OQLLNIDSSA-N	0	0	312.394	4.096	40	30		DIEBRN
c1ccc(C(=NN=c2ccc3ccccc3[nH]2)c2ccccn2)cc1	ZINC000005392977	181239021	/nfs/dbraw/zinc/23/90/21/181239021.db2.gz	OMPFOEQSNRLYEL-DAFNUICNSA-N	0	0	324.387	4.494	40	30		DIEBRN
O/N=C1\CC/C=C/CC/C=C/CC[C@H]1SC1=NCCS1	ZINC000005535510	181254349	/nfs/dbraw/zinc/25/43/49/181254349.db2.gz	NOMMIJASTOZFRS-KBNKEYBISA-N	0	0	310.488	4.488	40	30		DIEBRN
CCc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1	ZINC000005551563	181256068	/nfs/dbraw/zinc/25/60/68/181256068.db2.gz	RFLHKQISLNYRAV-VBKFSLOCSA-N	0	0	308.406	4.141	40	30		DIEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(C(F)(F)F)cc2)cc1	ZINC000005750212	181280005	/nfs/dbraw/zinc/28/00/05/181280005.db2.gz	GJCKEJAEFBPSDI-GIJQJNRQSA-N	0	0	309.247	4.060	40	30		DIEBRN
COc1ccccc1C=NNc1ccnc2cc(Cl)ccc21	ZINC000006320174	181329985	/nfs/dbraw/zinc/32/99/85/181329985.db2.gz	AYXZGAJJBUIRIV-RGVLZGJSSA-N	0	0	311.772	4.343	40	30		DIEBRN
COc1cc(Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O	ZINC000006453644	181342075	/nfs/dbraw/zinc/34/20/75/181342075.db2.gz	GMWDSPHTGAGYKE-KEBDBYFISA-N	0	0	319.832	4.442	40	30		DIEBRN
CCn1c(C)c(C=NNc2nc3ccccc3[nH]2)c2ccccc21	ZINC000006606275	181360354	/nfs/dbraw/zinc/36/03/54/181360354.db2.gz	INFASVUSYATNIB-UDWIEESQSA-N	0	0	317.396	4.292	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2ccccc2Cl)cc1	ZINC000216807643	201500152	/nfs/dbraw/zinc/50/01/52/201500152.db2.gz	YJWLHQNJXAZNIU-UHFFFAOYSA-N	0	0	302.757	4.262	40	30		DIEBRN
C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC(C)C	ZINC000217764804	201525138	/nfs/dbraw/zinc/52/51/38/201525138.db2.gz	RZIMSVFRDXHKQF-UHFFFAOYSA-N	0	0	315.413	4.347	40	30		DIEBRN
CC(C)(C)c1ccc(/C=N/NC(=S)NC2CCCCC2)cc1	ZINC000008774472	181584810	/nfs/dbraw/zinc/58/48/10/181584810.db2.gz	QGYLEGURKBPMGB-CPNJWEJPSA-N	0	0	317.502	4.115	40	30		DIEBRN
Cc1[nH]nc(N=CC2=CC(=O)CC(C)(C)C2)c1-c1ccccc1	ZINC000009925835	181647853	/nfs/dbraw/zinc/64/78/53/181647853.db2.gz	CMYAAXMWUITTNW-UDWIEESQSA-N	0	0	307.397	4.403	40	30		DIEBRN
N#Cc1cc(Br)ccc1OCc1ccccc1F	ZINC000011799969	181706395	/nfs/dbraw/zinc/70/63/95/181706395.db2.gz	YRWCNKFDLFKVGU-UHFFFAOYSA-N	0	0	306.134	4.039	40	30		DIEBRN
CCSC1=N/C(=C\c2ccc(N(CC)CC)cc2)C(=O)S1	ZINC000013547053	181860364	/nfs/dbraw/zinc/86/03/64/181860364.db2.gz	UNKSMPSLOKUWLD-KAMYIIQDSA-N	0	0	320.483	4.256	40	30		DIEBRN
C=CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1	ZINC000014783755	181970909	/nfs/dbraw/zinc/97/09/09/181970909.db2.gz	QLQUOMCKYXUIHI-UHFFFAOYSA-N	0	0	301.773	4.086	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2cc(OC)ccc2Cl)cc1	ZINC000016216103	182037294	/nfs/dbraw/zinc/03/72/94/182037294.db2.gz	ZEVRKIXAWSNRHS-MDZDMXLPSA-N	0	0	317.772	4.166	40	30		DIEBRN
O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccccc1	ZINC000016450955	182045336	/nfs/dbraw/zinc/04/53/36/182045336.db2.gz	AWZHDAXOIVPZAS-UVTDQMKNSA-N	0	0	314.797	4.232	40	30		DIEBRN
O=C1N=C(Nc2ccc(O)cc2)C(=Cc2ccc(F)cc2)S1	ZINC000016754502	182060280	/nfs/dbraw/zinc/06/02/80/182060280.db2.gz	IMDHDLMMZMEBDH-ZROIWOOFSA-N	0	0	314.341	4.059	40	30		DIEBRN
CC(N)=NOC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000016940982	182064955	/nfs/dbraw/zinc/06/49/55/182064955.db2.gz	DYARXNMLIMAUCA-UHFFFAOYSA-N	0	0	316.404	4.287	40	30		DIEBRN
CC(/C=C\C(=O)c1ccccc1)=C/C=N\N(C)c1ccccc1	ZINC000017064581	182074039	/nfs/dbraw/zinc/07/40/39/182074039.db2.gz	FEUBCKZDHSELCC-VZPLFYKFSA-N	0	0	304.393	4.494	40	30		DIEBRN
CC(=C\C=N/N(C)c1ccccc1)/C=C\C(=O)c1ccccc1	ZINC000017064578	182074043	/nfs/dbraw/zinc/07/40/43/182074043.db2.gz	FEUBCKZDHSELCC-KLBAFRIGSA-N	0	0	304.393	4.494	40	30		DIEBRN
COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(N)c1C#N	ZINC000019212145	182107143	/nfs/dbraw/zinc/10/71/43/182107143.db2.gz	QBVZDPBZHNXMGY-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(CC#N)cc1	ZINC000020046279	182183806	/nfs/dbraw/zinc/18/38/06/182183806.db2.gz	UTPLZPGYJQZACM-OAHLLOKOSA-N	0	0	322.408	4.282	40	30		DIEBRN
CC(C)C1=CC2=C[C@@H](O)[C@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000033833945	182723023	/nfs/dbraw/zinc/72/30/23/182723023.db2.gz	QEAIMIKGLGBTSA-HEFCMCLBSA-N	0	0	316.441	4.097	40	30		DIEBRN
N#Cc1ccc(Br)cc1NCc1ccccc1F	ZINC000039956487	183024312	/nfs/dbraw/zinc/02/43/12/183024312.db2.gz	AWMQCWOWWOMGAX-UHFFFAOYSA-N	0	0	305.150	4.072	40	30		DIEBRN
N#Cc1ccc(Br)cc1NCc1ccc(F)c(F)c1	ZINC000039956519	183024546	/nfs/dbraw/zinc/02/45/46/183024546.db2.gz	TXLPSTQZOICCRN-UHFFFAOYSA-N	0	0	323.140	4.211	40	30		DIEBRN
CC(C)N=Nc1nc2ccc(-c3nc4ncccc4o3)cc2s1	ZINC000040542423	183098310	/nfs/dbraw/zinc/09/83/10/183098310.db2.gz	RFMLHINAGFYQCP-UHFFFAOYSA-N	0	0	323.381	4.307	40	30		DIEBRN
CCCC#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21	ZINC000065739253	184378049	/nfs/dbraw/zinc/37/80/49/184378049.db2.gz	RNMIPUHUAVCLHQ-ZDUSSCGKSA-N	0	0	317.694	4.463	40	30	in-vitro	DIEBRN
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	ZINC000059528130	256539664	/nfs/dbraw/zinc/53/96/64/256539664.db2.gz	GTGHOZSZMIUVEG-RXRZZTMXSA-N	0	0	314.469	4.291	40	30		DIEBRN
O=C1CN(Cc2ccccc2)/C(=N\c2cccc(Cl)c2)S1	ZINC000100609017	256564228	/nfs/dbraw/zinc/56/42/28/256564228.db2.gz	XIZOOHOIMMFLHI-FBMGVBCBSA-N	0	0	316.813	4.103	40	30		DIEBRN
CCOc1ccccc1/N=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000105409772	256581202	/nfs/dbraw/zinc/58/12/02/256581202.db2.gz	UQFOFWIOCSOEER-YVLHZVERSA-N	0	0	304.733	4.398	40	30		DIEBRN
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)/C(=N\O)C[C@]3(C)[C@H]1CC2	ZINC000118928681	256585391	/nfs/dbraw/zinc/58/53/91/256585391.db2.gz	LJAZSAODXRRFRV-PONXZNRVSA-N	0	0	303.446	4.428	40	30		DIEBRN
C#CCn1cc(/C=N/c2oc(C)c(C)c2C#N)c2ccccc21	ZINC000000561457	257219706	/nfs/dbraw/zinc/21/97/06/257219706.db2.gz	CVDRBABMHCPVGC-SRZZPIQSSA-N	0	0	301.349	4.107	40	30		DIEBRN
O=C(/C(=C/c1ccccc1)C(=O)C(F)(F)F)c1ccccc1	ZINC000409354518	257220144	/nfs/dbraw/zinc/22/01/44/257220144.db2.gz	GXUZQXSVSHLXJO-KAMYIIQDSA-N	0	0	304.267	4.084	40	30		DIEBRN
Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccn1	ZINC000409221516	257220982	/nfs/dbraw/zinc/22/09/82/257220982.db2.gz	RKDBYWAHSKJONS-NDENLUEZSA-N	0	0	320.352	4.148	40	30		DIEBRN
C=CCN(C(=O)c1ccc2nc(C)sc2c1)c1ccccc1	ZINC000409188734	257221302	/nfs/dbraw/zinc/22/13/02/257221302.db2.gz	FXLGAXJVGMLHGW-UHFFFAOYSA-N	0	0	308.406	4.438	40	30		DIEBRN
C#CCOc1ccc(CNc2cc(C)ccc2C)cc1OCC	ZINC000409132683	257221866	/nfs/dbraw/zinc/22/18/66/257221866.db2.gz	LHXZYJORIAFANK-UHFFFAOYSA-N	0	0	309.409	4.326	40	30		DIEBRN
C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1O	ZINC000409118889	257222295	/nfs/dbraw/zinc/22/22/95/257222295.db2.gz	VCNDFSGQKSVIAI-UHFFFAOYSA-N	0	0	313.397	4.140	40	30		DIEBRN
C#CCOc1c(Cl)cc(CNc2ccccc2)cc1OCC	ZINC000409114184	257222348	/nfs/dbraw/zinc/22/23/48/257222348.db2.gz	DDOYVQLWHFTCPF-UHFFFAOYSA-N	0	0	315.800	4.363	40	30		DIEBRN
C#CCOc1c(Cl)cc(CNc2cccc(C)c2)cc1OC	ZINC000409117880	257222536	/nfs/dbraw/zinc/22/25/36/257222536.db2.gz	RMLHXHYXENELLP-UHFFFAOYSA-N	0	0	315.800	4.281	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N\c1ccc([N+](=O)[O-])cc1	ZINC000409096042	257222680	/nfs/dbraw/zinc/22/26/80/257222680.db2.gz	FGNQPRWPOFVALY-YVLHZVERSA-N	0	0	304.733	4.398	40	30		DIEBRN
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccccc1	ZINC000409100673	257222687	/nfs/dbraw/zinc/22/26/87/257222687.db2.gz	RJSSGGNMIDNWRN-XSFVSMFZSA-N	0	0	310.397	4.055	40	30		DIEBRN
CCOc1cc2c(cc1/C=N\c1ccccc1SC)OCO2	ZINC000409106507	257222847	/nfs/dbraw/zinc/22/28/47/257222847.db2.gz	SBQSUDGTKGEYBM-ZDLGFXPLSA-N	0	0	315.394	4.287	40	30		DIEBRN
Cc1c(Cl)cccc1/N=C/c1ccc(N2CCOCC2)cc1	ZINC000409083483	257223292	/nfs/dbraw/zinc/22/32/92/257223292.db2.gz	AUYOZSXNRYNEHZ-DEDYPNTBSA-N	0	0	314.816	4.236	40	30		DIEBRN
COc1ccc(C(=O)C=CNc2cc(Cl)ccc2OC)cc1	ZINC000409056891	257223566	/nfs/dbraw/zinc/22/35/66/257223566.db2.gz	FDHXDUXQUVSDJV-MDZDMXLPSA-N	0	0	317.772	4.166	40	30		DIEBRN
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1C	ZINC000409082916	257223583	/nfs/dbraw/zinc/22/35/83/257223583.db2.gz	UENIWLBUDSABGV-WDZFZDKYSA-N	0	0	314.168	4.098	40	30		DIEBRN
Cc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1C	ZINC000409094011	257223714	/nfs/dbraw/zinc/22/37/14/257223714.db2.gz	CHVUNNHBBOFEAX-KGENOOAVSA-N	0	0	308.425	4.199	40	30		DIEBRN
FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(Cl)c1	ZINC000409033182	257224112	/nfs/dbraw/zinc/22/41/12/257224112.db2.gz	NJBXNZDXIOPADI-IPKBDRFQSA-N	0	0	322.611	4.054	40	30		DIEBRN
Cc1nn(-c2ccc(C)cc2)c(C)c1C=NNc1ccccc1	ZINC000408995026	257224778	/nfs/dbraw/zinc/22/47/78/257224778.db2.gz	KUONZCLFVDZTQZ-MOSHPQCFSA-N	0	0	304.397	4.244	40	30		DIEBRN
Cc1cc(N2CCCC2)ccc1/C=N\c1cccc([N+](=O)[O-])c1	ZINC000408960100	257225129	/nfs/dbraw/zinc/22/51/29/257225129.db2.gz	JMAKCUZBSLBMSM-UYRXBGFRSA-N	0	0	309.369	4.254	40	30		DIEBRN
C=CCOc1cccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1	ZINC000408905836	257225838	/nfs/dbraw/zinc/22/58/38/257225838.db2.gz	FMNVOMUMEROOIA-CSKARUKUSA-N	0	0	324.376	4.165	40	30		DIEBRN
Cc1ccc(/N=C\c2cccn2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000408857909	257225987	/nfs/dbraw/zinc/22/59/87/257225987.db2.gz	NNJWGOWTNYSBDS-UYRXBGFRSA-N	0	0	305.337	4.445	40	30		DIEBRN
COC(=O)c1ccc(C)c(/N=C\c2c(C)n(C)c3ccccc23)c1	ZINC000408859080	257226100	/nfs/dbraw/zinc/22/61/00/257226100.db2.gz	WAQSJGCVZOIKTH-MTJSOVHGSA-N	0	0	320.392	4.332	40	30		DIEBRN
C=CCc1cc(/C=N\OCc2ccccc2)cc(OCC)c1O	ZINC000408844799	257226291	/nfs/dbraw/zinc/22/62/91/257226291.db2.gz	DATZLMWYFZPIPC-MOSHPQCFSA-N	0	0	311.381	4.070	40	30		DIEBRN
CCc1ccc(N=C2NC(=O)/C(=C/c3ccsc3)S2)cc1	ZINC000408767463	257226502	/nfs/dbraw/zinc/22/65/02/257226502.db2.gz	XZYFLUFWLYQPSF-ZROIWOOFSA-N	0	0	314.435	4.202	40	30		DIEBRN
Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(C)c3)S2)cc1	ZINC000408760168	257226529	/nfs/dbraw/zinc/22/65/29/257226529.db2.gz	SUOKXHQDIBNSOQ-WJDWOHSUSA-N	0	0	308.406	4.195	40	30		DIEBRN
Cc1cccc(-n2cccc2/C=N/OCc2ccccc2C#N)c1	ZINC000408597402	257229332	/nfs/dbraw/zinc/22/93/32/257229332.db2.gz	YWUDQQOXWVTMSS-HYARGMPZSA-N	0	0	315.376	4.208	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N\OCc1ccccc1C#N	ZINC000408596747	257229424	/nfs/dbraw/zinc/22/94/24/257229424.db2.gz	UBOMEGOITCOHNV-JAIQZWGSSA-N	0	0	314.772	4.161	40	30		DIEBRN
C=CCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1	ZINC000408573393	257229634	/nfs/dbraw/zinc/22/96/34/257229634.db2.gz	DRDIJKKIYGEFJC-UHFFFAOYSA-N	0	0	313.422	4.291	40	30		DIEBRN
COc1cc(Br)cc(OC)c1/N=C\c1ccccc1	ZINC000104207994	257232607	/nfs/dbraw/zinc/23/26/07/257232607.db2.gz	IOEFDDICSQBDBD-YVLHZVERSA-N	0	0	320.186	4.217	40	30		DIEBRN
COc1ccc(OC)c(/C=C/C(=O)c2cccc(Cl)c2)c1	ZINC000071976997	184916954	/nfs/dbraw/zinc/91/69/54/184916954.db2.gz	FBRCIOKZVWWGEF-SOFGYWHQSA-N	0	0	302.757	4.253	40	30		DIEBRN
COc1ccccc1C(=O)/C=C/c1ccc(Br)cc1	ZINC000071977155	184917326	/nfs/dbraw/zinc/91/73/26/184917326.db2.gz	VXSCUAKZEQCRMC-DHZHZOJOSA-N	0	0	317.182	4.354	40	30		DIEBRN
CSc1nsc(S/C=C/C(=O)c2ccc(C)cc2)n1	ZINC000005543387	262502604	/nfs/dbraw/zinc/50/26/04/262502604.db2.gz	RMLOFBYQHKHRND-BQYQJAHWSA-N	0	0	308.453	4.057	40	30		DIEBRN
CCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1	ZINC000002168890	331469032	/nfs/dbraw/zinc/46/90/32/331469032.db2.gz	FPLRAAAFXGKWLJ-UHFFFAOYSA-N	0	0	309.365	4.346	40	30		DIEBRN
COc1ccccc1CNN=Cc1cn(C(C)C)c2ccccc12	ZINC000020763501	333385297	/nfs/dbraw/zinc/38/52/97/333385297.db2.gz	ARBMZJHDOBUTTI-LPYMAVHISA-N	0	0	321.424	4.355	40	30		DIEBRN
C=CCN(CC=C)[C@@H](C(=O)Cc1ccccc1)c1ccccc1	ZINC000001668867	518773183	/nfs/dbraw/zinc/77/31/83/518773183.db2.gz	MCPPUBNEIDNOJX-OAQYLSRUSA-N	0	0	305.421	4.214	40	30		DIEBRN
C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000036021240	519304503	/nfs/dbraw/zinc/30/45/03/519304503.db2.gz	ILGPJZIKYMIGMU-CEGNMAFCSA-N	0	0	314.469	4.435	40	30		DIEBRN
COc1ccc(C(=O)/C=C/Oc2ccc(Cl)c(C)c2)cc1	ZINC000003120684	523538320	/nfs/dbraw/zinc/53/83/20/523538320.db2.gz	WGWQEZDKPWKYTG-MDZDMXLPSA-N	0	0	302.757	4.432	40	30		DIEBRN
N#CCCN(CCC#N)c1ccc(/C=N\c2ccc(F)cc2)cc1	ZINC000018010560	526455677	/nfs/dbraw/zinc/45/56/77/526455677.db2.gz	QAHQLQIMBCMWSR-HAHDFKILSA-N	0	0	320.371	4.210	40	30		DIEBRN
O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccccc3)n2)cc1	ZINC000033389007	527343145	/nfs/dbraw/zinc/34/31/45/527343145.db2.gz	QDUHPOFQZYEJFL-YVLHZVERSA-N	0	0	324.365	4.164	40	30		DIEBRN
O=C(/C=C\c1ccc(OC(=O)c2ccco2)cc1)c1ccccc1	ZINC000013406578	527654738	/nfs/dbraw/zinc/65/47/38/527654738.db2.gz	WLMCFXQYYXNBHT-RAXLEYEMSA-N	0	0	318.328	4.395	40	30		DIEBRN
CC(=O)C(C(=O)c1ccc(C)cc1)=C1SCCCCS1	ZINC000000047375	563211868	/nfs/dbraw/zinc/21/18/68/563211868.db2.gz	RJNNKRLZTAVSLI-UHFFFAOYSA-N	0	0	306.452	4.239	40	30		DIEBRN
N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]1)c1ccccc1Cl	ZINC000000408404	563252083	/nfs/dbraw/zinc/25/20/83/563252083.db2.gz	MNWOTXIILZCRQM-CYBMUJFWSA-N	0	0	323.783	4.025	40	30		DIEBRN
N#CC(C#N)[C@@H](CC(=O)c1cccs1)c1cccc(Cl)c1	ZINC000001262344	563280675	/nfs/dbraw/zinc/28/06/75/563280675.db2.gz	VXSVYNHOEUJBSH-AWEZNQCLSA-N	0	0	314.797	4.421	40	30		DIEBRN
CCCCCCC(=O)/C=C/c1cc(OC)c(OC)cc1OC	ZINC000001572415	563285513	/nfs/dbraw/zinc/28/55/13/563285513.db2.gz	MAJLXUNYAAFIDI-ZHACJKMWSA-N	0	0	306.402	4.265	40	30		DIEBRN
O=C1c2ccccc2C(=O)C(C2CCCCC2)=C1Br	ZINC000001674766	563290459	/nfs/dbraw/zinc/29/04/59/563290459.db2.gz	HOPUSUHKCSGCFQ-UHFFFAOYSA-N	0	0	319.198	4.295	40	30		DIEBRN
Cc1ccc(/C=C2/COC/C(=C/c3ccc(C)cc3)C2=O)cc1	ZINC000001727864	563293695	/nfs/dbraw/zinc/29/36/95/563293695.db2.gz	ATYNPNUVLVKRFM-YZLQMOBTSA-N	0	0	304.389	4.370	40	30		DIEBRN
