smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](CO)Nc1nc(Nc2ccccc2C#N)cc(-c2ccncc2)n1	ZINC000329004262	203845748	/nfs/dbraw/zinc/84/57/48/203845748.db2.gz	KQNASAYMHQQKHA-IBGZPJMESA-N	0	0	374.448	3.005	40	30		FGEBRN
CC1=CC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000004837629	204167605	/nfs/dbraw/zinc/16/76/05/204167605.db2.gz	QLAPPSIXOBEVQR-NPTFKWCASA-N	0	0	366.373	3.465	40	30		FGEBRN
CN(C)/C=C(\C(=O)c1cccs1)c1nnnn1-c1ccc(Cl)cc1	ZINC000005508811	204212362	/nfs/dbraw/zinc/21/23/62/204212362.db2.gz	FMYOISUOJGQOMU-JLHYYAGUSA-N	0	0	359.842	3.163	40	30		FGEBRN
CNC(=S)N/N=C(\C)CCCCCCCC/C(C)=N\NC(=S)NC	ZINC000004916664	204176060	/nfs/dbraw/zinc/17/60/60/204176060.db2.gz	WVKDQIOSPPCJBV-LRVMPXQBSA-N	0	0	372.608	3.047	40	30		FGEBRN
Cc1ccc(-c2nc(=C(C#N)C#N)s/c2=C/c2ccc(N(C)C)cc2)cc1	ZINC000035196413	204987390	/nfs/dbraw/zinc/98/73/90/204987390.db2.gz	DSCVDSWULZGXMT-UDWIEESQSA-N	0	0	370.481	3.211	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1	ZINC000000794987	206134260	/nfs/dbraw/zinc/13/42/60/206134260.db2.gz	YZOZYNJBZKFQDH-YOEHRIQHSA-N	0	0	353.374	3.037	40	30		FGEBRN
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/N1CCOCC1	ZINC000003576260	206163361	/nfs/dbraw/zinc/16/33/61/206163361.db2.gz	DFNNISWVWBXQJR-VXLYETTFSA-N	0	0	353.253	3.213	40	30		FGEBRN
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(SC)cc1)CC(=O)N2	ZINC000004944372	206185346	/nfs/dbraw/zinc/18/53/46/206185346.db2.gz	JMHIXIVIBVSFOL-LBPRGKRZSA-N	0	0	359.476	3.244	40	30		FGEBRN
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1	ZINC000057589419	206385526	/nfs/dbraw/zinc/38/55/26/206385526.db2.gz	IWXXNDGCVDRIEG-UHFFFAOYSA-N	0	0	357.479	3.296	40	30		FGEBRN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(N(C)C)o1	ZINC000408797499	263496182	/nfs/dbraw/zinc/49/61/82/263496182.db2.gz	SDEOCWKCNCSGTR-KRWDZBQOSA-N	0	0	364.401	3.087	40	30		FGEBRN
COc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1OCC(N)=O	ZINC000408932215	263507554	/nfs/dbraw/zinc/50/75/54/263507554.db2.gz	UXFJPRJKMJPHAM-AFPJDJCSSA-N	0	0	367.327	3.024	40	30		FGEBRN
COc1ccc(Cl)cc1C/C=N\NS(=O)(=O)c1ccc(C)cc1	ZINC000005031035	493908915	/nfs/dbraw/zinc/90/89/15/493908915.db2.gz	NXJDZSFTKFIIKL-ZDLGFXPLSA-N	0	0	352.843	3.164	40	30		FGEBRN
N#CC(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1	ZINC000006080283	493950778	/nfs/dbraw/zinc/95/07/78/493950778.db2.gz	LNHNEKDPKMRMEP-UHFFFAOYSA-N	0	0	372.407	3.226	40	30		FGEBRN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCc4ccccc43)C2)n1	ZINC000081808613	493958149	/nfs/dbraw/zinc/95/81/49/493958149.db2.gz	MOYMQNBXVMCTSF-LJQANCHMSA-N	0	0	360.461	3.458	40	30		FGEBRN
COc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1	ZINC000033656712	494061756	/nfs/dbraw/zinc/06/17/56/494061756.db2.gz	CKHSYKHLBKSMRL-ATVHPVEESA-N	0	0	365.414	3.489	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008554503	494096604	/nfs/dbraw/zinc/09/66/04/494096604.db2.gz	UILGRZFCGKKMCU-UHFFFAOYSA-N	0	0	359.769	3.416	40	30		FGEBRN
C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccco1)C2	ZINC000009936440	494137289	/nfs/dbraw/zinc/13/72/89/494137289.db2.gz	ADLUGYKIBMUSME-AWEZNQCLSA-N	0	0	363.421	3.383	40	30		FGEBRN