COc1ccc([C@H]2O[C@]23CC(C)(C)c2ccccc2C3=O)cc1	ZINC000001744806	563294703	/nfs/dbraw/zinc/29/47/03/563294703.db2.gz	SRXZBCFCVYQQHL-QUCCMNQESA-N	0	0	308.377	4.070	40	30		DIEBRN
CCOc1cc(/C=N\O)ccc1OCc1ccc(Cl)cc1	ZINC000100228016	563296499	/nfs/dbraw/zinc/29/64/99/563296499.db2.gz	DJFMVLRRSKMZJZ-ZDLGFXPLSA-N	0	0	305.761	4.126	40	30		DIEBRN
CS/C(=N/C#N)SCn1c2ccccc2sc1=S	ZINC000004244988	563327158	/nfs/dbraw/zinc/32/71/58/563327158.db2.gz	UCMCDSPLGLASQE-RAXLEYEMSA-N	0	0	311.482	4.323	40	30		DIEBRN
N#Cc1c(N)nc2c(c1-c1cccc(Cl)c1Cl)CCCC2	ZINC000035298911	563330885	/nfs/dbraw/zinc/33/08/85/563330885.db2.gz	IHHCPZBTCNJZTL-UHFFFAOYSA-N	0	0	318.207	4.388	40	30		DIEBRN
CCOC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc21	ZINC000013676840	563385453	/nfs/dbraw/zinc/38/54/53/563385453.db2.gz	KDKYSIKLYAPHBH-FYJGNVAPSA-N	0	0	319.360	4.473	40	30		DIEBRN
O=C(C1=C(O)C(=CC=Cc2ccccc2)CCC1)C(F)(F)F	ZINC000100341503	563396477	/nfs/dbraw/zinc/39/64/77/563396477.db2.gz	SSPFXIJJKPIGTK-KVAZYRLTSA-N	0	0	308.299	4.127	40	30		DIEBRN
Fc1ccc(/C=N/CCCC/N=C/c2ccc(F)cc2)cc1	ZINC000016400324	563412219	/nfs/dbraw/zinc/41/22/19/563412219.db2.gz	OLYIMRNPVDFZSN-JFMUQQRKSA-N	0	0	300.352	4.283	40	30		DIEBRN
CCC(C)=CN=Nc1nnc(N=NC=C(C)CC)c2ccccc21	ZINC000031669987	563440635	/nfs/dbraw/zinc/44/06/35/563440635.db2.gz	VTZJNVBINZKWIB-QCBVQWNJSA-N	0	0	322.416	4.358	40	30		DIEBRN
Clc1ccc(/C=N/Oc2ncnc3ccccc32)c(Cl)c1	ZINC000000038039	563498477	/nfs/dbraw/zinc/49/84/77/563498477.db2.gz	GCPXQZMUTYVCSA-DNTJNYDQSA-N	0	0	318.163	4.350	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C\c2ccc3ccccc3c2O)c1	ZINC000100248449	563548638	/nfs/dbraw/zinc/54/86/38/563548638.db2.gz	WYZNRWOBYIRCCK-BKUYFWCQSA-N	0	0	319.360	4.473	40	30		DIEBRN
COc1ccc(/N=C/c2ccc3ccccc3c2O)c(OC)c1	ZINC000100248585	563548742	/nfs/dbraw/zinc/54/87/42/563548742.db2.gz	WRXWTVIYOJTBSI-UDWIEESQSA-N	0	0	307.349	4.313	40	30		DIEBRN
CCCCCCCCOC(=O)O[C@@H](C)C(=O)OCCCC	ZINC000100313432	563549443	/nfs/dbraw/zinc/54/94/43/563549443.db2.gz	KESYLYOVDLLVCB-AWEZNQCLSA-N	0	0	302.411	4.232	40	30		DIEBRN
CCCCCCCCSC(=S)N(CCC#N)CCC#N	ZINC000100934575	563554816	/nfs/dbraw/zinc/55/48/16/563554816.db2.gz	JRIYUBNOKVMDSN-UHFFFAOYSA-N	0	0	311.520	4.494	40	30		DIEBRN
C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1	ZINC000104300573	563563921	/nfs/dbraw/zinc/56/39/21/563563921.db2.gz	DEOWNWVIOCEVCD-UQVDKHRXSA-N	0	0	309.369	4.322	40	30		DIEBRN
C[C@@H](O)[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C[C@@]4(C)[C@@H]3CC[C@]12C	ZINC000104346457	563564329	/nfs/dbraw/zinc/56/43/29/563564329.db2.gz	NQUWVDWNFTXZNH-HPWGRUBNSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC(C=O)=C2O	ZINC000118926558	563593393	/nfs/dbraw/zinc/59/33/93/563593393.db2.gz	LIURKLQQPKKGSQ-ZIEHJRPBSA-N	0	0	318.457	4.011	40	30		DIEBRN
C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12	ZINC000118926366	563593621	/nfs/dbraw/zinc/59/36/21/563593621.db2.gz	HZWZHWTZLZZBFF-ZONWEYJDSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118929994	563593966	/nfs/dbraw/zinc/59/39/66/563593966.db2.gz	BRQAXEKVGOTNJM-MPRNQXESSA-N	0	0	300.442	4.045	40	30		DIEBRN
N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccccc1	ZINC000225854011	563603618	/nfs/dbraw/zinc/60/36/18/563603618.db2.gz	IRPRMEXNWKTIFF-UHFFFAOYSA-N	0	0	321.811	4.234	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NC2(CC)CCCC2)c1	ZINC000225868710	563604545	/nfs/dbraw/zinc/60/45/45/563604545.db2.gz	ZSJWYIGXDBQJLP-UHFFFAOYSA-N	0	0	304.459	4.261	40	30		DIEBRN
CCOC(=O)c1ccc(N=Cc2c(O)ccc3ccccc32)cc1	ZINC000254398447	563614445	/nfs/dbraw/zinc/61/44/45/563614445.db2.gz	CWWAKPGLKRKXRP-UHFFFAOYSA-N	0	0	319.360	4.473	40	30		DIEBRN
O=[N+]([O-])c1ccc(Cl)c(/C=N/NCc2ccccc2Cl)c1	ZINC000008811501	563638625	/nfs/dbraw/zinc/63/86/25/563638625.db2.gz	WXBSKBKZXXRHPF-GIJQJNRQSA-N	0	0	324.167	4.025	40	30		DIEBRN
O=[N+]([O-])c1cc(/C=N/NCc2ccccc2Cl)ccc1Cl	ZINC000008811500	563638646	/nfs/dbraw/zinc/63/86/46/563638646.db2.gz	WDORUGOWWDHMLB-CAOOACKPSA-N	0	0	324.167	4.025	40	30		DIEBRN
Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccc(F)cc2)c1	ZINC000225882899	563645896	/nfs/dbraw/zinc/64/58/96/563645896.db2.gz	BDLARPWWNNYZFS-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccccc1	ZINC000225881818	563645973	/nfs/dbraw/zinc/64/59/73/563645973.db2.gz	IEXOZLWXHXMPSM-UHFFFAOYSA-N	0	0	323.783	4.436	40	30		DIEBRN
N#Cc1cc(N)c(Sc2ccccc2)n1Cc1ccc(F)cc1	ZINC000225888035	563649293	/nfs/dbraw/zinc/64/92/93/563649293.db2.gz	RLWPKQNGJOOUMF-UHFFFAOYSA-N	0	0	323.396	4.281	40	30		DIEBRN
Clc1ccc(CN/N=C/c2ccc(Br)cc2)cc1	ZINC000010118827	563652183	/nfs/dbraw/zinc/65/21/83/563652183.db2.gz	VZJRGWGIKUOLLR-RQZCQDPDSA-N	0	0	323.621	4.226	40	30		DIEBRN
C=C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C	ZINC000118933868	563689750	/nfs/dbraw/zinc/68/97/50/563689750.db2.gz	YPVUHOBTCWJYNQ-SWBPCFCJSA-N	0	0	300.442	4.189	40	30		DIEBRN
C=CCc1cc2c(c(OC)c1)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C	ZINC000049181130	563700923	/nfs/dbraw/zinc/70/09/23/563700923.db2.gz	JETDBUNSPWMQCY-HXPMCKFVSA-N	0	0	324.376	4.390	40	30	biogenic,in-vitro	DIEBRN
O=C(/C=C\c1c(F)cccc1Cl)c1ccc2c(c1)OCCO2	ZINC000211799573	563723335	/nfs/dbraw/zinc/72/33/35/563723335.db2.gz	WNCPZGDGVFGNEV-WAYWQWQTSA-N	0	0	318.731	4.146	40	30		DIEBRN
CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(CC#N)cc1	ZINC000222950085	563730069	/nfs/dbraw/zinc/73/00/69/563730069.db2.gz	QQJITJFIRRPLNN-GOSISDBHSA-N	0	0	322.408	4.166	40	30		DIEBRN
CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(CC#N)cc1	ZINC000222950127	563730072	/nfs/dbraw/zinc/73/00/72/563730072.db2.gz	QQJITJFIRRPLNN-SFHVURJKSA-N	0	0	322.408	4.166	40	30		DIEBRN
Clc1ccc(-c2csc(N=NCc3cccnc3)n2)cc1	ZINC000031904279	563769111	/nfs/dbraw/zinc/76/91/11/563769111.db2.gz	CQOKTEJQLSCHFO-NVMNQCDNSA-N	0	0	314.801	4.305	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C/c2cccn2-c2ccccc2)cc1	ZINC000059249814	563771015	/nfs/dbraw/zinc/77/10/15/563771015.db2.gz	NNILSPSOHXTSJL-XSFVSMFZSA-N	0	0	303.365	4.186	40	30		DIEBRN
C=CCn1c(=S)n(CNc2ccccc2)nc1-c1ccccc1	ZINC000059484582	563771488	/nfs/dbraw/zinc/77/14/88/563771488.db2.gz	VKUDXZSTKSTSDU-UHFFFAOYSA-N	0	0	322.437	4.337	40	30		DIEBRN
CC(=O)Nc1ccc(N=Cc2ccc3ccccc3c2O)cc1	ZINC000260840541	563781478	/nfs/dbraw/zinc/78/14/78/563781478.db2.gz	BCODDLVNFWRPHK-UHFFFAOYSA-N	0	0	304.349	4.254	40	30		DIEBRN
COc1ccc(N=Cc2ccc3ccccc3c2O)c(OC)c1	ZINC000260840666	563781739	/nfs/dbraw/zinc/78/17/39/563781739.db2.gz	WRXWTVIYOJTBSI-UHFFFAOYSA-N	0	0	307.349	4.313	40	30		DIEBRN
CCOC(=O)/C=C/c1ccc(N=Cc2ccc(OC)cc2)cc1	ZINC000254737408	563785320	/nfs/dbraw/zinc/78/53/20/563785320.db2.gz	FMNNRRPDXZWUAE-KGCZTCBMSA-N	0	0	309.365	4.022	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)C[C@]3(C)CC[C@@H]21	ZINC000008622668	563835184	/nfs/dbraw/zinc/83/51/84/563835184.db2.gz	DGQZPNNDBCCCRJ-JMMIECQRSA-N	0	0	312.453	4.468	40	30		DIEBRN
C=C1N(c2nc(Cl)nc(Cl)n2)c2ccccc2C1(C)C	ZINC000001865805	563841840	/nfs/dbraw/zinc/84/18/40/563841840.db2.gz	AVJBTJCHKGLXOQ-UHFFFAOYSA-N	0	0	307.184	4.121	40	30		DIEBRN
CN(C)c1ccc(/C=N/c2ccc(-c3csc(N)n3)cc2)cc1	ZINC000101670293	563851057	/nfs/dbraw/zinc/85/10/57/563851057.db2.gz	WJSXNDOZZOSENA-RGVLZGJSSA-N	0	0	322.437	4.209	40	30		DIEBRN
C=CCc1cc(C(=O)N(C)Cc2ccc(C)cc2)ccc1OC	ZINC000030855732	563857693	/nfs/dbraw/zinc/85/76/93/563857693.db2.gz	DHCSSQZSKKPCGA-UHFFFAOYSA-N	0	0	309.409	4.004	40	30		DIEBRN
N#Cc1c(Cl)nc2c(c1C#N)CCC/C2=C/c1ccccc1	ZINC000035325251	563864005	/nfs/dbraw/zinc/86/40/05/563864005.db2.gz	JFMGUHOOMJZWPT-LCYFTJDESA-N	0	0	305.768	4.355	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000226257865	563913173	/nfs/dbraw/zinc/91/31/73/563913173.db2.gz	ZWGUPMFWGKTENI-GQCTYLIASA-N	0	0	321.159	4.443	40	30		DIEBRN
C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CCC(C)CC1	ZINC000226278670	563913611	/nfs/dbraw/zinc/91/36/11/563913611.db2.gz	NZYVLFHEUUPCLD-UHFFFAOYSA-N	0	0	324.424	4.056	40	30		DIEBRN
C[C@@H]1CCCC(=CNc2ccc(Br)cc2F)C1=O	ZINC000106851318	563924691	/nfs/dbraw/zinc/92/46/91/563924691.db2.gz	BYJDQIUHKUMLFR-URLRMUCDSA-N	0	0	312.182	4.273	40	30		DIEBRN
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(N2CCCC2)cc1	ZINC000197811636	563924715	/nfs/dbraw/zinc/92/47/15/563924715.db2.gz	YLTWRUBWHCDVJE-CPNJWEJPSA-N	0	0	309.369	4.254	40	30		DIEBRN
N#Cc1cc([N+](=O)[O-])ccc1Nc1ccccc1OC(F)(F)F	ZINC000008703016	563927483	/nfs/dbraw/zinc/92/74/83/563927483.db2.gz	QRPZHKDAMIYVBK-UHFFFAOYSA-N	0	0	323.230	4.109	40	30		DIEBRN
N#Cc1cc(Br)c(-c2ccccc2F)nc1Cl	ZINC000257197710	563928202	/nfs/dbraw/zinc/92/82/02/563928202.db2.gz	GVHRQMGLLNFCFE-UHFFFAOYSA-N	0	0	311.541	4.175	40	30		DIEBRN
N#Cc1ccc(OCc2ccccc2F)c(Br)c1	ZINC000011958344	563928447	/nfs/dbraw/zinc/92/84/47/563928447.db2.gz	KKKLDOCQZFFTMH-UHFFFAOYSA-N	0	0	306.134	4.039	40	30		DIEBRN
CCCN=C(Cl)CCc1c(C)[nH]c2c(C)cccc2c1=O	ZINC000227148791	563941321	/nfs/dbraw/zinc/94/13/21/563941321.db2.gz	TYSIKWFXAHNQOM-CYVLTUHYSA-N	0	0	304.821	4.125	40	30		DIEBRN
C=CC[C@]1(O)C[C@@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1CCC	ZINC000102750030	568414160	/nfs/dbraw/zinc/41/41/60/568414160.db2.gz	HAJGRIJELRSGMX-LNMJFAINSA-N	0	0	315.413	4.372	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NCCSC(C)(C)C)c1	ZINC000225352258	1044420663	/nfs/dbraw/zinc/42/06/63/1044420663.db2.gz	HEMCLXCYPMNQOY-UHFFFAOYSA-N	0	0	324.515	4.070	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NC2CCCCCC2)c1	ZINC000225354063	1044422764	/nfs/dbraw/zinc/42/27/64/1044422764.db2.gz	NQVATBCTCUCNQG-UHFFFAOYSA-N	0	0	304.459	4.261	40	30		DIEBRN
Cc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1Cl	ZINC000006332978	1056060705	/nfs/dbraw/zinc/06/07/05/1056060705.db2.gz	UOLFLYQLBVOCTI-UHFFFAOYSA-N	0	0	301.802	4.329	40	30		DIEBRN
CC1=C(N=Nc2c(O)cccc2O)C(=O)[C@@H](c2ccccc2)[C@H]1C	ZINC001554504443	1058523793	/nfs/dbraw/zinc/52/37/93/1058523793.db2.gz	RYOGOYHSPISXMH-UWQPBCOBSA-N	0	0	322.364	4.458	40	30		DIEBRN
Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(CC#N)cc1	ZINC000225753039	201741648	/nfs/dbraw/zinc/74/16/48/201741648.db2.gz	CZJAYJAIAJZDKA-AWEZNQCLSA-N	0	0	309.438	4.109	40	30		DIEBRN
Cc1cccc(Cn2c(C#N)cc(N)c2Oc2cccc(C)c2)c1	ZINC000225880069	201758655	/nfs/dbraw/zinc/75/86/55/201758655.db2.gz	RAAVCHLPYSIIDJ-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccc(F)cc2)cc1	ZINC000225882911	201759038	/nfs/dbraw/zinc/75/90/38/201759038.db2.gz	CCUBKORQXLRLEX-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
O=C(Nc1ccccc1)O/N=C(/c1ccccc1)c1ccccn1	ZINC000000439103	180791088	/nfs/dbraw/zinc/79/10/88/180791088.db2.gz	FNWSGRZAEJCCPI-PYCFMQQDSA-N	0	0	317.348	4.083	40	30		DIEBRN
CCc1ccccc1NC1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000001613759	180879314	/nfs/dbraw/zinc/87/93/14/180879314.db2.gz	MKESTAOBWPXLTD-UHFFFAOYSA-N	0	0	311.768	4.191	40	30		DIEBRN
C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000002150854	180912827	/nfs/dbraw/zinc/91/28/27/180912827.db2.gz	YMYZFEUFVGKZEM-DZHBWKGWSA-N	0	0	301.474	4.406	40	30		DIEBRN
CCOc1ccc(C(C)N=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000004181485	181082389	/nfs/dbraw/zinc/08/23/89/181082389.db2.gz	XXTFCJMYQCVCSQ-SRZZPIQSSA-N	0	0	323.318	4.335	40	30		DIEBRN
COc1ccc2c(c1)CC[C@H]1C2=CC(=O)C[C@H]1c1ccccc1	ZINC000004293007	181093903	/nfs/dbraw/zinc/09/39/03/181093903.db2.gz	DIXQISWGQZORSL-UXHICEINSA-N	0	0	304.389	4.398	40	30		DIEBRN
Cc1c(C#N)c2ccccc2n1CC(=O)Nc1ccc(C)cc1C	ZINC000004450120	181109966	/nfs/dbraw/zinc/10/99/66/181109966.db2.gz	CHXRSZJCWJGWTK-UHFFFAOYSA-N	0	0	317.392	4.077	40	30		DIEBRN
CSc1sc(C)cc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000004855203	181163857	/nfs/dbraw/zinc/16/38/57/181163857.db2.gz	GGHNHQYSJIQPNE-RIYZIHGNSA-N	0	0	307.400	4.133	40	30		DIEBRN
C[C@]12CC[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O	ZINC000004915812	181172423	/nfs/dbraw/zinc/17/24/23/181172423.db2.gz	AFPIIHADHDYTNM-PLOWYNNNSA-N	0	0	304.405	4.180	40	30		DIEBRN
COc1ccc(C=NNc2cc(C)nc3c(C)cccc23)cc1	ZINC000005006970	181189796	/nfs/dbraw/zinc/18/97/96/181189796.db2.gz	IIXNYNKYJQIFJG-UDWIEESQSA-N	0	0	305.381	4.306	40	30		DIEBRN
COc1cccc2c(NN=Cc3ccccc3F)cc(C)nc12	ZINC000005007018	181189953	/nfs/dbraw/zinc/18/99/53/181189953.db2.gz	MZZFAJLYIIWPGF-RGVLZGJSSA-N	0	0	309.344	4.137	40	30		DIEBRN
COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1	ZINC000005127977	181207041	/nfs/dbraw/zinc/20/70/41/181207041.db2.gz	MZGZWEDIOIEKMI-CMDGGOBGSA-N	0	0	317.182	4.354	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)[C@@H](O)C[C@H]2C(C)(C)CCC[C@]12C	ZINC000005179506	181213879	/nfs/dbraw/zinc/21/38/79/181213879.db2.gz	ANTWOQSCTZFYJO-HROONELDSA-N	0	0	306.490	4.473	40	30		DIEBRN
C=CC[C@@]1(O)C[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H]1CCC	ZINC000005216270	181217838	/nfs/dbraw/zinc/21/78/38/181217838.db2.gz	HAJGRIJELRSGMX-ILRDRHFLSA-N	0	0	315.413	4.372	40	30		DIEBRN
Fc1c(F)c(F)c(N=NC(Cl)c2ccccc2)c(F)c1F	ZINC000005368816	181235302	/nfs/dbraw/zinc/23/53/02/181235302.db2.gz	QUDXRTIJIYLHSO-BKUYFWCQSA-N	0	0	320.648	4.395	40	30		DIEBRN
CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2)S1	ZINC000005376260	181236019	/nfs/dbraw/zinc/23/60/19/181236019.db2.gz	YNLYYYOSLLDBJW-VBKFSLOCSA-N	0	0	308.406	4.141	40	30		DIEBRN
Cn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21	ZINC000005337990	181230952	/nfs/dbraw/zinc/23/09/52/181230952.db2.gz	YZAHALFQYGBPCN-VCHYOVAHSA-N	0	0	306.394	4.234	40	30		DIEBRN
CC[P@+](CCC(=O)[O-])(Cc1cccc(C)c1)c1ccccc1	ZINC000005339957	181231687	/nfs/dbraw/zinc/23/16/87/181231687.db2.gz	OOJQNNQFYXHBRO-QFIPXVFZSA-O	0	0	315.373	4.333	40	30		DIEBRN
CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C	ZINC000005497532	181249974	/nfs/dbraw/zinc/24/99/74/181249974.db2.gz	ANJQEDFWRSLVBR-VHUDCFPWSA-N	0	0	302.458	4.125	40	30	world	DIEBRN
CC(=CCc1ccc(N(C)C)cc1)N=Nc1ccc([N+](=O)[O-])cc1	ZINC000005620767	181264514	/nfs/dbraw/zinc/26/45/14/181264514.db2.gz	FYMBQEUWHCOCAG-GASRLDRTSA-N	0	0	324.384	4.162	40	30		DIEBRN
O=C(/C=C\c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000005722956	181276782	/nfs/dbraw/zinc/27/67/82/181276782.db2.gz	IATWJBXMYUEPMS-BENRWUELSA-N	0	0	319.316	4.350	40	30		DIEBRN
C=CCN(CC=C)C(=S)Nc1ccc(Cl)cc1Cl	ZINC000006261999	181324084	/nfs/dbraw/zinc/32/40/84/181324084.db2.gz	FCIHKHOMNHAPRP-UHFFFAOYSA-N	0	0	301.242	4.364	40	30		DIEBRN
FC(F)(F)c1cccc(NC(=S)N/N=C/c2ccccc2)c1	ZINC000006514347	181348786	/nfs/dbraw/zinc/34/87/86/181348786.db2.gz	PWPJQGSQMYXZBN-VXLYETTFSA-N	0	0	323.343	4.026	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1	ZINC000219789260	201562863	/nfs/dbraw/zinc/56/28/63/201562863.db2.gz	QBZDPXXMJNTDHN-HXUWFJFHSA-N	0	0	321.420	4.449	40	30		DIEBRN
C=CCc1cc(C(=O)NC(C)(C)Cc2ccccc2)ccc1OC	ZINC000224132394	201670059	/nfs/dbraw/zinc/67/00/59/201670059.db2.gz	HIUOMGUZHMGHGZ-UHFFFAOYSA-N	0	0	323.436	4.175	40	30		DIEBRN
CC[C@H](Sc1cccs1)C(=O)Nc1ccccc1C#N	ZINC000261526764	203075983	/nfs/dbraw/zinc/07/59/83/203075983.db2.gz	JUMNGXFDKMTNRW-ZDUSSCGKSA-N	0	0	302.424	4.129	40	30		DIEBRN
CC(=O)c1sc(N=NC2C[C@@H]3CC[C@@]2(C)C3(C)C)nc1C	ZINC000013563207	181862583	/nfs/dbraw/zinc/86/25/83/181862583.db2.gz	JBCYEYAVFXOGBX-XXZRYNLFSA-N	0	0	305.447	4.268	40	30		DIEBRN
FC(F)(F)c1cccc(/C=N/NC(=S)Nc2ccccc2)c1	ZINC000014017322	181920353	/nfs/dbraw/zinc/92/03/53/181920353.db2.gz	CQSDFCFNXROSOV-VXLYETTFSA-N	0	0	323.343	4.026	40	30		DIEBRN
CCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016889816	182062610	/nfs/dbraw/zinc/06/26/10/182062610.db2.gz	CKSQXBGUQMIXAQ-RVDMUPIBSA-N	0	0	308.338	4.261	40	30		DIEBRN
CCOC(=O)/C(=C/c1ccc(Cl)cc1)C(=O)c1ccccc1	ZINC000016682024	182057454	/nfs/dbraw/zinc/05/74/54/182057454.db2.gz	HXBYENIUYIFHLG-FOWTUZBSSA-N	0	0	314.768	4.169	40	30		DIEBRN
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N=[N+]=[N-]	ZINC000016942287	182065183	/nfs/dbraw/zinc/06/51/83/182065183.db2.gz	WZUPLJLQJKETBT-UHFFFAOYSA-N	0	0	310.235	4.372	40	30		DIEBRN
Cc1ccc(/C=C2\COC/C(=C\c3ccc(C)cc3)C2=O)cc1	ZINC000016955559	182065551	/nfs/dbraw/zinc/06/55/51/182065551.db2.gz	ATYNPNUVLVKRFM-AYKLPDECSA-N	0	0	304.389	4.370	40	30		DIEBRN
O=C(/C=C/c1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000016973403	182067267	/nfs/dbraw/zinc/06/72/67/182067267.db2.gz	MDPNIEWCQQIJPW-JXMROGBWSA-N	0	0	304.305	4.039	40	30		DIEBRN
O=C1C[C@@H](c2ccccc2F)CC2=Nc3ccccc3N=CC12	ZINC000017031296	182069009	/nfs/dbraw/zinc/06/90/09/182069009.db2.gz	QRQITFRTTQZLFM-LBPRGKRZSA-N	0	0	306.340	4.354	40	30		DIEBRN
O=[N+]([O-])c1ccccc1N=NCc1c(Cl)[nH]c2ccccc21	ZINC000017062432	182074266	/nfs/dbraw/zinc/07/42/66/182074266.db2.gz	JPDFUQLGNIUXNO-RQZCQDPDSA-N	0	0	314.732	4.176	40	30		DIEBRN
COc1ccc(/C=C2/C/C(=C/c3ccc(OC)cc3)C2=O)cc1	ZINC000017104777	182075182	/nfs/dbraw/zinc/07/51/82/182075182.db2.gz	MIRDYOPYSWHVBG-LSQIQBGYSA-N	0	0	306.361	4.144	40	30		DIEBRN
C#Cc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1	ZINC000020156985	182193160	/nfs/dbraw/zinc/19/31/60/182193160.db2.gz	IIOGLSSZKRHRPG-UHFFFAOYSA-N	0	0	311.384	4.439	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1	ZINC000020672505	182242092	/nfs/dbraw/zinc/24/20/92/182242092.db2.gz	IWENHLHZENGRHS-IBGZPJMESA-N	0	0	317.392	4.223	40	30		DIEBRN
CC(N=Nc1ccc(Cl)nn1)c1ccc(Cl)cc1Cl	ZINC000020757139	182245890	/nfs/dbraw/zinc/24/58/90/182245890.db2.gz	CSNCMHAOCAGPTM-FRKPEAEDSA-N	0	0	315.591	4.273	40	30		DIEBRN
COc1ccc(C(=O)c2ccccc2-c2ccc(C#N)cc2)cc1	ZINC000026897580	182457386	/nfs/dbraw/zinc/45/73/86/182457386.db2.gz	BBUVWZVVDZZMKE-UHFFFAOYSA-N	0	0	313.356	4.465	40	30		DIEBRN
N#Cc1c(NC(=O)Nc2ccc(F)cc2F)sc2c1CCC2	ZINC000027922926	182498051	/nfs/dbraw/zinc/49/80/51/182498051.db2.gz	CJZQHXMFDNPVCS-UHFFFAOYSA-N	0	0	319.336	4.031	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)C[C@@]3(C)CC[C@@H]21	ZINC000033792680	182722780	/nfs/dbraw/zinc/72/27/80/182722780.db2.gz	DGQZPNNDBCCCRJ-DXUGQKIESA-N	0	0	312.453	4.468	40	30		DIEBRN
Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCCC2)cc1	ZINC000036293405	182812967	/nfs/dbraw/zinc/81/29/67/182812967.db2.gz	KACISOFPYPPVQQ-UHFFFAOYSA-N	0	0	323.465	4.044	40	30		DIEBRN
N#Cc1cn(Cc2cccc(Br)c2)c2ccccc12	ZINC000041546511	183201825	/nfs/dbraw/zinc/20/18/25/183201825.db2.gz	ZQAQVWCAVAHSSY-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
C#CCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21	ZINC000058818601	184129259	/nfs/dbraw/zinc/12/92/59/184129259.db2.gz	YJHRAMBRAXKMLZ-UHFFFAOYSA-N	0	0	301.345	4.000	40	30		DIEBRN
N#CCCN(CCC#N)c1ccc(/C=N/c2ccc(F)cc2)cc1	ZINC000104275647	256578967	/nfs/dbraw/zinc/57/89/67/256578967.db2.gz	QAHQLQIMBCMWSR-HZHRSRAPSA-N	0	0	320.371	4.210	40	30		DIEBRN
Cc1ccc(C(=O)Cc2nc3ccccc3sc2=O)c(C)c1	ZINC000100947157	256567212	/nfs/dbraw/zinc/56/72/12/256567212.db2.gz	ZGLAYWKVRWVHGA-GDNBJRDFSA-N	0	0	309.390	4.114	40	30		DIEBRN
N#Cc1c(N)nc(Cc2ccccc2)cc1-c1ccc(Cl)cc1	ZINC000039377211	257217488	/nfs/dbraw/zinc/21/74/88/257217488.db2.gz	PKJMAVMEOLHCFA-UHFFFAOYSA-N	0	0	319.795	4.447	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OC	ZINC000409218626	257220536	/nfs/dbraw/zinc/22/05/36/257220536.db2.gz	WKZSLRABBMEMCC-UDWIEESQSA-N	0	0	313.784	4.420	40	30		DIEBRN
COc1cccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)c1	ZINC000409236984	257220538	/nfs/dbraw/zinc/22/05/38/257220538.db2.gz	UDSRGCRLFGBIEA-FYJGNVAPSA-N	0	0	305.381	4.248	40	30		DIEBRN
Cc1ccsc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O	ZINC000409209074	257220601	/nfs/dbraw/zinc/22/06/01/257220601.db2.gz	FJAYINXOYMMGES-TVSYJCFYSA-N	0	0	308.472	4.146	40	30		DIEBRN
Fc1cc(/C=N\c2ccccc2Cl)ccc1N1CCOCC1	ZINC000409132780	257221706	/nfs/dbraw/zinc/22/17/06/257221706.db2.gz	JZPTURNOPYILSE-NDENLUEZSA-N	0	0	318.779	4.066	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(C)cc2C)cc1OCC	ZINC000409120825	257222140	/nfs/dbraw/zinc/22/21/40/257222140.db2.gz	UVYWXEWLIKHROD-UHFFFAOYSA-N	0	0	309.409	4.326	40	30		DIEBRN
C=CCc1cc(CO)cc(OCC)c1OCc1cccc(F)c1	ZINC000409115979	257222409	/nfs/dbraw/zinc/22/24/09/257222409.db2.gz	KMMHCAUTJGGIBW-UHFFFAOYSA-N	0	0	316.372	4.024	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(CC)cc2)cc1OCC	ZINC000409111462	257222686	/nfs/dbraw/zinc/22/26/86/257222686.db2.gz	CVVCYRNLJBGTQM-UHFFFAOYSA-N	0	0	309.409	4.272	40	30		DIEBRN
C=CCOc1cccc(/C=C2\Sc3ccccc3NC2=O)c1	ZINC000409107804	257223107	/nfs/dbraw/zinc/22/31/07/257223107.db2.gz	QTJSGSQTBBOGRX-ATVHPVEESA-N	0	0	309.390	4.337	40	30		DIEBRN
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C)cc1	ZINC000409104362	257223162	/nfs/dbraw/zinc/22/31/62/257223162.db2.gz	YGWDLDFHULQJNE-KGENOOAVSA-N	0	0	324.424	4.363	40	30		DIEBRN
COc1cc2c(cc1/C=N\c1cc(Cl)ccc1C)OCO2	ZINC000409075819	257223360	/nfs/dbraw/zinc/22/33/60/257223360.db2.gz	YGIYEQFGYLYQLD-LSCVHKIXSA-N	0	0	303.745	4.136	40	30		DIEBRN
COc1cc2c(cc1/C=N/c1ccc(Cl)cc1Cl)OCO2	ZINC000409070222	257223599	/nfs/dbraw/zinc/22/35/99/257223599.db2.gz	DYDCFUBZMBXXBJ-CNHKJKLMSA-N	0	0	324.163	4.481	40	30		DIEBRN
Cc1sc(N=NC(C)c2ccncc2)nc1-c1ccccc1	ZINC000409052067	257224070	/nfs/dbraw/zinc/22/40/70/257224070.db2.gz	HZCMMSKRJOXXGZ-UDWIEESQSA-N	0	0	308.410	4.350	40	30		DIEBRN
C=CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1	ZINC000409013378	257224391	/nfs/dbraw/zinc/22/43/91/257224391.db2.gz	NDXHZYQDEJSMEU-YGRGUWMTSA-N	0	0	317.410	4.086	40	30		DIEBRN
O=[N+]([O-])c1ccc(N2CCCCC2)c(C=[NH+][N-]c2ccccc2)c1	ZINC000409002648	257224811	/nfs/dbraw/zinc/22/48/11/257224811.db2.gz	VXVLCABWGJPIPC-XMHGGMMESA-N	0	0	324.384	4.031	40	30		DIEBRN
Cc1cc(N2CCCC2)ccc1/C=N\c1ccc([N+](=O)[O-])cc1	ZINC000408960289	257225254	/nfs/dbraw/zinc/22/52/54/257225254.db2.gz	KTDBDHUETDBRTK-UYRXBGFRSA-N	0	0	309.369	4.254	40	30		DIEBRN
COC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)c(C)c1	ZINC000408844881	257226077	/nfs/dbraw/zinc/22/60/77/257226077.db2.gz	DEZBNQRSCSCYHZ-MTJSOVHGSA-N	0	0	320.392	4.332	40	30		DIEBRN
Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1C	ZINC000408773283	257226473	/nfs/dbraw/zinc/22/64/73/257226473.db2.gz	QKSFVBHZEAQULW-RQZCQDPDSA-N	0	0	305.219	4.463	40	30		DIEBRN
N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000408759586	257226718	/nfs/dbraw/zinc/22/67/18/257226718.db2.gz	HNPQXOJDFFSXDR-RYRKJORJSA-N	0	0	317.348	4.293	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C)ccc1C	ZINC000408739837	257227492	/nfs/dbraw/zinc/22/74/92/257227492.db2.gz	GAXILIOMULJESY-XNHPLOEXSA-N	0	0	305.381	4.045	40	30		DIEBRN
CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1F	ZINC000408707309	257228381	/nfs/dbraw/zinc/22/83/81/257228381.db2.gz	MROFNCWICCJBEZ-UHFFFAOYSA-N	0	0	322.424	4.021	40	30		DIEBRN
C=CCOc1cccc(C=NNc2nc3ccccc3n2CC)c1	ZINC000408692129	257228539	/nfs/dbraw/zinc/22/85/39/257228539.db2.gz	DZCAIZLIHNXNNB-XSFVSMFZSA-N	0	0	320.396	4.067	40	30		DIEBRN
C=CCc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OC	ZINC000408703472	257228579	/nfs/dbraw/zinc/22/85/79/257228579.db2.gz	SFOCWNMJCBZHAI-UHFFFAOYSA-N	0	0	311.381	4.075	40	30		DIEBRN
CCc1ccc(C(C)=NNc2nc3ccccc3n2CC)cc1	ZINC000408692433	257228744	/nfs/dbraw/zinc/22/87/44/257228744.db2.gz	MHIJDLDJIHNHFZ-STZFKDTASA-N	0	0	306.413	4.455	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OC	ZINC000408605934	257229183	/nfs/dbraw/zinc/22/91/83/257229183.db2.gz	HNEQIZHGOGEHGA-UHFFFAOYSA-N	0	0	319.763	4.112	40	30		DIEBRN
C=CCOc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1	ZINC000408603250	257229335	/nfs/dbraw/zinc/22/93/35/257229335.db2.gz	BRIDJGFVWUXBOZ-UHFFFAOYSA-N	0	0	318.760	4.425	40	30		DIEBRN
CCc1sc(CC#N)nc1-c1ccc(Br)cc1	ZINC000408578747	257229825	/nfs/dbraw/zinc/22/98/25/257229825.db2.gz	AOLZWCISGPKTRD-UHFFFAOYSA-N	0	0	307.216	4.201	40	30		DIEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1cccc(F)c1	ZINC000100250339	257230938	/nfs/dbraw/zinc/23/09/38/257230938.db2.gz	QWQSTQAGQZAFOM-OCKHKDLRSA-N	0	0	323.751	4.265	40	30		DIEBRN
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1	ZINC000100250331	257230940	/nfs/dbraw/zinc/23/09/40/257230940.db2.gz	OJVYTPVTWRTPNI-ZDLGFXPLSA-N	0	0	305.761	4.126	40	30		DIEBRN
CCCC/N=C1\S/C(=C/c2ccc(C)o2)C(=O)N1CCCC	ZINC000005552205	257231468	/nfs/dbraw/zinc/23/14/68/257231468.db2.gz	KQXSOLFLUVGZTO-WBZXNMJOSA-N	0	0	320.458	4.461	40	30		DIEBRN
CC/N=C1\S/C(=C/c2cccc3ccccc23)C(=O)N1CC	ZINC000005552173	257231499	/nfs/dbraw/zinc/23/14/99/257231499.db2.gz	GJEWFQKEXVDIPF-BOXNHUFISA-N	0	0	310.422	4.152	40	30		DIEBRN
C=CCOc1ccc(CNc2ccc(OCC)cc2)cc1OC	ZINC000237025966	257214001	/nfs/dbraw/zinc/21/40/01/257214001.db2.gz	JJBUILRGASYUAP-UHFFFAOYSA-N	0	0	313.397	4.271	40	30		DIEBRN
CC[C@@H](C)Oc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000016610480	331568358	/nfs/dbraw/zinc/56/83/58/331568358.db2.gz	GKRJFXQKONGZJM-FDIDITGRSA-N	0	0	313.357	4.218	40	30		DIEBRN
N#Cc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000071761861	331922821	/nfs/dbraw/zinc/92/28/21/331922821.db2.gz	MEIMEAIYLASHTP-UHFFFAOYSA-N	0	0	321.327	4.386	40	30		DIEBRN
CSC(=NC#N)SCSc1nc2ccccc2s1	ZINC000255993154	333800127	/nfs/dbraw/zinc/80/01/27/333800127.db2.gz	OTWXBTPLDVHTLZ-UHFFFAOYSA-N	0	0	311.482	4.279	40	30		DIEBRN
C[C@@H]1C[C@@H]2C(=CC1=O)CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12	ZINC000263600094	333945802	/nfs/dbraw/zinc/94/58/02/333945802.db2.gz	JQIGNJUHWXILBM-IIDDBFAYSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C\CO	ZINC000263601266	333945832	/nfs/dbraw/zinc/94/58/32/333945832.db2.gz	KXVALZPKSDUKFU-NHHXEMACSA-N	0	0	312.453	4.357	40	30		DIEBRN
CC(C)CCn1ncc(NC(=O)N[C@@H]2CC=CCC2)c1C(C)C	ZINC000331141012	334839111	/nfs/dbraw/zinc/83/91/11/334839111.db2.gz	XAUSIIYQMXHYHZ-OAHLLOKOSA-N	0	0	318.465	4.487	40	30		DIEBRN
CC(=NOC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1	ZINC000016137250	518470640	/nfs/dbraw/zinc/47/06/40/518470640.db2.gz	UGUNYLXFGHSMHU-YBFXNURJSA-N	0	0	316.744	4.147	40	30		DIEBRN
C=CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cn2c1C	ZINC000026840930	518979187	/nfs/dbraw/zinc/97/91/87/518979187.db2.gz	VVEXKBCPAWCZHT-UHFFFAOYSA-N	0	0	312.394	4.022	40	30		DIEBRN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=O)/C=C\c1ccccc1	ZINC000036610872	519825924	/nfs/dbraw/zinc/82/59/24/519825924.db2.gz	SODPQZYHRWLODB-XILHVUHGSA-N	0	0	314.425	4.273	40	30		DIEBRN
CCCCC(CCCC)=NNS(=O)(=O)c1ccc(C)cc1	ZINC000004963282	519916655	/nfs/dbraw/zinc/91/66/55/519916655.db2.gz	QLYAYUHWZKWDCX-UHFFFAOYSA-N	0	0	310.463	4.010	40	30		DIEBRN
CC[P@@+](CCC(=O)[O-])(Cc1cccc(C)c1)c1ccccc1	ZINC000033767407	523633546	/nfs/dbraw/zinc/63/35/46/523633546.db2.gz	OOJQNNQFYXHBRO-JOCHJYFZSA-O	0	0	315.373	4.333	40	30		DIEBRN
Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccccc1O)C3=O	ZINC000027579421	526107599	/nfs/dbraw/zinc/10/75/99/526107599.db2.gz	FMLCUIWNCSQYMU-KAMYIIQDSA-N	0	0	303.361	4.394	40	30		DIEBRN
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(CC#N)cc2)c1	ZINC000017368320	526247168	/nfs/dbraw/zinc/24/71/68/526247168.db2.gz	WFORFYRUFMWPLW-UHFFFAOYSA-N	0	0	322.408	4.202	40	30		DIEBRN
Cc1ccc(C)c(-c2csc(N=NCc3ccccn3)n2)c1	ZINC000057996452	526256124	/nfs/dbraw/zinc/25/61/24/526256124.db2.gz	BXBHORYJIAWBIG-VXLYETTFSA-N	0	0	308.410	4.268	40	30		DIEBRN
CCC[C@H]1CC[C@H](C(=O)Oc2cc(F)c(C#N)c(F)c2)CC1	ZINC000248215510	563606920	/nfs/dbraw/zinc/60/69/20/563606920.db2.gz	GCEMHNPUXQDXIX-HAQNSBGRSA-N	0	0	307.340	4.348	40	30		DIEBRN