CC(=O)Nc1ccc(C#CC2(NC(=O)C3CCCC3)CCCCC2)cn1	ZINC000012144120	494208438	/nfs/dbraw/zinc/20/84/38/494208438.db2.gz	CXJWLYHJLDUFSZ-UHFFFAOYSA-N	0	0	353.466	3.401	40	30		FGEBRN
C=CCn1cc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c(C)n1	ZINC000012187406	494212032	/nfs/dbraw/zinc/21/20/32/494212032.db2.gz	XEZQHGCBWRZQOM-LJQANCHMSA-N	0	0	369.465	3.287	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1	ZINC000044904375	494387213	/nfs/dbraw/zinc/38/72/13/494387213.db2.gz	FYHXXLOOSRDYRR-UHFFFAOYSA-N	0	0	356.447	3.342	40	30		FGEBRN
O=C1/C(=C/c2ccccc2O)SC(=S)N1/N=C/c1ccccc1O	ZINC000016672838	494399030	/nfs/dbraw/zinc/39/90/30/494399030.db2.gz	NLNCJEQLEVFVPZ-PFVOVTSXSA-N	0	0	356.428	3.333	40	30		FGEBRN
O=C(NC1CCCC1)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1	ZINC000019399836	494445247	/nfs/dbraw/zinc/44/52/47/494445247.db2.gz	VAASKGMUEAVNPZ-UHFFFAOYSA-N	0	0	356.429	3.340	40	30		FGEBRN
CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1C(=O)C[C@H](C)CC1=N2	ZINC000019959587	494465528	/nfs/dbraw/zinc/46/55/28/494465528.db2.gz	ZTTGTBCAVBHXNU-HWPZZCPQSA-N	0	0	356.451	3.364	40	30		FGEBRN
N=C(N/N=C/c1ccc(Cl)cc1)C(=N)N/N=C\c1ccc(Cl)cc1	ZINC000104368974	495280469	/nfs/dbraw/zinc/28/04/69/495280469.db2.gz	XHFZIWQWSZRZCA-CHQRTDLRSA-N	0	0	361.236	3.495	40	30		FGEBRN
Cc1nn(C)c(F)c1CN=Nc1nc(-c2ccco2)cc(C(F)(F)F)n1	ZINC000252495806	497306523	/nfs/dbraw/zinc/30/65/23/497306523.db2.gz	PAVRXCBGLNNSKH-IFRROFPPSA-N	0	0	368.294	3.382	40	30		FGEBRN
N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[C@H](c2ccccc2)C1	ZINC000256049324	497382386	/nfs/dbraw/zinc/38/23/86/497382386.db2.gz	ZIQCOZLHILNJKJ-HNNXBMFYSA-N	0	0	360.377	3.041	40	30		FGEBRN
C=CCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O	ZINC000409067683	499595867	/nfs/dbraw/zinc/59/58/67/499595867.db2.gz	QQZCEQOSEXWUER-YRNVUSSQSA-N	0	0	370.224	3.386	40	30		FGEBRN
Cn1ccnc1CN1CCC(c2cccc(Nc3ccc(C#N)nc3)n2)CC1	ZINC000585293588	507586772	/nfs/dbraw/zinc/58/67/72/507586772.db2.gz	JIJBGLYDZPBGGU-UHFFFAOYSA-N	0	0	373.464	3.205	40	30		FGEBRN
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224890346	518815474	/nfs/dbraw/zinc/81/54/74/518815474.db2.gz	UCRBYSXDRUNKSP-UHFFFAOYSA-N	0	0	360.435	3.035	40	30		FGEBRN
C=CCNC(=O)CSc1ncnc2c(-c3ccc(OC)cc3)nsc21	ZINC000035289837	518898552	/nfs/dbraw/zinc/89/85/52/518898552.db2.gz	PBWOPDXHPKKLFN-UHFFFAOYSA-N	0	0	372.475	3.156	40	30		FGEBRN
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000224904757	519036562	/nfs/dbraw/zinc/03/65/62/519036562.db2.gz	QAPLCVAQDMWBPE-UHFFFAOYSA-N	0	0	360.435	3.035	40	30		FGEBRN
CC(C)c1ccc2c(c1)C(=NNc1cccnc1)C(=O)N2C1CSC1	ZINC000223729197	519840547	/nfs/dbraw/zinc/84/05/47/519840547.db2.gz	ANCYDDIMPLHWSE-PYCFMQQDSA-N	0	0	352.463	3.483	40	30		FGEBRN
CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccc(OC)c(OC)c1	ZINC000020196699	521281523	/nfs/dbraw/zinc/28/15/23/521281523.db2.gz	UKKNLMYREKGSDH-UDWIEESQSA-N	0	0	359.382	3.134	40	30		FGEBRN
COc1ccc(/C=N/OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1OC	ZINC000004546272	523452809	/nfs/dbraw/zinc/45/28/09/523452809.db2.gz	NIPMSDJZBJJBEX-JNVMUYNCSA-N	0	0	374.481	3.482	40	30		FGEBRN