N#C[C@@H]1Cc2cc(Br)ccc2-c2cc(F)ccc21	ZINC000000133237	563605357	/nfs/dbraw/zinc/60/53/57/563605357.db2.gz	LUNKMBNWLHUHFM-JTQLQIEISA-N	0	0	302.146	4.418	40	30		DIEBRN
O=C1CCCC1=CNc1ccc(Br)c(Cl)c1	ZINC000101647169	563634224	/nfs/dbraw/zinc/63/42/24/563634224.db2.gz	JUUAEYTXUBBPTD-FPLPWBNLSA-N	0	0	300.583	4.151	40	30		DIEBRN
C=C(COC(C)=O)C[C@H](/C=C(/C)CCC=C(C)C)OC(C)=O	ZINC000008655505	563835032	/nfs/dbraw/zinc/83/50/32/563835032.db2.gz	ZAXYWVMAJQQJNL-BLSFAOBESA-N	0	0	308.418	4.120	40	30		DIEBRN
N#Cc1ccc(Cn2ccc3cc(Br)ccc32)cc1	ZINC000006970563	563927302	/nfs/dbraw/zinc/92/73/02/563927302.db2.gz	RGWHVTRTKZXBIP-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
COc1ccccc1C(=O)[C@@H]1O[C@@H]1c1ccc(Cl)cc1Cl	ZINC000001714699	563292976	/nfs/dbraw/zinc/29/29/76/563292976.db2.gz	QXAFAPYLVMDOHM-CVEARBPZSA-N	0	0	323.175	4.325	40	30		DIEBRN
Cc1[nH]c2ccc(C)cc2c1C1=CC(=O)c2ccccc2C1=O	ZINC000001705342	563292580	/nfs/dbraw/zinc/29/25/80/563292580.db2.gz	RUAXGAFIOZOHMS-UHFFFAOYSA-N	0	0	301.345	4.247	40	30		DIEBRN
CC(=O)Nc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1	ZINC000002147376	563300040	/nfs/dbraw/zinc/30/00/40/563300040.db2.gz	SWOAPDCGABKMQF-KEBDBYFISA-N	0	0	306.287	4.414	40	30		DIEBRN
COc1ccc2c(c1)CC[C@@H]1C2=CC(=O)C[C@H]1c1ccccc1	ZINC000004293005	563326998	/nfs/dbraw/zinc/32/69/98/563326998.db2.gz	DIXQISWGQZORSL-PMACEKPBSA-N	0	0	304.389	4.398	40	30		DIEBRN
C(=N/N=C\c1ccco1)\c1cccc(OCc2ccccc2)c1	ZINC000008637395	563348736	/nfs/dbraw/zinc/34/87/36/563348736.db2.gz	YIPQYFLXLFBPBC-NAWSQEDCSA-N	0	0	304.349	4.312	40	30		DIEBRN
COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1	ZINC000009195083	563352459	/nfs/dbraw/zinc/35/24/59/563352459.db2.gz	UFYNMBPQUZVYIX-GIJQJNRQSA-N	0	0	309.196	4.126	40	30		DIEBRN
COc1cccc(/C=N/c2ccc(N3CCCCC3)cc2)c1O	ZINC000016228157	563411331	/nfs/dbraw/zinc/41/13/31/563411331.db2.gz	VWDHFJOIHWGBDH-XSFVSMFZSA-N	0	0	310.397	4.142	40	30		DIEBRN
Cc1[nH]nc2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccccc1)N2	ZINC000016265977	563411371	/nfs/dbraw/zinc/41/13/71/563411371.db2.gz	HPGMGOJUDBGPOW-KRWDZBQOSA-N	0	0	307.397	4.028	40	30		DIEBRN
Oc1ccc(C(=NNc2ccccc2)c2ccc(F)cc2)cc1	ZINC000016488123	563412104	/nfs/dbraw/zinc/41/21/04/563412104.db2.gz	VVNMCMUXHJMKGB-QOCHGBHMSA-N	0	0	306.340	4.396	40	30		DIEBRN
COc1ccc(Cl)c(NC=CC(=O)c2ccc(C)cc2)c1	ZINC000016291683	563412168	/nfs/dbraw/zinc/41/21/68/563412168.db2.gz	QBMFMNROHFJIRY-MDZDMXLPSA-N	0	0	301.773	4.466	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C\c2c(O)ccc3ccccc32)cc1	ZINC000017779221	563415048	/nfs/dbraw/zinc/41/50/48/563415048.db2.gz	BWGKTGISDMYZSF-NDENLUEZSA-N	0	0	304.349	4.254	40	30		DIEBRN
CC(N=Nc1ccc(Cl)nn1)c1ccc(Cl)cc1Cl	ZINC000048234653	563416391	/nfs/dbraw/zinc/41/63/91/563416391.db2.gz	CSNCMHAOCAGPTM-APSNUPSMSA-N	0	0	315.591	4.273	40	30		DIEBRN
CC(=O)Nc1ccc(/N=C/c2ccc3ccccc3c2O)cc1	ZINC000032101677	563442140	/nfs/dbraw/zinc/44/21/40/563442140.db2.gz	BCODDLVNFWRPHK-UDWIEESQSA-N	0	0	304.349	4.254	40	30		DIEBRN
CC1(C)[C@H]2C[C@@H]1C(=CN=Nc1c(F)c(F)nc(F)c1F)CC2	ZINC000084668231	563465650	/nfs/dbraw/zinc/46/56/50/563465650.db2.gz	DOVAPWKKNHJXIX-BSMCDQLHSA-N	0	0	313.298	4.028	40	30		DIEBRN
CC(C)CC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000100037231	563544911	/nfs/dbraw/zinc/54/49/11/563544911.db2.gz	KHKVAWKFDWEPTR-UHFFFAOYSA-N	0	0	320.151	4.001	40	30		DIEBRN
O=C(C=CNc1cccc(Br)c1)c1ccccc1	ZINC000100188730	563547576	/nfs/dbraw/zinc/54/75/76/563547576.db2.gz	YXBQERZLIRHWTD-MDZDMXLPSA-N	0	0	302.171	4.258	40	30		DIEBRN
CCCCCCCCCCC(C(=O)OCC)C(=O)OCC	ZINC000100301605	563549439	/nfs/dbraw/zinc/54/94/39/563549439.db2.gz	PAMYCOKKVLYDHI-UHFFFAOYSA-N	0	0	300.439	4.260	40	30		DIEBRN
COc1cc(OC)c(/N=C/c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000100806653	563553905	/nfs/dbraw/zinc/55/39/05/563553905.db2.gz	ZODVMIXJSOQFQR-RQZCQDPDSA-N	0	0	320.732	4.016	40	30		DIEBRN
CCCCCCCCCCS(=O)(=O)Nc1ccccc1O	ZINC000100921916	563554098	/nfs/dbraw/zinc/55/40/98/563554098.db2.gz	JAUCCNJQSITIMU-UHFFFAOYSA-N	0	0	313.463	4.275	40	30		DIEBRN
CCCCCCCCCCNC(=S)N(CCC#N)CCC#N	ZINC000100931344	563554155	/nfs/dbraw/zinc/55/41/55/563554155.db2.gz	MHUODAFADMLCTN-UHFFFAOYSA-N	0	0	322.522	4.131	40	30		DIEBRN
C[C@@H]1CC(C)(C)N2C(=O)C(=NNc3ccccc3)c3cccc1c32	ZINC000101586365	563557902	/nfs/dbraw/zinc/55/79/02/563557902.db2.gz	MUQYGKLGRFMHJM-YSFPUWIGSA-N	0	0	319.408	4.135	40	30		DIEBRN
C[C@@H]1CC(C)(C)N2C(=O)/C(=N\c3ccc(O)cc3)c3cccc1c32	ZINC000101763888	563558273	/nfs/dbraw/zinc/55/82/73/563558273.db2.gz	HMIGLVWECWRVJU-ZZNSHVFXSA-N	0	0	320.392	4.145	40	30		DIEBRN
CCCCCCCCCCCCNc1c(=O)c(=O)c1OCC	ZINC000104139813	563562588	/nfs/dbraw/zinc/56/25/88/563562588.db2.gz	LIBZAEMVPINNNV-UHFFFAOYSA-N	0	0	309.450	4.014	40	30		DIEBRN
N#Cc1c(N)n(Cc2ccccc2Cl)nc1C1CCCCC1	ZINC000225839300	563582432	/nfs/dbraw/zinc/58/24/32/563582432.db2.gz	QEXXTABNUUBTFD-UHFFFAOYSA-N	0	0	314.820	4.086	40	30		DIEBRN
CC1=C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]12	ZINC000118927041	563593402	/nfs/dbraw/zinc/59/34/02/563593402.db2.gz	KRLNSPRYFLSTPO-YZOVGUKHSA-N	0	0	300.442	4.045	40	30		DIEBRN
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N/O	ZINC000118927716	563593570	/nfs/dbraw/zinc/59/35/70/563593570.db2.gz	SGALQGQEDXLRTC-PTNJIDMQSA-N	0	0	305.462	4.220	40	30		DIEBRN
C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12	ZINC000118926362	563593628	/nfs/dbraw/zinc/59/36/28/563593628.db2.gz	HZWZHWTZLZZBFF-OCKKNLLRSA-N	0	0	302.458	4.125	40	30		DIEBRN
COc1cc(O)ccc1/C=N/c1nc(-c2ccccc2)cs1	ZINC000001063800	563618605	/nfs/dbraw/zinc/61/86/05/563618605.db2.gz	GOWUXGPZKWAJTB-VCHYOVAHSA-N	0	0	310.378	4.275	40	30		DIEBRN
CCCCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1	ZINC000005605712	563624124	/nfs/dbraw/zinc/62/41/24/563624124.db2.gz	UEXCLJGWXHAQTA-CPNJWEJPSA-N	0	0	308.385	4.188	40	30		DIEBRN
N#CC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000003135876	563625739	/nfs/dbraw/zinc/62/57/39/563625739.db2.gz	JQSKBSDGRHKMTR-UHFFFAOYSA-N	0	0	324.811	4.038	40	30		DIEBRN
CCn1nc(C)c(/N=C/c2ccc(Br)cc2)c1C	ZINC000001093697	563633494	/nfs/dbraw/zinc/63/34/94/563633494.db2.gz	XQNIGZWEUXNALB-CXUHLZMHSA-N	0	0	306.207	4.033	40	30		DIEBRN
Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1C	ZINC000008811536	563639347	/nfs/dbraw/zinc/63/93/47/563639347.db2.gz	VYDQOTKOMQDUDY-CIAFOILYSA-N	0	0	311.816	4.264	40	30		DIEBRN
C#CCn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21	ZINC000008811545	563639942	/nfs/dbraw/zinc/63/99/42/563639942.db2.gz	VQBPVTNKYUTCOD-LPYMAVHISA-N	0	0	321.811	4.052	40	30		DIEBRN
N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccccc1	ZINC000225882348	563646161	/nfs/dbraw/zinc/64/61/61/563646161.db2.gz	XENGVZGBMXWQKW-UHFFFAOYSA-N	0	0	323.783	4.436	40	30		DIEBRN
O=[N+]([O-])c1ccc(Cl)c(/C=N/NCc2ccc(Cl)cc2)c1	ZINC000010118838	563652094	/nfs/dbraw/zinc/65/20/94/563652094.db2.gz	YKHGSPFXIKXBIY-GIJQJNRQSA-N	0	0	324.167	4.025	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N/O)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118914009	563674071	/nfs/dbraw/zinc/67/40/71/563674071.db2.gz	VHLNMRCAXRWHOK-ZJGDBDKNSA-N	0	0	305.462	4.220	40	30	biogenic,in-vitro	DIEBRN
C=C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118927644	563676421	/nfs/dbraw/zinc/67/64/21/563676421.db2.gz	OGEYIYINQNEDRP-TVWVXWENSA-N	0	0	316.485	4.227	40	30		DIEBRN
Cc1ccc2c(c1)C(=NNc1cc(Cl)cc(Cl)c1)C(=O)N2	ZINC000223722724	563735815	/nfs/dbraw/zinc/73/58/15/563735815.db2.gz	XMMKQOIAUVPTEA-UHFFFAOYSA-N	0	0	320.179	4.070	40	30		DIEBRN
CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccccc1	ZINC000225479871	563756465	/nfs/dbraw/zinc/75/64/65/563756465.db2.gz	KCWORVLJIIRJFU-KRWDZBQOSA-N	0	0	309.438	4.190	40	30		DIEBRN
C=CCC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](/C(C)=C/C)C2(C)C)CC1=O	ZINC000225559563	563758578	/nfs/dbraw/zinc/75/85/78/563758578.db2.gz	SNDVMQGQCDITNS-UYDKOKGTSA-N	0	0	302.414	4.002	40	30		DIEBRN
CCC[C@@H]1N=C(SC)N(c2ccccc2)C(C)=C1C(C)=O	ZINC000033624557	563770092	/nfs/dbraw/zinc/77/00/92/563770092.db2.gz	JTQNJKZOUGBJBW-HNNXBMFYSA-N	0	0	302.443	4.257	40	30		DIEBRN
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	ZINC000059806296	563772298	/nfs/dbraw/zinc/77/22/98/563772298.db2.gz	GTGHOZSZMIUVEG-SJOKZOANSA-N	0	0	314.469	4.291	40	30		DIEBRN
C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@H]1CC[C@]2(C)O	ZINC000263611116	563794263	/nfs/dbraw/zinc/79/42/63/563794263.db2.gz	WUWUSCYXVYUKNZ-PCLCJBNISA-N	0	0	314.469	4.435	40	30		DIEBRN
CC(=O)C1=C2CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]2CC1	ZINC000263612655	563794619	/nfs/dbraw/zinc/79/46/19/563794619.db2.gz	YJTCYQZTDMGVPF-YFYJLLRASA-N	0	0	302.458	4.269	40	30		DIEBRN
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@H](O)C[C@@]3(C)CC[C@H]21	ZINC000008622667	563834960	/nfs/dbraw/zinc/83/49/60/563834960.db2.gz	DGQZPNNDBCCCRJ-KDJJVYBXSA-N	0	0	312.453	4.468	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2cccc(OCC(=C)C)c2)c1	ZINC000010372955	563836547	/nfs/dbraw/zinc/83/65/47/563836547.db2.gz	POQDJTAGQGHQLA-UHFFFAOYSA-N	0	0	323.392	4.459	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)Nc2cccc(OCC)c2)c1	ZINC000010372968	563836681	/nfs/dbraw/zinc/83/66/81/563836681.db2.gz	RHRDUMOXXKUEEG-UHFFFAOYSA-N	0	0	311.381	4.293	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2cccc(OCC(=C)C)c2)cc1	ZINC000010372935	563836760	/nfs/dbraw/zinc/83/67/60/563836760.db2.gz	DGNHQTCLSHYSDD-UHFFFAOYSA-N	0	0	323.392	4.459	40	30		DIEBRN
Cc1ccccc1C1=NOC(=O)/C1=C\c1c(F)cccc1Cl	ZINC000101662059	563851176	/nfs/dbraw/zinc/85/11/76/563851176.db2.gz	CECGQCKOFHRKSZ-LCYFTJDESA-N	0	0	315.731	4.132	40	30		DIEBRN
O=C(Oc1c(Cl)cc(/C=N\O)cc1Cl)c1ccccc1	ZINC000216944892	563859238	/nfs/dbraw/zinc/85/92/38/563859238.db2.gz	NUUNNUZLTJOFGV-IUXPMGMMSA-N	0	0	310.136	4.021	40	30		DIEBRN
C=CCn1c(C)cs/c1=N\c1cccc(Br)c1	ZINC000013014964	563872364	/nfs/dbraw/zinc/87/23/64/563872364.db2.gz	UOWFXMAQUZQNHW-SQFISAMPSA-N	0	0	309.232	4.039	40	30		DIEBRN
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@](C)(CO)CCC[C@]12C	ZINC000003197740	563876673	/nfs/dbraw/zinc/87/66/73/563876673.db2.gz	IERFAZQCIAZODG-PXTPFGJHSA-N	0	0	306.490	4.475	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000226258113	563913245	/nfs/dbraw/zinc/91/32/45/563913245.db2.gz	WRXGAZFEIPBPDB-VQHVLOKHSA-N	0	0	320.266	4.155	40	30		DIEBRN
C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@H]1C	ZINC000226278647	563913572	/nfs/dbraw/zinc/91/35/72/563913572.db2.gz	RJXGQNOADPTXRZ-MRXNPFEDSA-N	0	0	324.424	4.199	40	30		DIEBRN
C#Cc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1	ZINC000199727107	563914400	/nfs/dbraw/zinc/91/44/00/563914400.db2.gz	NVKNJIVQKLWETL-UHFFFAOYSA-N	0	0	305.160	4.236	40	30		DIEBRN
C=CCOc1ccc(C(=S)N2CCC(C)CC2)cc1OCC	ZINC000006892375	563921592	/nfs/dbraw/zinc/92/15/92/563921592.db2.gz	MRPWODKVNHQCLN-UHFFFAOYSA-N	0	0	319.470	4.058	40	30		DIEBRN
C#CCOc1ccc(CNc2ccc(Cl)cc2)cc1OCC	ZINC000006960576	563921727	/nfs/dbraw/zinc/92/17/27/563921727.db2.gz	QFNZERDGVCTDQD-UHFFFAOYSA-N	0	0	315.800	4.363	40	30		DIEBRN
CC(C)Oc1ccc(/C=N/NCc2ccccc2Cl)cc1	ZINC000008811807	563922408	/nfs/dbraw/zinc/92/24/08/563922408.db2.gz	OXGREYXKNUZMTO-YBFXNURJSA-N	0	0	302.805	4.251	40	30		DIEBRN
CC(C)Oc1cccc(/C=N/NCc2ccccc2Cl)c1	ZINC000008811825	563922398	/nfs/dbraw/zinc/92/23/98/563922398.db2.gz	FLGGRZIRWBATEB-YBFXNURJSA-N	0	0	302.805	4.251	40	30		DIEBRN
CC(C)Oc1ccccc1/C=N/NCc1ccccc1Cl	ZINC000008811745	563922511	/nfs/dbraw/zinc/92/25/11/563922511.db2.gz	WFCTWZHJVQFHHB-UDWIEESQSA-N	0	0	302.805	4.251	40	30		DIEBRN
CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1O	ZINC000003581792	563924472	/nfs/dbraw/zinc/92/44/72/563924472.db2.gz	DXFUKNKUIBYRPW-NTUHNPAUSA-N	0	0	314.768	4.267	40	30		DIEBRN
C[C@H]1CCCC(=CNc2ccc(Br)cc2F)C1=O	ZINC000106851321	563924604	/nfs/dbraw/zinc/92/46/04/563924604.db2.gz	BYJDQIUHKUMLFR-CUQRQBARSA-N	0	0	312.182	4.273	40	30		DIEBRN
COc1cccc(-c2nc(Cl)c(C#N)cc2Br)c1	ZINC000257197559	563928266	/nfs/dbraw/zinc/92/82/66/563928266.db2.gz	CQCDVTKLXZDNGK-UHFFFAOYSA-N	0	0	323.577	4.045	40	30		DIEBRN
CCCCCc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1	ZINC000225854409	563939024	/nfs/dbraw/zinc/93/90/24/563939024.db2.gz	VXQTUIPBRKHSQC-UHFFFAOYSA-N	0	0	301.821	4.376	40	30		DIEBRN
CC(C)Cn1c(C#N)cc(N)c1Sc1ccc(Cl)cc1	ZINC000225888781	563939167	/nfs/dbraw/zinc/93/91/67/563939167.db2.gz	UILBNTBTPVFGJJ-UHFFFAOYSA-N	0	0	305.834	4.403	40	30		DIEBRN
COc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1	ZINC000005720619	563960166	/nfs/dbraw/zinc/96/01/66/563960166.db2.gz	JQBWAZBCWVZAIP-WOJGMQOQSA-N	0	0	309.394	4.265	40	30		DIEBRN
Cc1csc(N=NCc2ccc(OCc3ccccc3)cc2)n1	ZINC000005756458	563960283	/nfs/dbraw/zinc/96/02/83/563960283.db2.gz	VWDOYVOGVMUALO-YBFXNURJSA-N	0	0	323.421	4.477	40	30		DIEBRN
CCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1	ZINC000105677335	1041277979	/nfs/dbraw/zinc/27/79/79/1041277979.db2.gz	UJICCZVRUAYGKW-UHFFFAOYSA-N	0	0	318.461	4.225	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1	ZINC000225415145	1044424594	/nfs/dbraw/zinc/42/45/94/1044424594.db2.gz	XDGCFLYJGRXEAK-UHFFFAOYSA-N	0	0	309.409	4.440	40	30		DIEBRN
Cc1cccc(Oc2c(N)cc(C#N)n2Cc2ccccc2C)c1	ZINC000225880045	1044432938	/nfs/dbraw/zinc/43/29/38/1044432938.db2.gz	QZZCSQMIUNSBFJ-UHFFFAOYSA-N	0	0	317.392	4.399	40	30		DIEBRN
C=C1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]32)C[C@H]1O	ZINC000118933745	1044487922	/nfs/dbraw/zinc/48/79/22/1044487922.db2.gz	CSAYBUZKHPFVBW-XXHSLLPRSA-N	0	0	318.501	4.307	40	30		DIEBRN
C[C@@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O	ZINC000263593414	1044813285	/nfs/dbraw/zinc/81/32/85/1044813285.db2.gz	BFMZZSBHQOCQFQ-ZKIDJSGLSA-N	0	0	300.442	4.189	40	30		DIEBRN
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3C(=C)C[C@]21CC	ZINC000253617657	1047134776	/nfs/dbraw/zinc/13/47/76/1047134776.db2.gz	GCKFUYQCUCGESZ-ZEOIANDVSA-N	0	0	324.464	4.049	40	30	world	DIEBRN
COc1ccc(OC)c(N=Cc2ccc3ccccc3c2O)c1	ZINC000254479619	1053436120	/nfs/dbraw/zinc/43/61/20/1053436120.db2.gz	RHRNGZGEKILBGA-UHFFFAOYSA-N	0	0	307.349	4.313	40	30		DIEBRN
N#CCCCCCOc1cc(Br)cc(F)c1F	ZINC000095734054	185383601	/nfs/dbraw/zinc/38/36/01/185383601.db2.gz	CENAENDCTBBJFA-UHFFFAOYSA-N	0	0	304.134	4.190	40	30		DIEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1	ZINC000225854976	201755857	/nfs/dbraw/zinc/75/58/57/201755857.db2.gz	YNIGMIIEBBNSLV-UHFFFAOYSA-N	0	0	319.383	4.029	40	30		DIEBRN
C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cn1	ZINC000225942882	201761846	/nfs/dbraw/zinc/76/18/46/201761846.db2.gz	NDKJCXPAWKGPAP-UHFFFAOYSA-N	0	0	324.424	4.162	40	30		DIEBRN
C=CCOc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1	ZINC000225630833	186285025	/nfs/dbraw/zinc/28/50/25/186285025.db2.gz	AQPICENUHQKRGZ-UHFFFAOYSA-N	0	0	307.393	4.383	40	30		DIEBRN
C(=N/N=C/c1cccc(OCc2ccccc2)c1)\c1ccco1	ZINC000001709343	180890594	/nfs/dbraw/zinc/89/05/94/180890594.db2.gz	YIPQYFLXLFBPBC-KVVJQUGZSA-N	0	0	304.349	4.312	40	30		DIEBRN
CCOC(=O)[C@@H](C#N)C(CC)(c1ccccc1)c1ccccc1	ZINC000002035890	180907597	/nfs/dbraw/zinc/90/75/97/180907597.db2.gz	ZSUDSIFYBDBEED-GOSISDBHSA-N	0	0	307.393	4.086	40	30		DIEBRN
CC1=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O	ZINC000004217683	181085667	/nfs/dbraw/zinc/08/56/67/181085667.db2.gz	RSOKUNXLBOCFIH-INAMJSSCSA-N	0	0	302.458	4.269	40	30	in-vitro	DIEBRN
O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2ccccc2)cc1	ZINC000004273432	181090594	/nfs/dbraw/zinc/09/05/94/181090594.db2.gz	DZWDBQRMNOTDAA-UHFFFAOYSA-N	0	0	317.348	4.459	40	30		DIEBRN
N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1	ZINC000004548589	181123278	/nfs/dbraw/zinc/12/32/78/181123278.db2.gz	XSMVWZUFGDVJMI-UHFFFAOYSA-N	0	0	311.341	4.040	40	30		DIEBRN
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CCC[C@@H]2O	ZINC000004727213	181143188	/nfs/dbraw/zinc/14/31/88/181143188.db2.gz	FFZVTLPCFSOGJI-WMDIELAYSA-N	0	0	302.458	4.269	40	30		DIEBRN
C=CC[C@@]1(O)C[C@@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1CCC	ZINC000005216275	181217700	/nfs/dbraw/zinc/21/77/00/181217700.db2.gz	HAJGRIJELRSGMX-STEAMIEHSA-N	0	0	315.413	4.372	40	30		DIEBRN
Cc1ccccc1/N=C1/NC(=O)/C(=C\C=C\c2ccco2)S1	ZINC000005376734	181236495	/nfs/dbraw/zinc/23/64/95/181236495.db2.gz	PWTPVVCOANQOKD-ZMZMSIHFSA-N	0	0	310.378	4.036	40	30		DIEBRN
Cc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000005380261	181237215	/nfs/dbraw/zinc/23/72/15/181237215.db2.gz	CKYRHBIWWFSOOB-DJKKODMXSA-N	0	0	323.274	4.368	40	30		DIEBRN
S=C(Nc1ccccc1)N1CCS/C1=N\c1ccccc1	ZINC000005338406	181231929	/nfs/dbraw/zinc/23/19/29/181231929.db2.gz	BZXPNKLIRCHUIJ-VLGSPTGOSA-N	0	0	313.451	4.120	40	30		DIEBRN
O=c1ccc2cc(/N=C/c3c(O)ccc4ccccc43)ccc2o1	ZINC000005518342	181252583	/nfs/dbraw/zinc/25/25/83/181252583.db2.gz	YGKBXDSNLFLZSU-CIAFOILYSA-N	0	0	315.328	4.402	40	30		DIEBRN
N#Cc1cn2c3ccccc3nc2nc1-c1ccc(Cl)cc1	ZINC000005642858	181267339	/nfs/dbraw/zinc/26/73/39/181267339.db2.gz	NKJANLAPCODKPD-UHFFFAOYSA-N	0	0	304.740	4.075	40	30		DIEBRN
CC(C)N(CCC#N)C(=S)Nc1cccc(C(F)(F)F)c1	ZINC000005732516	181278772	/nfs/dbraw/zinc/27/87/72/181278772.db2.gz	QZJWBKXLENZBCP-UHFFFAOYSA-N	0	0	315.364	4.026	40	30		DIEBRN
C=C(C)[C@@H]1CC=C(C)[C@](O)([C@]2(O)C[C@@H](C(=C)C)CC=C2C)C1	ZINC000005757649	181281717	/nfs/dbraw/zinc/28/17/17/181281717.db2.gz	WPQAOGZTDKTBHI-YRPNKDGESA-N	0	0	302.458	4.313	40	30		DIEBRN
C[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1	ZINC000005850804	181289617	/nfs/dbraw/zinc/28/96/17/181289617.db2.gz	DEOWNWVIOCEVCD-SXLDXCKXSA-N	0	0	309.369	4.322	40	30		DIEBRN
CC(C=NN1C(=S)N=NC1c1ccc(C)cc1)=Cc1ccco1	ZINC000006032830	181306832	/nfs/dbraw/zinc/30/68/32/181306832.db2.gz	HLUKVKRUEGFWIW-IWIADCQQSA-N	0	0	324.409	4.073	40	30		DIEBRN
Cc1ccccc1/C=N/N1C(=O)[C@@H](C)S[C@@H]1c1ccccc1C	ZINC000006491458	181345615	/nfs/dbraw/zinc/34/56/15/181345615.db2.gz	ALFNGVYJTRFKEG-SRKDWSFESA-N	0	0	324.449	4.300	40	30		DIEBRN
COc1ccc(/C=C/C(=O)c2ccccc2Cl)c(OC)c1	ZINC000006641287	181364023	/nfs/dbraw/zinc/36/40/23/181364023.db2.gz	IMFAEAFYZOSGMK-CSKARUKUSA-N	0	0	302.757	4.253	40	30		DIEBRN
N#Cc1ccccc1Cn1ccc2cc(Br)ccc21	ZINC000006816011	181394071	/nfs/dbraw/zinc/39/40/71/181394071.db2.gz	NVKZMXXPMFNYOY-UHFFFAOYSA-N	0	0	311.182	4.324	40	30		DIEBRN
C=CCOC(=O)c1ccc(OCc2cccc(F)c2)c(Cl)c1	ZINC000216813355	201499069	/nfs/dbraw/zinc/49/90/69/201499069.db2.gz	OTXDUAJFHPIOGX-UHFFFAOYSA-N	0	0	320.747	4.401	40	30		DIEBRN
C=CCOC(=O)c1ccc(C)c(-c2cc3ccccc3oc2=O)c1	ZINC000216936413	201506052	/nfs/dbraw/zinc/50/60/52/201506052.db2.gz	PXYPCGCVFKPYMA-UHFFFAOYSA-N	0	0	320.344	4.111	40	30		DIEBRN
N#Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)o1	ZINC000007005908	181431656	/nfs/dbraw/zinc/43/16/56/181431656.db2.gz	GXMAIRMQKYKSTL-UHFFFAOYSA-N	0	0	311.341	4.040	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1	ZINC000219782092	201564174	/nfs/dbraw/zinc/56/41/74/201564174.db2.gz	OKLIUEJBGUTCQG-UHFFFAOYSA-N	0	0	309.365	4.096	40	30		DIEBRN
O=[N+]([O-])c1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1	ZINC000009195799	181607112	/nfs/dbraw/zinc/60/71/12/181607112.db2.gz	XEWSUOFDVAVDJO-CAOOACKPSA-N	0	0	324.167	4.025	40	30		DIEBRN
CCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OC	ZINC000012412024	181758842	/nfs/dbraw/zinc/75/88/42/181758842.db2.gz	HDXGFKNZRHVTQR-BOPFTXTBSA-N	0	0	312.390	4.423	40	30		DIEBRN
N#Cc1ccccc1OC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2	ZINC000015657113	182010733	/nfs/dbraw/zinc/01/07/33/182010733.db2.gz	RROYKAJGFOWLBL-NLKGSNSHSA-N	0	0	315.800	4.041	40	30		DIEBRN
CC(C)(C)/N=C/c1nnn(-c2ccccc2)c1-c1ccccc1	ZINC000016322843	182040200	/nfs/dbraw/zinc/04/02/00/182040200.db2.gz	TZOBIBBPSUHYAB-XSFVSMFZSA-N	0	0	304.397	4.152	40	30		DIEBRN
N#CCCN(C(=S)Nc1ccccc1F)C1CCCCC1	ZINC000016450405	182044940	/nfs/dbraw/zinc/04/49/40/182044940.db2.gz	IDVZZRSCWGOOED-UHFFFAOYSA-N	0	0	305.422	4.071	40	30		DIEBRN
O=C(/C=C/c1ccc2c(c1)OCO2)c1cccc2ccccc21	ZINC000016957584	182066755	/nfs/dbraw/zinc/06/67/55/182066755.db2.gz	LPTQOHKILLDHLD-CSKARUKUSA-N	0	0	302.329	4.465	40	30		DIEBRN
COc1ccc(/N=C/c2ccc(N(CCF)CCF)cc2)cc1	ZINC000018096643	182092695	/nfs/dbraw/zinc/09/26/95/182092695.db2.gz	TXIKIDUIDJOZHZ-KGENOOAVSA-N	0	0	318.367	4.191	40	30		DIEBRN
C/C(=N\OC(=O)c1cccs1)c1ccc(-n2cccc2)cc1	ZINC000020160009	182193885	/nfs/dbraw/zinc/19/38/85/182193885.db2.gz	IDIRHJNWILYREG-QGOAFFKASA-N	0	0	310.378	4.120	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000022114338	182308992	/nfs/dbraw/zinc/30/89/92/182308992.db2.gz	WMAZMNFANLKALZ-MPRNQXESSA-N	0	0	300.442	4.045	40	30		DIEBRN
CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2C(=O)C1=O	ZINC000030726792	182596385	/nfs/dbraw/zinc/59/63/85/182596385.db2.gz	FNNZMRSRVYUVQT-AZUAARDMSA-N	0	0	314.425	4.305	40	30	in-vitro	DIEBRN
NC(=O)c1c(/N=C\c2ccccc2Cl)sc2c1CCCC2	ZINC000101412717	193813741	/nfs/dbraw/zinc/81/37/41/193813741.db2.gz	YUGLDVXXTRPLOK-OCKHKDLRSA-N	0	0	318.829	4.130	40	30		DIEBRN
Oc1ccc(Br)cc1/C=N/[C@H]1CCc2ccccc21	ZINC000057411993	184037724	/nfs/dbraw/zinc/03/77/24/184037724.db2.gz	ONCKQELISQQWEM-ZNBBLSJYSA-N	0	0	316.198	4.261	40	30		DIEBRN
CC1=C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O	ZINC000118929807	194942071	/nfs/dbraw/zinc/94/20/71/194942071.db2.gz	GYBGISLVORKLBN-HNFSSWLOSA-N	0	0	302.458	4.125	40	30		DIEBRN
C#CCOc1ccc(C2Nc3cccc4cccc(c43)N2)cc1	ZINC000070453945	257128133	/nfs/dbraw/zinc/12/81/33/257128133.db2.gz	NFPQTVRGSDRDFM-UHFFFAOYSA-N	0	0	300.361	4.388	40	30		DIEBRN
COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)o1	ZINC000059138667	257217041	/nfs/dbraw/zinc/21/70/41/257217041.db2.gz	CNSXZQRZNGFNAT-WOJGMQOQSA-N	0	0	304.777	4.292	40	30		DIEBRN
COc1cccc(/N=C/c2ccc(N3CCCCC3)cc2OC)c1	ZINC000409237017	257220705	/nfs/dbraw/zinc/22/07/05/257220705.db2.gz	URBYBNYRPJBPSX-RCCKNPSSSA-N	0	0	324.424	4.445	40	30		DIEBRN
C#CCOc1ccc(CNc2cccc(C)c2C)cc1OCC	ZINC000409111752	257222103	/nfs/dbraw/zinc/22/21/03/257222103.db2.gz	DUZJZGKJIPKJIB-UHFFFAOYSA-N	0	0	309.409	4.326	40	30		DIEBRN
C#CCOc1ccc(CNc2ccccc2CC)cc1OCC	ZINC000409118544	257222512	/nfs/dbraw/zinc/22/25/12/257222512.db2.gz	RCWSEFGULMJCLP-UHFFFAOYSA-N	0	0	309.409	4.272	40	30		DIEBRN
Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21	ZINC000409107749	257222754	/nfs/dbraw/zinc/22/27/54/257222754.db2.gz	UHWWTLTWKFSAIA-ODCIPOBUSA-N	0	0	318.302	4.038	40	30		DIEBRN
CCc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1	ZINC000409105190	257222877	/nfs/dbraw/zinc/22/28/77/257222877.db2.gz	JRZFMOKRQXRAIB-RCCKNPSSSA-N	0	0	308.425	4.145	40	30		DIEBRN
C=CCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O	ZINC000409070785	257223279	/nfs/dbraw/zinc/22/32/79/257223279.db2.gz	OWVBTKBKPQNOIK-SDNWHVSQSA-N	0	0	301.411	4.206	40	30		DIEBRN
C=CCc1cc(C=O)cc(OC)c1OCc1cccc(Cl)c1	ZINC000409087372	257223379	/nfs/dbraw/zinc/22/33/79/257223379.db2.gz	CHCJIEHWRPOUIW-UHFFFAOYSA-N	0	0	316.784	4.469	40	30		DIEBRN
CCOc1ccccc1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409072741	257223521	/nfs/dbraw/zinc/22/35/21/257223521.db2.gz	DEKHPPKHZRBDBQ-YVLHZVERSA-N	0	0	304.733	4.398	40	30		DIEBRN
Cc1sc(N=NC(C)c2cccnc2)nc1-c1ccccc1	ZINC000409054993	257223596	/nfs/dbraw/zinc/22/35/96/257223596.db2.gz	OXADRPFSOWOVDA-UDWIEESQSA-N	0	0	308.410	4.350	40	30		DIEBRN
COc1ccc(CC=CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000409065990	257223697	/nfs/dbraw/zinc/22/36/97/257223697.db2.gz	VKXKSHFSMMQQRL-QFPUGKHMSA-N	0	0	321.302	4.220	40	30		DIEBRN
COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1OC(C)C	ZINC000409011909	257224408	/nfs/dbraw/zinc/22/44/08/257224408.db2.gz	PBGJLFBCYVAAAO-WQRHYEAKSA-N	0	0	314.341	4.141	40	30		DIEBRN
Cc1oc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(C#N)c1C	ZINC000408950613	257225421	/nfs/dbraw/zinc/22/54/21/257225421.db2.gz	HCQPFNPNBOPJBS-REZTVBANSA-N	0	0	303.705	4.080	40	30		DIEBRN
Cc1ccc(/N=C\c2cc(Br)c(N(C)C)o2)c(C)c1	ZINC000408857022	257225861	/nfs/dbraw/zinc/22/58/61/257225861.db2.gz	MPVOABVQWIVJKB-MFOYZWKCSA-N	0	0	321.218	4.476	40	30		DIEBRN
Cc1cc(/C=N/c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000408773164	257226806	/nfs/dbraw/zinc/22/68/06/257226806.db2.gz	HDMCQDSVHGYFAW-WOJGMQOQSA-N	0	0	309.325	4.346	40	30		DIEBRN
O=C1OC(c2ccc3ccccc3c2)=CC1=NNc1ccccc1	ZINC000408725949	257227064	/nfs/dbraw/zinc/22/70/64/257227064.db2.gz	QZVXMTQYSAMZCC-PYCFMQQDSA-N	0	0	314.344	4.206	40	30		DIEBRN
O=[N+]([O-])c1cccc(CC=CN=Nc2nc3ccccc3s2)c1	ZINC000408733585	257227428	/nfs/dbraw/zinc/22/74/28/257227428.db2.gz	LDQRDAMJHRFQBJ-ZUCBPKHASA-N	0	0	324.365	4.316	40	30		DIEBRN
CCCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000408709005	257227693	/nfs/dbraw/zinc/22/76/93/257227693.db2.gz	OAJOXULUXYEQGV-UHFFFAOYSA-N	0	0	318.461	4.009	40	30		DIEBRN
CCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C	ZINC000408708495	257227700	/nfs/dbraw/zinc/22/77/00/257227700.db2.gz	IWFHOLZJHCAXTB-UHFFFAOYSA-N	0	0	318.461	4.009	40	30		DIEBRN
C(=N/c1ccc2ccccc2c1)\c1ccc(N2CCOCC2)cc1	ZINC000408719096	257228167	/nfs/dbraw/zinc/22/81/67/257228167.db2.gz	IWUPHXJTAWOEAR-CJLVFECKSA-N	0	0	316.404	4.427	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CCCOc2ccccc2)c1	ZINC000408705644	257228314	/nfs/dbraw/zinc/22/83/14/257228314.db2.gz	KKBKHKRQNFZYFI-UHFFFAOYSA-N	0	0	311.381	4.049	40	30		DIEBRN
C=CCc1cc(C(=O)NCc2ccccc2Cl)ccc1OC	ZINC000408705923	257228414	/nfs/dbraw/zinc/22/84/14/257228414.db2.gz	QIVPUTQVDJFZKF-UHFFFAOYSA-N	0	0	315.800	4.007	40	30		DIEBRN
Cc1ccc(C(=O)/C=C/c2cc3c(cc2Cl)OCO3)cc1	ZINC000408692517	257228652	/nfs/dbraw/zinc/22/86/52/257228652.db2.gz	OFWOYJMGYBZKKC-VOTSOKGWSA-N	0	0	300.741	4.273	40	30		DIEBRN
C=CCOc1ccc(C(=S)NCc2ccccc2Cl)cc1	ZINC000408578211	257229674	/nfs/dbraw/zinc/22/96/74/257229674.db2.gz	WUWHGECRFUCDFT-UHFFFAOYSA-N	0	0	317.841	4.370	40	30		DIEBRN
C=CCOc1ccc(C(=S)NCc2ccc(CC)cc2)cc1	ZINC000408577663	257229985	/nfs/dbraw/zinc/22/99/85/257229985.db2.gz	UESFRAIZMRGMPW-UHFFFAOYSA-N	0	0	311.450	4.279	40	30		DIEBRN
Cc1ccc(/N=C/c2ccccc2I)cc1	ZINC000408550630	257230151	/nfs/dbraw/zinc/23/01/51/257230151.db2.gz	IMOROSOMLOMZPL-MHWRWJLKSA-N	0	0	321.161	4.350	40	30		DIEBRN
C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C	ZINC000257345704	331965133	/nfs/dbraw/zinc/96/51/33/331965133.db2.gz	GTGHOZSZMIUVEG-SZTFBZTMSA-N	0	0	314.469	4.291	40	30		DIEBRN
C=CCOc1cccc(NC(=S)NCc2ccccc2C)c1	ZINC000225310209	332465471	/nfs/dbraw/zinc/46/54/71/332465471.db2.gz	AREOJMHLWAEREA-UHFFFAOYSA-N	0	0	312.438	4.046	40	30		DIEBRN
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccco1	ZINC000014060003	333149781	/nfs/dbraw/zinc/14/97/81/333149781.db2.gz	YPYVYMZJQZCADH-UHFFFAOYSA-N	0	0	315.373	4.156	40	30		DIEBRN
COc1ccccc1CN/N=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000020761796	333385399	/nfs/dbraw/zinc/38/53/99/333385399.db2.gz	XFHVLCXZMSGKOA-LPYMAVHISA-N	0	0	324.355	4.218	40	30		DIEBRN
COc1ccc(/C=N\O)cc1OCc1cccc2ccccc21	ZINC000011801221	335145262	/nfs/dbraw/zinc/14/52/62/335145262.db2.gz	OYEWGZXVVNJMSK-NDENLUEZSA-N	0	0	307.349	4.236	40	30		DIEBRN
C[C@@H]1C[C@@H]2C(=CC1=O)CC[C@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@@H]12	ZINC000263600095	333945820	/nfs/dbraw/zinc/94/58/20/333945820.db2.gz	JQIGNJUHWXILBM-ULVXCZRRSA-N	0	0	302.458	4.125	40	30		DIEBRN
C/C=C1\[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C	ZINC000584577545	337367392	/nfs/dbraw/zinc/36/73/92/337367392.db2.gz	YCFSRIUWADDJEY-FDPLIRDCSA-N	0	0	314.469	4.435	40	30		DIEBRN
C=CCSc1nnc(COc2ccc(Cl)cc2Cl)o1	ZINC000078431587	337598961	/nfs/dbraw/zinc/59/89/61/337598961.db2.gz	NYUDAZADUPGONV-UHFFFAOYSA-N	0	0	317.197	4.234	40	30		DIEBRN
CC(=O)c1sc(N=NC2C[C@H]3CC[C@]2(C)C3(C)C)nc1C	ZINC000035397932	518496798	/nfs/dbraw/zinc/49/67/98/518496798.db2.gz	JBCYEYAVFXOGBX-IJNWJSOVSA-N	0	0	305.447	4.268	40	30		DIEBRN
C/N=C(/SCc1ccccc1)N(C)c1cnc(SC)s1	ZINC000006317262	518571477	/nfs/dbraw/zinc/57/14/77/518571477.db2.gz	NQHXLAQOASMLEF-FYWRMAATSA-N	0	0	323.512	4.220	40	30		DIEBRN
CC(C)(C)OC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000035572216	518838190	/nfs/dbraw/zinc/83/81/90/518838190.db2.gz	IUQYNNDWBGISLN-LLVKDONJSA-N	0	0	301.173	4.083	40	30		DIEBRN
CC(=C\C=N\N(C)c1ccccc1)/C=C\C(=O)c1ccccc1	ZINC000017064580	519348080	/nfs/dbraw/zinc/34/80/80/519348080.db2.gz	FEUBCKZDHSELCC-PSOHZHEBSA-N	0	0	304.393	4.494	40	30		DIEBRN
Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccc(O)cc1)C3=O	ZINC000027579416	526108456	/nfs/dbraw/zinc/10/84/56/526108456.db2.gz	HGYUXJLKQQOGEW-KAMYIIQDSA-N	0	0	303.361	4.394	40	30		DIEBRN
COc1ccc(/N=C\c2ccc3ccccc3c2O)c(OC)c1	ZINC000001100244	563277275	/nfs/dbraw/zinc/27/72/75/563277275.db2.gz	WRXWTVIYOJTBSI-NDENLUEZSA-N	0	0	307.349	4.313	40	30		DIEBRN
C(=N/N1CCCCCC1)\c1ccc(OCc2ccccc2)cc1	ZINC000001730491	563293782	/nfs/dbraw/zinc/29/37/82/563293782.db2.gz	LHFCYVWIIYARJJ-LTGZKZEYSA-N	0	0	308.425	4.476	40	30		DIEBRN
C(=N/N1CCCCCC1)\c1cccc(OCc2ccccc2)c1	ZINC000001730493	563293978	/nfs/dbraw/zinc/29/39/78/563293978.db2.gz	HDTQMBGLYSPLRW-LTGZKZEYSA-N	0	0	308.425	4.476	40	30		DIEBRN
CN(C)c1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1	ZINC000001740587	563294521	/nfs/dbraw/zinc/29/45/21/563294521.db2.gz	GZGIZKWMSRXKIM-XQNSMLJCSA-N	0	0	315.420	4.489	40	30		DIEBRN
CCOc1cc(/C=N\O)ccc1OCc1ccccc1Cl	ZINC000100226762	563296514	/nfs/dbraw/zinc/29/65/14/563296514.db2.gz	SVXHLGSBCOADET-ZDLGFXPLSA-N	0	0	305.761	4.126	40	30		DIEBRN
Cc1ccc(C(=O)/C=C/O/C=C/C(=O)c2ccc(C)cc2)cc1	ZINC000002146211	563300162	/nfs/dbraw/zinc/30/01/62/563300162.db2.gz	IPLZHULNPJRNMH-PHEQNACWSA-N	0	0	306.361	4.413	40	30		DIEBRN
CCCC[C@H](CC)COP(=O)(OCCC#N)OCCC#N	ZINC000005554429	563330115	/nfs/dbraw/zinc/33/01/15/563330115.db2.gz	UOYKKIGJUHVJCA-AWEZNQCLSA-N	0	0	316.338	4.188	40	30		DIEBRN
CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccncc1	ZINC000023224107	563419923	/nfs/dbraw/zinc/41/99/23/563419923.db2.gz	CNQVKMOBODZJRW-CIAFOILYSA-N	0	0	310.788	4.428	40	30		DIEBRN
CCC(C)=CN=Nc1nnc(N=NC=C(C)CC)c2ccccc21	ZINC000031669986	563440788	/nfs/dbraw/zinc/44/07/88/563440788.db2.gz	VTZJNVBINZKWIB-IPUNGKIASA-N	0	0	322.416	4.358	40	30		DIEBRN
CC(=CC(=O)c1cccnc1)Nc1ccccc1C(F)(F)F	ZINC000032100629	563441888	/nfs/dbraw/zinc/44/18/88/563441888.db2.gz	QZXSHZRZAULUIW-PKNBQFBNSA-N	0	0	306.287	4.299	40	30		DIEBRN
C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1O	ZINC000076274733	563459681	/nfs/dbraw/zinc/45/96/81/563459681.db2.gz	FEHGQEBBMOLWDD-UHFFFAOYSA-N	0	0	313.397	4.140	40	30		DIEBRN
CC(=O)c1cccc(N=Cc2cc(Br)ccc2O)c1	ZINC000100033117	563544929	/nfs/dbraw/zinc/54/49/29/563544929.db2.gz	SHMSVERALQKSFA-RQZCQDPDSA-N	0	0	318.170	4.108	40	30		DIEBRN
CCCCCCCCNC(=O)CSc1nc2ccccc2o1	ZINC000100944070	563554713	/nfs/dbraw/zinc/55/47/13/563554713.db2.gz	IZCPMSBHOKKEEJ-UHFFFAOYSA-N	0	0	320.458	4.397	40	30		DIEBRN
CC1=CC(C)(C)N2C(=O)C(=NNc3ccccc3)c3cccc1c32	ZINC000101587434	563557830	/nfs/dbraw/zinc/55/78/30/563557830.db2.gz	XRIVVLIKZYHFQX-XLNRJJMWSA-N	0	0	317.392	4.045	40	30		DIEBRN
CCCCCCCCOc1cc([O-])c(C2=[NH+]CCN2)cc1Cl	ZINC000103011662	563560658	/nfs/dbraw/zinc/56/06/58/563560658.db2.gz	PVPQZSIVCKRXIO-UHFFFAOYSA-N	0	0	324.852	4.135	40	30		DIEBRN
C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1	ZINC000104300569	563563803	/nfs/dbraw/zinc/56/38/03/563563803.db2.gz	DEOWNWVIOCEVCD-VNFBCYQWSA-N	0	0	309.369	4.322	40	30		DIEBRN
C[C@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@H]12	ZINC000118927502	563593350	/nfs/dbraw/zinc/59/33/50/563593350.db2.gz	XPQMZKUPBXMJTQ-WPVHNYFVSA-N	0	0	314.469	4.291	40	30		DIEBRN
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N/O	ZINC000118927720	563593651	/nfs/dbraw/zinc/59/36/51/563593651.db2.gz	SGALQGQEDXLRTC-NMABYZETSA-N	0	0	305.462	4.220	40	30		DIEBRN
C=CCc1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)ccc1OC	ZINC000224708253	563598151	/nfs/dbraw/zinc/59/81/51/563598151.db2.gz	COTPYUSBEMJWBJ-HNNXBMFYSA-N	0	0	323.436	4.477	40	30		DIEBRN
C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1	ZINC000224668493	563598358	/nfs/dbraw/zinc/59/83/58/563598358.db2.gz	WSXZRLZEDMRMFB-UHFFFAOYSA-N	0	0	321.829	4.030	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1	ZINC000224999486	563601404	/nfs/dbraw/zinc/60/14/04/563601404.db2.gz	SJJGCMIQCHJHMX-UHFFFAOYSA-N	0	0	301.773	4.466	40	30		DIEBRN
C=CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000225037398	563603053	/nfs/dbraw/zinc/60/30/53/563603053.db2.gz	IGNOQAPZYYDNDB-UHFFFAOYSA-N	0	0	317.772	4.166	40	30		DIEBRN
Cc1ccccc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2	ZINC000000807393	563613817	/nfs/dbraw/zinc/61/38/17/563613817.db2.gz	XBSQJTQGGISVBN-UHFFFAOYSA-N	0	0	321.420	4.038	40	30		DIEBRN
N#CCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000008062163	563641735	/nfs/dbraw/zinc/64/17/35/563641735.db2.gz	RKQBQOUDPQPHGA-UHFFFAOYSA-N	0	0	304.271	4.024	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000008073579	563641778	/nfs/dbraw/zinc/64/17/78/563641778.db2.gz	WOKAIWBJLUZNTL-UHFFFAOYSA-N	0	0	305.736	4.296	40	30		DIEBRN
Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)cc1	ZINC000225880751	563646147	/nfs/dbraw/zinc/64/61/47/563646147.db2.gz	PDYKFIFVJDSKKT-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
Cc1cccc(Cn2c(C#N)cc(N)c2Sc2ccccc2)c1	ZINC000225887892	563649207	/nfs/dbraw/zinc/64/92/07/563649207.db2.gz	XFEUAKSRBYRTFV-UHFFFAOYSA-N	0	0	319.433	4.450	40	30		DIEBRN
C=CCOc1ccc(C(=O)Nc2cccc(OCC=C)c2)cc1	ZINC000014783767	563672911	/nfs/dbraw/zinc/67/29/11/563672911.db2.gz	WQEXRMTZRCZMNE-UHFFFAOYSA-N	0	0	309.365	4.069	40	30		DIEBRN
C=CCc1cc2c(c(OC)c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000049181121	563700994	/nfs/dbraw/zinc/70/09/94/563700994.db2.gz	JETDBUNSPWMQCY-BLVKFPJESA-N	0	0	324.376	4.390	40	30	biogenic,in-vitro	DIEBRN
CC[NH+](CC)CC#CCO[C@@H](C)n1cccc1-c1ccccc1	ZINC000005591562	563701548	/nfs/dbraw/zinc/70/15/48/563701548.db2.gz	XNKSJPUMHUHYJT-SFHVURJKSA-N	0	0	310.441	4.035	40	30		DIEBRN
Cc1nn(-c2ccccc2)c2c1C(=O)/C(=C\Cl)C(C)(C)C2	ZINC000003171888	563715967	/nfs/dbraw/zinc/71/59/67/563715967.db2.gz	GXGZCOZMLGAFME-JLHYYAGUSA-N	0	0	300.789	4.068	40	30		DIEBRN
C=CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1	ZINC000057435456	563718825	/nfs/dbraw/zinc/71/88/25/563718825.db2.gz	IQGOXNSGHBNNBV-KPKJPENVSA-N	0	0	324.376	4.165	40	30		DIEBRN
CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(CC#N)cc2)cc1	ZINC000222877289	563729397	/nfs/dbraw/zinc/72/93/97/563729397.db2.gz	IUTMPHBFKLPXDJ-IBGZPJMESA-N	0	0	322.408	4.111	40	30		DIEBRN
Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)c(C)c1	ZINC000225475698	563756473	/nfs/dbraw/zinc/75/64/73/563756473.db2.gz	MWPHRBSHZBZLSC-OAHLLOKOSA-N	0	0	323.465	4.417	40	30		DIEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2Cc2cccc(C)c2)cc1	ZINC000225856023	563765263	/nfs/dbraw/zinc/76/52/63/563765263.db2.gz	AXJRWIPOFFNDFK-UHFFFAOYSA-N	0	0	315.420	4.198	40	30		DIEBRN
CCCCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000033668171	563770213	/nfs/dbraw/zinc/77/02/13/563770213.db2.gz	OJHANRKEDGWWOK-AQTBWJFISA-N	0	0	313.357	4.220	40	30		DIEBRN
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C	ZINC000257345468	563793057	/nfs/dbraw/zinc/79/30/57/563793057.db2.gz	NVUUMOOKVFONOM-BIEDPOGDSA-N	0	0	300.442	4.333	40	30		DIEBRN
C=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100477187	563821767	/nfs/dbraw/zinc/82/17/67/563821767.db2.gz	KSQRGPQLCIXCCL-UHFFFAOYSA-N	0	0	324.968	4.363	40	30		DIEBRN
O=C(/C=C/c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000007740449	563822194	/nfs/dbraw/zinc/82/21/94/563822194.db2.gz	ITIXXMYVCCLWRS-BQYQJAHWSA-N	0	0	305.692	4.283	40	30		DIEBRN
C#CCOC(=O)c1cccc(OCc2cccc3ccccc32)c1	ZINC000216850108	563856372	/nfs/dbraw/zinc/85/63/72/563856372.db2.gz	QQNVNBOHRXQUPP-UHFFFAOYSA-N	0	0	316.356	4.209	40	30		DIEBRN
O=C1C=C(NCCCCC2CCCCC2)c2ccccc2C1=O	ZINC000100487170	563877595	/nfs/dbraw/zinc/87/75/95/563877595.db2.gz	FBGBNUHZWSPSIG-UHFFFAOYSA-N	0	0	311.425	4.133	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000226257925	563913210	/nfs/dbraw/zinc/91/32/10/563913210.db2.gz	AJDUPCYDAVNLNW-VMPITWQZSA-N	0	0	321.159	4.443	40	30		DIEBRN
COc1cc(/C=N/c2ccccc2)cc(Br)c1OC	ZINC000008109884	563922346	/nfs/dbraw/zinc/92/23/46/563922346.db2.gz	MCRFQUGJRQIURT-LICLKQGHSA-N	0	0	320.186	4.217	40	30		DIEBRN
C=CCOc1cccc(/C=N/NCc2ccccc2Cl)c1	ZINC000008811711	563922490	/nfs/dbraw/zinc/92/24/90/563922490.db2.gz	SSZKKNJDERSDIV-XDHOZWIPSA-N	0	0	300.789	4.029	40	30		DIEBRN
COc1ccccc1-c1c(C#N)c(N)nc(C)c1-c1ccccc1	ZINC000034953992	563923132	/nfs/dbraw/zinc/92/31/32/563923132.db2.gz	XVXUFFBNGXZAKO-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
COc1cccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c1	ZINC000034953991	563923179	/nfs/dbraw/zinc/92/31/79/563923179.db2.gz	KVAKJGWVWQSSHM-UHFFFAOYSA-N	0	0	315.376	4.187	40	30		DIEBRN
Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C#N)cc1	ZINC000006266069	563924461	/nfs/dbraw/zinc/92/44/61/563924461.db2.gz	ZGGYTKGGCOWWRN-LPYMAVHISA-N	0	0	307.372	4.357	40	30		DIEBRN
Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(C)cc1	ZINC000038373255	563924675	/nfs/dbraw/zinc/92/46/75/563924675.db2.gz	SUYZZHXJXDTIIM-MOSHPQCFSA-N	0	0	304.397	4.244	40	30		DIEBRN
Cc1sc2ncnc(SCc3ccc(C#N)cc3)c2c1C	ZINC000000531466	563927164	/nfs/dbraw/zinc/92/71/64/563927164.db2.gz	JCHHIRKVLNNQDP-UHFFFAOYSA-N	0	0	311.435	4.472	40	30		DIEBRN
Cc1cccc(-c2nnc(SCc3ccccc3C#N)o2)c1	ZINC000007006378	563927337	/nfs/dbraw/zinc/92/73/37/563927337.db2.gz	HMAMPEDRYLCDGY-UHFFFAOYSA-N	0	0	307.378	4.209	40	30		DIEBRN
N#Cc1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000011885111	563928335	/nfs/dbraw/zinc/92/83/35/563928335.db2.gz	PUEAGDHCBWGEPR-UHFFFAOYSA-N	0	0	306.134	4.039	40	30		DIEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccccc2F)c1	ZINC000225854728	563939006	/nfs/dbraw/zinc/93/90/06/563939006.db2.gz	QSVXSOKSTMMRNY-UHFFFAOYSA-N	0	0	319.383	4.029	40	30		DIEBRN
N#Cc1ccc(CCc2ccccc2)n1Cc1ccc(F)cc1	ZINC000226028955	563939443	/nfs/dbraw/zinc/93/94/43/563939443.db2.gz	DPOLGGLAZQLXJC-UHFFFAOYSA-N	0	0	304.368	4.332	40	30		DIEBRN
Nc1nnc(-c2cccc(/N=C/c3ccccc3Cl)c2)s1	ZINC000408718003	563960524	/nfs/dbraw/zinc/96/05/24/563960524.db2.gz	ALYDFSRSKQOYJB-GIJQJNRQSA-N	0	0	314.801	4.191	40	30		DIEBRN
CCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1	ZINC000001567954	568412255	/nfs/dbraw/zinc/41/22/55/568412255.db2.gz	BRCZCDQNJZAAGC-VQIMIIECSA-N	0	0	305.462	4.365	40	30		DIEBRN
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@]21CC	ZINC000001481841	568413952	/nfs/dbraw/zinc/41/39/52/568413952.db2.gz	GCKFUYQCUCGESZ-IBJQYKMBSA-N	0	0	324.464	4.049	40	30	world	DIEBRN
C[C@H]1CCc2sc(NC(=O)C3CCCCC3)c(C#N)c2C1	ZINC000002769218	568417541	/nfs/dbraw/zinc/41/75/41/568417541.db2.gz	USSUNOPKLXMHMS-NSHDSACASA-N	0	0	302.443	4.263	40	30		DIEBRN
Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)c2ccccc2n1	ZINC000005006935	1040600368	/nfs/dbraw/zinc/60/03/68/1040600368.db2.gz	ILBWVUGQYGUOEU-DEDYPNTBSA-N	0	0	304.397	4.055	40	30		DIEBRN
CC(C)CCn1ncc(NC(=O)N[C@H]2CC=CCC2)c1C(C)C	ZINC000331141011	1042387220	/nfs/dbraw/zinc/38/72/20/1042387220.db2.gz	XAUSIIYQMXHYHZ-HNNXBMFYSA-N	0	0	318.465	4.487	40	30		DIEBRN
CC1=CCC[C@]2(C)O[C@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1	ZINC000958322902	1046814213	/nfs/dbraw/zinc/81/42/13/1046814213.db2.gz	ARTVDMKLQDTMGX-UHZRXMQZSA-N	0	0	322.489	4.379	40	30		DIEBRN
CC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12	ZINC001560403716	1060188347	/nfs/dbraw/zinc/18/83/47/1060188347.db2.gz	GAFSAKRFIPVHRI-ROMHJBHXSA-N	0	0	301.450	4.083	40	30		DIEBRN
CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2Cl)CC1	ZINC000079033137	185147788	/nfs/dbraw/zinc/14/77/88/185147788.db2.gz	RSOFRIVCXMGENN-UHFFFAOYSA-N	0	0	320.820	4.132	40	30		DIEBRN
N#Cc1cccc(Nc2cc(Cl)nc(-c3ccccc3)n2)c1	ZINC000317567107	231162931	/nfs/dbraw/zinc/16/29/31/231162931.db2.gz	DTKFBFPVCUCEOP-UHFFFAOYSA-N	0	0	306.756	4.412	40	30		DIEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccccc2C)cc1	ZINC000225855739	201756099	/nfs/dbraw/zinc/75/60/99/201756099.db2.gz	LXKXJIAWFMOELC-UHFFFAOYSA-N	0	0	315.420	4.198	40	30		DIEBRN
N#C[C@H]1Cc2cc(Br)ccc2-c2cc(F)ccc21	ZINC000000133239	180704308	/nfs/dbraw/zinc/70/43/08/180704308.db2.gz	LUNKMBNWLHUHFM-SNVBAGLBSA-N	0	0	302.146	4.418	40	30		DIEBRN
C(=N/N=C/c1ccc(OCc2ccccc2)cc1)\c1ccco1	ZINC000001709359	180890369	/nfs/dbraw/zinc/89/03/69/180890369.db2.gz	HDIVFVPKKNQJMH-KVVJQUGZSA-N	0	0	304.349	4.312	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000004025021	181063388	/nfs/dbraw/zinc/06/33/88/181063388.db2.gz	KCZCIYZKSLLNNH-FBPKJDBXSA-N	0	0	322.876	4.446	40	30	in-man	DIEBRN
C[C@]1(O)CC[C@H]2[C@@H]3CCC4C(=O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000004217232	181085408	/nfs/dbraw/zinc/08/54/08/181085408.db2.gz	RXXBBHGCAXVBES-XMUHMHRVSA-N	0	0	318.457	4.155	40	30	world	DIEBRN
CS/C(=N\C#N)SCOc1c(Cl)cccc1Cl	ZINC000004716383	181141923	/nfs/dbraw/zinc/14/19/23/181141923.db2.gz	FWTXKQLCTNDYMQ-GXDHUFHOSA-N	0	0	307.227	4.263	40	30		DIEBRN
C=CCOC(=O)c1ccc2nc(-c3cccc(F)c3)sc2c1	ZINC000073635142	191333629	/nfs/dbraw/zinc/33/36/29/191333629.db2.gz	JEIHNPFEUUWGNI-UHFFFAOYSA-N	0	0	313.353	4.445	40	30		DIEBRN
CCCCS/C=C1\C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C1=O)[C@@H]23	ZINC000004990466	181185749	/nfs/dbraw/zinc/18/57/49/181185749.db2.gz	LBYJPWLLGLXJAE-XMCBYZKXSA-N	0	0	322.470	4.115	40	30		DIEBRN
Cc1ccc(-n2c(SCC#N)nnc2-c2cccc(C)c2)cc1	ZINC000004994017	181186757	/nfs/dbraw/zinc/18/67/57/181186757.db2.gz	LCRPLZXANBMMDS-UHFFFAOYSA-N	0	0	320.421	4.167	40	30		DIEBRN
C(=N/N=C\c1ccc(OCc2ccccc2)cc1)\c1ccco1	ZINC000005030371	181193020	/nfs/dbraw/zinc/19/30/20/181193020.db2.gz	HDIVFVPKKNQJMH-IWXNDQKYSA-N	0	0	304.349	4.312	40	30		DIEBRN
Cc1csc2nc(C)c(/C=N/Nc3ccc(Cl)cc3)n12	ZINC000005072202	181201415	/nfs/dbraw/zinc/20/14/15/181201415.db2.gz	XIESHAWTQPCARM-FRKPEAEDSA-N	0	0	304.806	4.112	40	30		DIEBRN
C=CCn1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc21	ZINC000005235206	181219597	/nfs/dbraw/zinc/21/95/97/181219597.db2.gz	ICUDKEOTRMKJOG-SDNWHVSQSA-N	0	0	303.409	4.459	40	30		DIEBRN
C=CC[C@@]1(O)C[C@@H](c2ccco2)N[C@H](c2ccco2)[C@H]1CCC	ZINC000005216273	181217465	/nfs/dbraw/zinc/21/74/65/181217465.db2.gz	HAJGRIJELRSGMX-LVFSCSRESA-N	0	0	315.413	4.372	40	30		DIEBRN
CC(N=Nc1cncc(Cl)n1)c1ccc2c3c(cccc31)CC2	ZINC000005369811	181235117	/nfs/dbraw/zinc/23/51/17/181235117.db2.gz	NSJKUQAXPPUJEK-JJFYIABZSA-N	0	0	322.799	4.218	40	30		DIEBRN
CC(=NNc1ccccc1C(F)(F)F)c1cc(F)ccc1O	ZINC000005294550	181226909	/nfs/dbraw/zinc/22/69/09/181226909.db2.gz	NGIZKJQBPKURMR-AWQFTUOYSA-N	0	0	312.266	4.386	40	30		DIEBRN
O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)cc2)cc1	ZINC000005344380	181232168	/nfs/dbraw/zinc/23/21/68/181232168.db2.gz	NSGHUWBIFDOYAF-OQLLNIDSSA-N	0	0	305.131	4.108	40	30		DIEBRN
C[C@@H]1CCC[C@@H](n2c(N)c(C#N)c3nc4ccccc4nc32)[C@@H]1C	ZINC000005416868	181240940	/nfs/dbraw/zinc/24/09/40/181240940.db2.gz	ZRVKUHPGRYCBQJ-XHBSWPGZSA-N	0	0	319.412	4.036	40	30		DIEBRN
C[C@@H]1CCC[C@H](n2c(N)c(C#N)c3nc4ccccc4nc32)[C@@H]1C	ZINC000005416861	181240951	/nfs/dbraw/zinc/24/09/51/181240951.db2.gz	ZRVKUHPGRYCBQJ-HSMVNMDESA-N	0	0	319.412	4.036	40	30		DIEBRN
CCc1ccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc1	ZINC000005551565	181256213	/nfs/dbraw/zinc/25/62/13/181256213.db2.gz	CJRRWLULBMGYHR-ATVHPVEESA-N	0	0	322.433	4.449	40	30		DIEBRN
N#Cc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1	ZINC000005616331	181264040	/nfs/dbraw/zinc/26/40/40/181264040.db2.gz	JKNOHIUZRWSJLF-SRZZPIQSSA-N	0	0	306.756	4.206	40	30		DIEBRN
C=CCOc1ccc(/C=N/N=C/c2ccc(OCC=C)cc2)cc1	ZINC000005830769	181287554	/nfs/dbraw/zinc/28/75/54/181287554.db2.gz	ANYQCJJBNKSAIF-YHARCJFQSA-N	0	0	320.392	4.269	40	30		DIEBRN
C=CC[C@@]1(O)C[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1CCC	ZINC000005904192	181294942	/nfs/dbraw/zinc/29/49/42/181294942.db2.gz	HAJGRIJELRSGMX-QGWWYQLQSA-N	0	0	315.413	4.372	40	30		DIEBRN
CC(N=Nc1nncc2ccccc21)c1cc2ccccc2o1	ZINC000006287676	181326701	/nfs/dbraw/zinc/32/67/01/181326701.db2.gz	IBASUQYYNADESE-UDWIEESQSA-N	0	0	302.337	4.212	40	30		DIEBRN
Cc1cc(N2CCCC2)ccc1C=C1C(=O)c2ccccc2C1=O	ZINC000006415097	181339262	/nfs/dbraw/zinc/33/92/62/181339262.db2.gz	XHMBQUXYDNIWRQ-UHFFFAOYSA-N	0	0	317.388	4.058	40	30		DIEBRN
COc1ccc(C(=O)O/N=C2\CCC\C2=C\c2ccccc2)cc1	ZINC000006411177	181339430	/nfs/dbraw/zinc/33/94/30/181339430.db2.gz	JPEHXBNJNKFMBG-UTZARXLKSA-N	0	0	321.376	4.476	40	30		DIEBRN
Cc1ccc(N[C@@H](C#N)c2ccc(Br)cc2)cc1	ZINC000006574020	181356538	/nfs/dbraw/zinc/35/65/38/181356538.db2.gz	NCLQFQUHSJZJGF-HNNXBMFYSA-N	0	0	301.187	4.434	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(F)cc2)c1	ZINC000219789855	201562811	/nfs/dbraw/zinc/56/28/11/201562811.db2.gz	ILTVSPUBKICXGO-CQSZACIVSA-N	0	0	313.372	4.272	40	30		DIEBRN
CCc1cccc2c1NC(=O)C2=NNc1ccc(C(C)C)cc1	ZINC000223733241	201655145	/nfs/dbraw/zinc/65/51/45/201655145.db2.gz	JPQVXZVFTRERHE-UHFFFAOYSA-N	0	0	307.397	4.141	40	30		DIEBRN
S=C1N=C(c2ccccc2)CN1N=Cc1c[nH]c2ccccc12	ZINC000008045174	181522679	/nfs/dbraw/zinc/52/26/79/181522679.db2.gz	JYMMOWYDHFAIEV-RGVLZGJSSA-N	0	0	318.405	4.202	40	30		DIEBRN
CS/C(=N\C#N)SCCCOc1c(C)ccc(C)c1C	ZINC000015444051	182002190	/nfs/dbraw/zinc/00/21/90/182002190.db2.gz	GMTDVMAVWDOHOV-BMRADRMJSA-N	0	0	308.472	4.314	40	30		DIEBRN
CS/C(=N\C#N)SCCOc1ccc(Cl)cc1Cl	ZINC000015443609	182002512	/nfs/dbraw/zinc/00/25/12/182002512.db2.gz	OJCLHRPITALKTM-RVDMUPIBSA-N	0	0	321.254	4.305	40	30		DIEBRN
CCc1ccc(C(=O)C[C@H](c2ccccc2)C(C#N)C#N)cc1	ZINC000016161483	182035616	/nfs/dbraw/zinc/03/56/16/182035616.db2.gz	UUIRQMIRAQOZIV-LJQANCHMSA-N	0	0	302.377	4.269	40	30		DIEBRN
Fc1c(F)c(F)c(N=NC=CCc2ccccc2)c(F)c1F	ZINC000016450898	182045015	/nfs/dbraw/zinc/04/50/15/182045015.db2.gz	FTFSFGYVUFSUOH-KACMKLLYSA-N	0	0	312.241	4.493	40	30		DIEBRN
CC[C@@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccccc3)c2C1	ZINC000016636863	182054929	/nfs/dbraw/zinc/05/49/29/182054929.db2.gz	BSSXXQUYULRJGE-CYBMUJFWSA-N	0	0	301.393	4.194	40	30		DIEBRN
CC(=C\C=N/N(C)c1ccccc1)/C=C1/Cc2ccccc2C1=O	ZINC000017064572	182073828	/nfs/dbraw/zinc/07/38/28/182073828.db2.gz	SBPVXQDVGFQDML-ZDUSFIEASA-N	0	0	316.404	4.420	40	30		DIEBRN
C=CCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1	ZINC000020244025	182199655	/nfs/dbraw/zinc/19/96/55/182199655.db2.gz	PCRYHDBFFGWSDQ-XMHGGMMESA-N	0	0	318.376	4.058	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1	ZINC000020672561	182242178	/nfs/dbraw/zinc/24/21/78/182242178.db2.gz	CYMRWFCCLMQKMZ-GOSISDBHSA-N	0	0	321.355	4.053	40	30		DIEBRN
CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1C	ZINC000020672600	182242336	/nfs/dbraw/zinc/24/23/36/182242336.db2.gz	QEHYHVKALABHNR-IBGZPJMESA-N	0	0	317.392	4.223	40	30		DIEBRN
N#CCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21	ZINC000022054504	182306971	/nfs/dbraw/zinc/30/69/71/182306971.db2.gz	PAPIVHGHEPOCNK-UHFFFAOYSA-N	0	0	302.164	4.374	40	30	in-vitro	DIEBRN
COc1ccc(/C=N\c2c(O)ccc3ccccc32)cc1OC	ZINC000022910912	182340381	/nfs/dbraw/zinc/34/03/81/182340381.db2.gz	WLADIRHKJOTLNV-NDENLUEZSA-N	0	0	307.349	4.313	40	30	in-vitro	DIEBRN
CC(C)c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1	ZINC000026841351	182455042	/nfs/dbraw/zinc/45/50/42/182455042.db2.gz	REWNVBWSLGGFIK-UHFFFAOYSA-N	0	0	309.413	4.129	40	30		DIEBRN
COc1cc([N+](=O)[O-])ccc1/N=C\c1ccc2ccccc2c1O	ZINC000100248533	193797107	/nfs/dbraw/zinc/79/71/07/193797107.db2.gz	OSXKIPLYPCLDKU-ODLFYWEKSA-N	0	0	322.320	4.213	40	30		DIEBRN
Cc1sc(NC(=O)Nc2ccc(F)cc2F)c(C#N)c1C	ZINC000032611051	182650039	/nfs/dbraw/zinc/65/00/39/182650039.db2.gz	STWVKZDLXLUJFK-UHFFFAOYSA-N	0	0	307.325	4.159	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1	ZINC000113955778	194623608	/nfs/dbraw/zinc/62/36/08/194623608.db2.gz	ITVDOWWRLRIOBP-IBGZPJMESA-N	0	0	309.409	4.441	40	30		DIEBRN
CCCCCCCCNC(=S)N1CCc2ccccc2C1	ZINC000059662026	256539521	/nfs/dbraw/zinc/53/95/21/256539521.db2.gz	DQKPOEYCHWUQDV-UHFFFAOYSA-N	0	0	304.503	4.280	40	30		DIEBRN
CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000070453886	257128342	/nfs/dbraw/zinc/12/83/42/257128342.db2.gz	ROOPPJUDIVRTAN-UHFFFAOYSA-N	0	0	311.341	4.093	40	30		DIEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl	ZINC000409269701	257220002	/nfs/dbraw/zinc/22/00/02/257220002.db2.gz	LVGNEBNSSSMFBT-UHFFFAOYSA-N	0	0	324.852	4.145	40	30		DIEBRN
O=C(C1=C(O)C(=Cc2ccccc2Cl)CC1)C(F)(F)F	ZINC000409344034	257220007	/nfs/dbraw/zinc/22/00/07/257220007.db2.gz	JQFBEXVFZNJVTM-KCOVVYJESA-N	0	0	302.679	4.461	40	30		DIEBRN
COc1ccc(Cl)cc1NC(C)=CC(=O)c1ccc(C)o1	ZINC000409361522	257220312	/nfs/dbraw/zinc/22/03/12/257220312.db2.gz	CZAFZMHPAONUFM-CSKARUKUSA-N	0	0	305.761	4.449	40	30		DIEBRN
Cc1ccc(C(=O)/C(=C/c2ccccc2)C(=O)C(F)(F)F)cc1	ZINC000409361658	257220314	/nfs/dbraw/zinc/22/03/14/257220314.db2.gz	QORIWDDCNVLYSN-PTNGSMBKSA-N	0	0	318.294	4.393	40	30		DIEBRN
COc1ccc(/N=C\c2ccc(N3CCCCC3)cc2OC)cc1	ZINC000409234811	257220477	/nfs/dbraw/zinc/22/04/77/257220477.db2.gz	MQJAZSVGRIUQMV-QNGOZBTKSA-N	0	0	324.424	4.445	40	30		DIEBRN
Cc1cc(NC=C2CCC[C@@H](C)C2=O)ccc1Br	ZINC000409173029	257221115	/nfs/dbraw/zinc/22/11/15/257221115.db2.gz	KSFVPOBIMHOFOM-WJEYQPDNSA-N	0	0	308.219	4.442	40	30		DIEBRN
Cc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1	ZINC000409185040	257221491	/nfs/dbraw/zinc/22/14/91/257221491.db2.gz	QJZBEJLMLIHROL-UDWIEESQSA-N	0	0	311.381	4.076	40	30		DIEBRN
Fc1cc(/C=N/c2cccc(Cl)c2)ccc1N1CCOCC1	ZINC000409133633	257221989	/nfs/dbraw/zinc/22/19/89/257221989.db2.gz	NLTPYNFQAONHIH-UDWIEESQSA-N	0	0	318.779	4.066	40	30		DIEBRN
C#CCOc1c(CC=C)cc(CNc2ccccc2C)cc1OC	ZINC000409121446	257222344	/nfs/dbraw/zinc/22/23/44/257222344.db2.gz	VEKMEARJIDVTBJ-UHFFFAOYSA-N	0	0	321.420	4.356	40	30		DIEBRN
CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(CC)cc1	ZINC000409104870	257222798	/nfs/dbraw/zinc/22/27/98/257222798.db2.gz	KLLWMRZSCQWFPP-BUHFOSPRSA-N	0	0	323.392	4.234	40	30		DIEBRN
COc1cc2c(cc1/C=N/c1ccc3ccccc3c1)OCO2	ZINC000409109227	257223068	/nfs/dbraw/zinc/22/30/68/257223068.db2.gz	ZXCAGCXAWSHRRG-RGVLZGJSSA-N	0	0	305.333	4.328	40	30		DIEBRN
C#CCOc1ccc(CNc2cccc(Cl)c2C)cc1OC	ZINC000409109289	257223114	/nfs/dbraw/zinc/22/31/14/257223114.db2.gz	BACATZBYPBCUBJ-UHFFFAOYSA-N	0	0	315.800	4.281	40	30		DIEBRN
CCOc1ccc(Cl)cc1/C=N\c1ccc2c(c1)OCO2	ZINC000409106210	257223148	/nfs/dbraw/zinc/22/31/48/257223148.db2.gz	MWBISWQMSJONOE-NVMNQCDNSA-N	0	0	303.745	4.218	40	30		DIEBRN
CCOc1ccc(/C=N/c2oc(C)c(C)c2C#N)c(OCC)c1	ZINC000409091813	257223553	/nfs/dbraw/zinc/22/35/53/257223553.db2.gz	RYSLLGAXFQPNJJ-RGVLZGJSSA-N	0	0	312.369	4.316	40	30		DIEBRN
Cc1ccc(C)c(/N=C\c2ccc(N3CCOCC3)cc2C)c1	ZINC000409071634	257223578	/nfs/dbraw/zinc/22/35/78/257223578.db2.gz	KTCLQEVTZPGGOH-STZFKDTASA-N	0	0	308.425	4.199	40	30		DIEBRN
CCCOc1c(Cl)cc(/C=C2\C(=O)ON=C2C)cc1Cl	ZINC000409089594	257223580	/nfs/dbraw/zinc/22/35/80/257223580.db2.gz	NETGJFNRMFACAN-YHYXMXQVSA-N	0	0	314.168	4.098	40	30		DIEBRN
CCn1c(C)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1C	ZINC000409091480	257223593	/nfs/dbraw/zinc/22/35/93/257223593.db2.gz	USTLPZPICHINOY-RQZCQDPDSA-N	0	0	305.765	4.437	40	30		DIEBRN
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc([N+](=O)[O-])cc1	ZINC000408976977	257224618	/nfs/dbraw/zinc/22/46/18/257224618.db2.gz	UDWORTDSBBHVFU-XDHOZWIPSA-N	0	0	320.352	4.148	40	30		DIEBRN
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1cccc([N+](=O)[O-])c1	ZINC000408973886	257225029	/nfs/dbraw/zinc/22/50/29/257225029.db2.gz	CFQBYDIYKUXXQU-XDHOZWIPSA-N	0	0	320.352	4.148	40	30		DIEBRN
CC/N=C1/S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1CC	ZINC000408928642	257225168	/nfs/dbraw/zinc/22/51/68/257225168.db2.gz	CTYJIEJGBYSPQY-YKTCQIRHSA-N	0	0	316.470	4.296	40	30		DIEBRN
COc1ccc(-n2cccc2C=Nc2cccc(C(C)=O)c2)cc1	ZINC000408952598	257225217	/nfs/dbraw/zinc/22/52/17/257225217.db2.gz	LXQROOHQQOMXQD-KGENOOAVSA-N	0	0	318.376	4.439	40	30		DIEBRN
CN(C)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1	ZINC000408962002	257225505	/nfs/dbraw/zinc/22/55/05/257225505.db2.gz	WVAUYJMYZQFMOQ-PGMHBOJBSA-N	0	0	307.441	4.494	40	30		DIEBRN
CC1=NOC(=O)/C1=C/c1ccccc1OCc1cc(C)cc(C)c1	ZINC000408945609	257225521	/nfs/dbraw/zinc/22/55/21/257225521.db2.gz	XBLAQTNHHQKTHL-WOJGMQOQSA-N	0	0	321.376	4.199	40	30		DIEBRN
O=[N+]([O-])c1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1	ZINC000408853927	257226354	/nfs/dbraw/zinc/22/63/54/257226354.db2.gz	ZZKVKLATIFEYPN-XMHGGMMESA-N	0	0	309.369	4.336	40	30		DIEBRN
COC(=O)c1cccc(/N=C\c2cccn2-c2ccccc2)c1	ZINC000408810505	257226802	/nfs/dbraw/zinc/22/68/02/257226802.db2.gz	KVFWZLQYYKGHJO-ZHZULCJRSA-N	0	0	304.349	4.015	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C)c1C	ZINC000408739923	257227367	/nfs/dbraw/zinc/22/73/67/257227367.db2.gz	GPZNGRRNDVMHMO-RONKMWSCSA-N	0	0	305.381	4.045	40	30		DIEBRN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)cc1C	ZINC000408739402	257227396	/nfs/dbraw/zinc/22/73/96/257227396.db2.gz	BMPLAIKBMHAWHW-RONKMWSCSA-N	0	0	305.381	4.045	40	30		DIEBRN
CN(C)c1ccc(CC=CN=Nc2nc3ccccc3s2)cc1	ZINC000408733037	257227494	/nfs/dbraw/zinc/22/74/94/257227494.db2.gz	DKSXGMFLESZCHV-NRNUCHLISA-N	0	0	322.437	4.473	40	30		DIEBRN
Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1C(C)(C)C	ZINC000408596752	257229260	/nfs/dbraw/zinc/22/92/60/257229260.db2.gz	UDNZUJOQDDVRQB-CIAFOILYSA-N	0	0	309.413	4.282	40	30		DIEBRN
COc1cc(Cl)c(/C=C/C(=O)c2ccccc2)cc1OC	ZINC000408622153	257229434	/nfs/dbraw/zinc/22/94/34/257229434.db2.gz	OJLDLCYPVVPFML-CMDGGOBGSA-N	0	0	302.757	4.253	40	30		DIEBRN
C=CCOc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1	ZINC000408571645	257229566	/nfs/dbraw/zinc/22/95/66/257229566.db2.gz	CCCVRGXIUXNOBJ-UHFFFAOYSA-N	0	0	317.841	4.370	40	30		DIEBRN
COc1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1Cl	ZINC000408549149	257230252	/nfs/dbraw/zinc/23/02/52/257230252.db2.gz	PXFMYFVMGKNUTN-VXLYETTFSA-N	0	0	319.788	4.425	40	30		DIEBRN
C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1ccc(Cl)cn1	ZINC000518760952	332929357	/nfs/dbraw/zinc/92/93/57/332929357.db2.gz	SQDOKPSHMZJPHO-NSHDSACASA-N	0	0	312.804	4.054	40	30		DIEBRN
CCOC(=O)c1cccc(N=Cc2c(O)ccc3ccccc32)c1	ZINC000260840530	333624056	/nfs/dbraw/zinc/62/40/56/333624056.db2.gz	ARLOXIZLSGCIGG-UHFFFAOYSA-N	0	0	319.360	4.473	40	30		DIEBRN
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C/CO	ZINC000263601267	333945825	/nfs/dbraw/zinc/94/58/25/333945825.db2.gz	KXVALZPKSDUKFU-ZODPFXIJSA-N	0	0	312.453	4.357	40	30		DIEBRN
C=CCc1cc(C(=O)NCCCc2cccc(C)c2)ccc1OC	ZINC000013670656	519128255	/nfs/dbraw/zinc/12/82/55/519128255.db2.gz	HUMZHMBUMOBFNH-UHFFFAOYSA-N	0	0	323.436	4.095	40	30		DIEBRN
CCCCCCCCCCCc1noc2c1C(=O)[C@H](O)CC2	ZINC000001616951	520017499	/nfs/dbraw/zinc/01/74/99/520017499.db2.gz	HETUFXIBHGGXFY-OAHLLOKOSA-N	0	0	307.434	4.238	40	30		DIEBRN
CC/C(=N/NC(=S)Nc1cc(C)ccc1C)c1ccccc1	ZINC000033772751	520177651	/nfs/dbraw/zinc/17/76/51/520177651.db2.gz	XVONCLCQNVFBGB-SILNSSARSA-N	0	0	311.454	4.404	40	30		DIEBRN
S=C(N/C(=N/c1ccccc1)c1ccccc1)N1CCCCC1	ZINC000032501418	526382511	/nfs/dbraw/zinc/38/25/11/526382511.db2.gz	LBSSEQYKFIASGI-UHFFFAOYSA-N	0	0	323.465	4.125	40	30		DIEBRN
O=C(/C(=N\OCc1ccccc1)c1ccccc1)c1ccccc1	ZINC000016891035	527592312	/nfs/dbraw/zinc/59/23/12/527592312.db2.gz	STPVFPULFIBVFB-XDOYNYLZSA-N	0	0	315.372	4.490	40	30		DIEBRN
O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccccc1	ZINC000016451247	527653225	/nfs/dbraw/zinc/65/32/25/527653225.db2.gz	ZVRFOEQBSIWGHC-KHPPLWFESA-N	0	0	307.271	4.394	40	30		DIEBRN
O=C1c2ccccc2C(=O)C(SCc2ccccc2)=C1Cl	ZINC000001756561	563295298	/nfs/dbraw/zinc/29/52/98/563295298.db2.gz	MZJPVYZIMKYPCN-UHFFFAOYSA-N	0	0	314.793	4.449	40	30		DIEBRN
COc1cc(OC)c(OC)cc1/C=N/C1CCCCCCC1	ZINC000001761001	563295360	/nfs/dbraw/zinc/29/53/60/563295360.db2.gz	ZRPAEYATNWCADE-CPNJWEJPSA-N	0	0	305.418	4.244	40	30		DIEBRN
CCCS/C(=N\C#N)S/C=C/C(=O)c1ccc(OC)cc1	ZINC000002146366	563300111	/nfs/dbraw/zinc/30/01/11/563300111.db2.gz	OPDPBHOYVQBJFY-ARBZGMGISA-N	0	0	320.439	4.105	40	30		DIEBRN
O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C/c1ccccc1	ZINC000006863904	563334704	/nfs/dbraw/zinc/33/47/04/563334704.db2.gz	JMKNMUUKUDRTGR-NTEUORMPSA-N	0	0	314.797	4.232	40	30		DIEBRN
O/N=C1C(=C\c2ccccc2)/CCC[C@@H]/1[C@H](NO)c1ccccc1	ZINC000008653100	563348706	/nfs/dbraw/zinc/34/87/06/563348706.db2.gz	ZRUMPUDVEPDHPW-BKVCFYNMSA-N	0	0	322.408	4.420	40	30		DIEBRN
COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1	ZINC000009196969	563352463	/nfs/dbraw/zinc/35/24/63/563352463.db2.gz	HITFZSCYWZHXGB-GIJQJNRQSA-N	0	0	309.196	4.126	40	30		DIEBRN
Oc1ccccc1C=Nc1ccc2[nH]c(C(F)(F)F)nc2c1	ZINC000013233785	563380352	/nfs/dbraw/zinc/38/03/52/563380352.db2.gz	ADANGEKSCWPVHL-UFWORHAWSA-N	0	0	305.259	4.038	40	30		DIEBRN
COc1ccc(Cl)c(C=NNc2ccc(Cl)cc2)c1O	ZINC000036612585	563408208	/nfs/dbraw/zinc/40/82/08/563408208.db2.gz	DOTRGAMBQSZSAA-CAOOACKPSA-N	0	0	311.168	4.154	40	30		DIEBRN
Cc1cccc(NC2=NC(=O)SC2=Cc2ccccc2O)c1	ZINC000032597684	563442701	/nfs/dbraw/zinc/44/27/01/563442701.db2.gz	ZQCFABDFVYHTIH-GDNBJRDFSA-N	0	0	310.378	4.228	40	30		DIEBRN
CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CC#N)cc1	ZINC000038771232	563460190	/nfs/dbraw/zinc/46/01/90/563460190.db2.gz	JZOKEZGRFLUCPK-GOSISDBHSA-N	0	0	322.408	4.166	40	30		DIEBRN
CCC=C1C(=O)C(=O)C2=C(C=CC3=C(C)C(C)=CC[C@@]32C)C1=O	ZINC000068601696	563495721	/nfs/dbraw/zinc/49/57/21/563495721.db2.gz	PKJLKIUDWLIKGU-XJDXJNMNSA-N	0	0	308.377	4.066	40	30		DIEBRN
C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000257345701	563514789	/nfs/dbraw/zinc/51/47/89/563514789.db2.gz	GTGHOZSZMIUVEG-GAQVFZABSA-N	0	0	314.469	4.291	40	30		DIEBRN
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc1	ZINC000223020520	563526948	/nfs/dbraw/zinc/52/69/48/563526948.db2.gz	KIJKXGLBRMNGDF-OAHLLOKOSA-N	0	0	309.409	4.305	40	30		DIEBRN
CCOC(=O)c1cccc(/N=C\c2c(O)ccc3ccccc32)c1	ZINC000100248230	563548713	/nfs/dbraw/zinc/54/87/13/563548713.db2.gz	ARLOXIZLSGCIGG-BKUYFWCQSA-N	0	0	319.360	4.473	40	30		DIEBRN
CCCCCCCCC/C=C/C[C@H](CC(=O)OC)C(=O)OC	ZINC000103632984	563561120	/nfs/dbraw/zinc/56/11/20/563561120.db2.gz	DBVBICACWKCOMI-CJTWTEFWSA-N	0	0	312.450	4.426	40	30		DIEBRN
Nc1cc(Cl)c(Cl)cc1/N=C\c1ccccc1[N+](=O)[O-]	ZINC000104115643	563562564	/nfs/dbraw/zinc/56/25/64/563562564.db2.gz	SAECVQAIPLRJPK-IDUWFGFVSA-N	0	0	310.140	4.234	40	30		DIEBRN
CCCCCCCCCCCCOC(=O)[C@@H](C)OC(C)=O	ZINC000104174524	563563013	/nfs/dbraw/zinc/56/30/13/563563013.db2.gz	CVMGTQQQHNSKAB-OAHLLOKOSA-N	0	0	300.439	4.402	40	30		DIEBRN
CN(C)/C(=N\C(=O)Nc1ccccc1)SCc1ccccc1	ZINC000104276717	563563643	/nfs/dbraw/zinc/56/36/43/563563643.db2.gz	UMKMXJSLXGRACM-HTXNQAPBSA-N	0	0	313.426	4.070	40	30		DIEBRN
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\O	ZINC000118927718	563593584	/nfs/dbraw/zinc/59/35/84/563593584.db2.gz	SGALQGQEDXLRTC-CEUOGKKWSA-N	0	0	305.462	4.220	40	30		DIEBRN
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4C(=O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118933836	563594003	/nfs/dbraw/zinc/59/40/03/563594003.db2.gz	RXXBBHGCAXVBES-NTSZXJHNSA-N	0	0	318.457	4.155	40	30		DIEBRN
C=CCOc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1	ZINC000224436466	563596147	/nfs/dbraw/zinc/59/61/47/563596147.db2.gz	LFJBXQRQYMXULF-UHFFFAOYSA-N	0	0	301.773	4.086	40	30		DIEBRN
C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1	ZINC000225942251	563604731	/nfs/dbraw/zinc/60/47/31/563604731.db2.gz	XPHNAPHXXRLOQM-UHFFFAOYSA-N	0	0	309.409	4.459	40	30		DIEBRN
C=CCC(C)(C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1	ZINC000225956674	563604767	/nfs/dbraw/zinc/60/47/67/563604767.db2.gz	LCIZGAZEORNWGF-UHFFFAOYSA-N	0	0	301.308	4.255	40	30		DIEBRN
Cc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1	ZINC000000807503	563613738	/nfs/dbraw/zinc/61/37/38/563613738.db2.gz	CZKAYGTXNNVTDU-UHFFFAOYSA-N	0	0	321.420	4.038	40	30		DIEBRN
Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1cccc(F)c1	ZINC000225879578	563617713	/nfs/dbraw/zinc/61/77/13/563617713.db2.gz	BPVULRXBVXBEGW-UHFFFAOYSA-N	0	0	321.355	4.230	40	30		DIEBRN
Cc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccccc1	ZINC000225879381	563618016	/nfs/dbraw/zinc/61/80/16/563618016.db2.gz	SSZRLAJFBVQWEB-UHFFFAOYSA-N	0	0	303.365	4.091	40	30		DIEBRN
Cc1ccc(/N=C2\S/C(=C/c3cccs3)C(=O)N2C)cc1	ZINC000100259423	563628752	/nfs/dbraw/zinc/62/87/52/563628752.db2.gz	LIXXVCGZEHURAV-CRPPYINASA-N	0	0	314.435	4.290	40	30		DIEBRN
Oc1cc(Cl)ccc1/N=C\c1ccc(N2CCCC2)cc1	ZINC000101749901	563634323	/nfs/dbraw/zinc/63/43/23/563634323.db2.gz	WQINTCUWISYSQC-UNOMPAQXSA-N	0	0	300.789	4.396	40	30		DIEBRN
N#Cc1cc(N)c(Sc2ccccc2)n1Cc1cccc(F)c1	ZINC000225888019	563649135	/nfs/dbraw/zinc/64/91/35/563649135.db2.gz	QBXXKTWIRAVJPO-UHFFFAOYSA-N	0	0	323.396	4.281	40	30		DIEBRN
Cc1nc2cc(N=Cc3cccc(Br)c3)ccc2[nH]1	ZINC000013233489	563657369	/nfs/dbraw/zinc/65/73/69/563657369.db2.gz	PPHYBZQDLWYOHF-RQZCQDPDSA-N	0	0	314.186	4.384	40	30		DIEBRN
N#CCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000015030151	563673636	/nfs/dbraw/zinc/67/36/36/563673636.db2.gz	PCNDLRHHZVKZKL-UHFFFAOYSA-N	0	0	305.164	4.312	40	30		DIEBRN
O=[N+]([O-])c1ccccc1CC=CN=Nc1nc2ccccc2s1	ZINC000003213026	563680404	/nfs/dbraw/zinc/68/04/04/563680404.db2.gz	RVUWYJDSCGQYAE-ARCZGTBSSA-N	0	0	324.365	4.316	40	30		DIEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2Cc2cccc(C)c2)c1	ZINC000225856049	563765403	/nfs/dbraw/zinc/76/54/03/563765403.db2.gz	FKXWWFYGMPRKBH-UHFFFAOYSA-N	0	0	315.420	4.198	40	30		DIEBRN
CCCc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl	ZINC000225856474	563765482	/nfs/dbraw/zinc/76/54/82/563765482.db2.gz	AXYFWSONXJDXGH-UHFFFAOYSA-N	0	0	308.212	4.250	40	30		DIEBRN
C=CCc1cc(C=Nc2cccc(C(C)=O)c2)cc(OCC)c1O	ZINC000059679088	563772420	/nfs/dbraw/zinc/77/24/20/563772420.db2.gz	TXJMJVHMKLHXAF-FYJGNVAPSA-N	0	0	323.392	4.473	40	30		DIEBRN
N#CCCC1(CCC#N)c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000255187475	563786276	/nfs/dbraw/zinc/78/62/76/563786276.db2.gz	DSQQOPXFXRKGIR-UHFFFAOYSA-N	0	0	317.348	4.469	40	30		DIEBRN
O=C1CCCC(=O)C1C(C1C(=O)CCCC1=O)[C@@H]1CC=CCC1	ZINC000255187933	563786331	/nfs/dbraw/zinc/78/63/31/563786331.db2.gz	HSONRAHAWFBKLD-GFCCVEGCSA-N	0	0	316.397	4.089	40	30		DIEBRN
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C	ZINC000263608274	563794489	/nfs/dbraw/zinc/79/44/89/563794489.db2.gz	TTWYUPSVWLOIRF-RFVXBFLTSA-N	0	0	316.441	4.060	40	30		DIEBRN
COc1ccccc1/N=C(/c1ccccc1)n1nc(C)cc1C	ZINC000100290381	563820923	/nfs/dbraw/zinc/82/09/23/563820923.db2.gz	AYWFWOPJOPXLOT-VXPUYCOJSA-N	0	0	305.381	4.135	40	30		DIEBRN
C#CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(Cl)c1	ZINC000216813074	563855486	/nfs/dbraw/zinc/85/54/86/563855486.db2.gz	ROYIGABHXBUDPN-UHFFFAOYSA-N	0	0	314.768	4.017	40	30		DIEBRN
C=CCOC(=O)/C=C/c1cccc(OCc2ccc(F)cc2)c1	ZINC000216894784	563857039	/nfs/dbraw/zinc/85/70/39/563857039.db2.gz	ANARHXPMMVURBZ-DHZHZOJOSA-N	0	0	312.340	4.147	40	30		DIEBRN
Cc1cc(C#N)c(C)n1-c1ccc(Cl)cc1Br	ZINC000223706441	563863586	/nfs/dbraw/zinc/86/35/86/563863586.db2.gz	BEMOKRLVXNEUMW-UHFFFAOYSA-N	0	0	309.594	4.382	40	30		DIEBRN
N#Cc1c(N)c(C#N)c(-c2ccccc2)cc1-c1cccs1	ZINC000001617179	563863771	/nfs/dbraw/zinc/86/37/71/563863771.db2.gz	NSOVAGFDTXJIAP-UHFFFAOYSA-N	0	0	301.374	4.408	40	30		DIEBRN
CCCCCCCCCCC=C1C(=O)C(=O)CC(OC)C1=O	ZINC000008234343	563868726	/nfs/dbraw/zinc/86/87/26/563868726.db2.gz	KHBJLRRAMCJZLZ-UHFFFAOYSA-N	0	0	308.418	4.402	40	30	endogenous,in-man	DIEBRN
C=C(C)COc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1	ZINC000219782850	563869107	/nfs/dbraw/zinc/86/91/07/563869107.db2.gz	JLYWBZHKSNGKRW-UHFFFAOYSA-N	0	0	303.308	4.172	40	30		DIEBRN
C=C(C)COc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1	ZINC000219784516	563869166	/nfs/dbraw/zinc/86/91/66/563869166.db2.gz	XHWNBBBYURNASE-QGZVFWFLSA-N	0	0	323.436	4.393	40	30		DIEBRN
N#CCCC1(CCC#N)c2ccccc2C(=O)c2ccccc21	ZINC000001606327	563894223	/nfs/dbraw/zinc/89/42/23/563894223.db2.gz	UEAAJEKNAGKTKF-UHFFFAOYSA-N	0	0	300.361	4.125	40	30		DIEBRN
C#CCOC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	ZINC000226256335	563913229	/nfs/dbraw/zinc/91/32/29/563913229.db2.gz	FGBUYRYUVADALC-VQHVLOKHSA-N	0	0	300.741	4.098	40	30		DIEBRN
CCc1cccc2c(C#N)cn(CCOc3ccc(OC)cc3)c21	ZINC000006945301	563921586	/nfs/dbraw/zinc/92/15/86/563921586.db2.gz	PSCUSBCLGKTLMM-UHFFFAOYSA-N	0	0	320.392	4.163	40	30		DIEBRN
CCOc1ccc(/N=C/c2cc(Cl)c(O)c(OC)c2)cc1	ZINC000006962137	563921791	/nfs/dbraw/zinc/92/17/91/563921791.db2.gz	LFNMSQVCBZXBAK-VCHYOVAHSA-N	0	0	305.761	4.204	40	30		DIEBRN
C#CCOc1ccc(/C=N/c2cccc(C)c2C)cc1OCC	ZINC000006960568	563921848	/nfs/dbraw/zinc/92/18/48/563921848.db2.gz	AOVAVAVWZXPNPB-KGENOOAVSA-N	0	0	307.393	4.465	40	30		DIEBRN
N#Cc1ccccc1COc1ccc(/C=C/[N+](=O)[O-])cc1Cl	ZINC000107697331	563923429	/nfs/dbraw/zinc/92/34/29/563923429.db2.gz	AKQPPWFOGISVIM-BQYQJAHWSA-N	0	0	314.728	4.038	40	30		DIEBRN
COc1cccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)c1	ZINC000006626242	563924457	/nfs/dbraw/zinc/92/44/57/563924457.db2.gz	GSTVIMNKSIMJHU-FYJGNVAPSA-N	0	0	312.388	4.494	40	30		DIEBRN
CCCCCOc1ccccc1CN=Nc1nc(C)cs1	ZINC000012129127	563924496	/nfs/dbraw/zinc/92/44/96/563924496.db2.gz	DDQOYOGLADZVJY-GZTJUZNOSA-N	0	0	303.431	4.467	40	30		DIEBRN
Cc1ccc(Cc2nnc(SCc3cccc(C#N)c3)o2)cc1	ZINC000009199193	563927634	/nfs/dbraw/zinc/92/76/34/563927634.db2.gz	OLDNDXMACVYDNF-UHFFFAOYSA-N	0	0	321.405	4.133	40	30		DIEBRN
Cc1ccc(Cc2nnc(SCc3ccc(C#N)cc3)o2)cc1	ZINC000009199132	563927703	/nfs/dbraw/zinc/92/77/03/563927703.db2.gz	UJFMGTQTVYPJGA-UHFFFAOYSA-N	0	0	321.405	4.133	40	30		DIEBRN
Cc1ccc(COc2ccc(Br)cc2/C=N\O)cc1	ZINC000013111956	563929404	/nfs/dbraw/zinc/92/94/04/563929404.db2.gz	FQMYXPDAYYKMCF-MFOYZWKCSA-N	0	0	320.186	4.145	40	30		DIEBRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(O)=C(C=O)C[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000013408317	563929430	/nfs/dbraw/zinc/92/94/30/563929430.db2.gz	DKCLFTBKKHWBQS-MHNKZHIMSA-N	0	0	318.457	4.011	40	30		DIEBRN
N#Cc1ccc(Cn2c3ccccc3nc2-c2ccccn2)cc1	ZINC000028539478	563939610	/nfs/dbraw/zinc/93/96/10/563939610.db2.gz	DMCFXORSMXZHGD-UHFFFAOYSA-N	0	0	310.360	4.018	40	30		DIEBRN
CCOc1ccccc1-c1c(C#N)c(N)ncc1-c1ccccc1	ZINC000408987368	563960491	/nfs/dbraw/zinc/96/04/91/563960491.db2.gz	WXAHEFOAERZIOS-UHFFFAOYSA-N	0	0	315.376	4.268	40	30		DIEBRN
CCCCCCCCCC(=O)N[C@H](C)[C@H](O)c1ccccc1	ZINC000001567952	568412312	/nfs/dbraw/zinc/41/23/12/568412312.db2.gz	BRCZCDQNJZAAGC-APWZRJJASA-N	0	0	305.462	4.365	40	30		DIEBRN
C=CCOc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1	ZINC000225307551	1044421197	/nfs/dbraw/zinc/42/11/97/1044421197.db2.gz	TYLWQJBNDRHWIS-UHFFFAOYSA-N	0	0	315.800	4.476	40	30		DIEBRN
C[C@@H]1C=C2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@]2(C)CCC(=O)C=C12	ZINC000263592636	1044813753	/nfs/dbraw/zinc/81/37/53/1044813753.db2.gz	AIIKBXMSWCMKJB-LNYZBJOMSA-N	0	0	300.442	4.045	40	30		DIEBRN
C[C@@H]1C[C@@H]2C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12	ZINC000263600096	1044813778	/nfs/dbraw/zinc/81/37/78/1044813778.db2.gz	JQIGNJUHWXILBM-UZGBSKFNSA-N	0	0	302.458	4.125	40	30		DIEBRN
C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C/C1=N\O	ZINC000253498553	1053352753	/nfs/dbraw/zinc/35/27/53/1053352753.db2.gz	KHGGBQIXVJTINV-NIHYUVJCSA-N	0	0	319.489	4.466	40	30		DIEBRN
C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C/C1=N\O	ZINC000253498552	1053352789	/nfs/dbraw/zinc/35/27/89/1053352789.db2.gz	KHGGBQIXVJTINV-MXOKELLXSA-N	0	0	319.489	4.466	40	30		DIEBRN
COc1cc([N+](=O)[O-])ccc1N=Cc1ccc2ccccc2c1O	ZINC000254385041	1053417295	/nfs/dbraw/zinc/41/72/95/1053417295.db2.gz	OSXKIPLYPCLDKU-UHFFFAOYSA-N	0	0	322.320	4.213	40	30		DIEBRN
CN(C)c1ccc(-n2cccc2/C=N/Cc2ccccc2)cc1	ZINC000198076078	1055709022	/nfs/dbraw/zinc/70/90/22/1055709022.db2.gz	MYVQBCOXZPHBJD-LTGZKZEYSA-N	0	0	303.409	4.162	40	30		DIEBRN
Cc1cc(/C=N\O)cc(C)c1OC(=O)c1ccc(C(C)C)cc1	ZINC000256052708	1056927250	/nfs/dbraw/zinc/92/72/50/1056927250.db2.gz	OILWRUDWCBVQQU-JAIQZWGSSA-N	0	0	311.381	4.454	40	30		DIEBRN