N#CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1	ZINC000096037793	526462414	/nfs/dbraw/zinc/46/24/14/526462414.db2.gz	QYRIVHZNBIAGCY-UHFFFAOYSA-N	0	0	372.432	3.061	40	30		FGEBRN
c1ccc(Nc2nc(N=NC3CCCCC3)nc(N3CCOCC3)n2)cc1	ZINC000006045609	526483658	/nfs/dbraw/zinc/48/36/58/526483658.db2.gz	SCWGLAWWOCUYAF-UHFFFAOYSA-N	0	0	367.457	3.184	40	30		FGEBRN
C#CCOc1c(CC=C)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1OCC	ZINC000409250176	570745758	/nfs/dbraw/zinc/74/57/58/570745758.db2.gz	MNBYYFPKDBWTPL-GHRIWEEISA-N	0	0	368.433	3.129	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@H](C)C(=O)C=C[C@]1(C)O	ZINC000958317928	762678679	/nfs/dbraw/zinc/67/86/79/762678679.db2.gz	BIGBTKXKWUHWLH-QEGZRPRASA-N	0	0	350.455	3.012	40	30		FGEBRN
N#Cc1c(F)cccc1Nc1cc(C(F)(F)F)nc(NC2CCCC2)n1	ZINC000329065065	203850429	/nfs/dbraw/zinc/85/04/29/203850429.db2.gz	XOGWCQYUAFBBFS-UHFFFAOYSA-N	0	0	365.334	3.448	40	30		FGEBRN
CCCCc1c(OC(=O)N(C)C)c(C#N)c2n(C)c3ccccc3n2c1=O	ZINC000001610103	204013987	/nfs/dbraw/zinc/01/39/87/204013987.db2.gz	BYJSFAAKKWFOAD-UHFFFAOYSA-N	0	0	366.421	3.066	40	30		FGEBRN
NC(=S)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	ZINC000005809890	204226252	/nfs/dbraw/zinc/22/62/52/204226252.db2.gz	KQKQPRIUCLJKSG-KWPCUBQOSA-N	0	0	359.838	3.179	40	30		FGEBRN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSCCO)sc2C1	ZINC000006323086	204244798	/nfs/dbraw/zinc/24/47/98/204244798.db2.gz	WEGHEIVYPBFBCL-LLVKDONJSA-N	0	0	352.525	3.435	40	30		FGEBRN
C/C(=N\NC(=S)N1CCC(c2ccccc2)CC1)c1nccnc1C	ZINC000006483751	204249125	/nfs/dbraw/zinc/24/91/25/204249125.db2.gz	NPBSVADWEFQYEE-PXLXIMEGSA-N	0	0	353.495	3.263	40	30		FGEBRN
CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000022608350	204782191	/nfs/dbraw/zinc/78/21/91/204782191.db2.gz	VMHGWOCXOVNUIS-VFZGTOFNSA-N	0	0	371.422	3.176	40	30		FGEBRN
O=[N+]([O-])c1ccc(C=Nc2n[nH]c(N=Cc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000104809814	206000822	/nfs/dbraw/zinc/00/08/22/206000822.db2.gz	ADRFRARFDFYSBF-BUOZRGFLSA-N	0	0	365.309	3.122	40	30		FGEBRN
COc1ccc(/C=N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1	ZINC000000821966	206133771	/nfs/dbraw/zinc/13/37/71/206133771.db2.gz	QJDMPVSPFYBHSF-GIJQJNRQSA-N	0	0	358.195	3.233	40	30		FGEBRN
C[C@H]1CCCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)C1	ZINC000001355137	206148056	/nfs/dbraw/zinc/14/80/56/206148056.db2.gz	SPUWZADSORHLPU-LBPRGKRZSA-N	0	0	369.446	3.186	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(Cl)c1	ZINC000004944596	206185384	/nfs/dbraw/zinc/18/53/84/206185384.db2.gz	MCEDWWLOTNDACG-LBPRGKRZSA-N	0	0	361.854	3.186	40	30		FGEBRN
CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)CC(C)(C)CC1=O	ZINC000004832807	206180727	/nfs/dbraw/zinc/18/07/27/206180727.db2.gz	ZCZVKOMYOVOTAN-UHFFFAOYSA-N	0	0	367.449	3.129	40	30		FGEBRN
O=C1N/C(=N\N=C\c2ccc(O)cc2)S[C@H]1Cc1cccc(Cl)c1	ZINC000057527549	206384888	/nfs/dbraw/zinc/38/48/88/206384888.db2.gz	QOHKNBZNNUXRQM-RPJLVFAOSA-N	0	0	359.838	3.210	40	30		FGEBRN
C[C@@H]1C(C#N)(C#N)[C@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000217586147	206364785	/nfs/dbraw/zinc/36/47/85/206364785.db2.gz	AFQQUICKZPLXEB-DYMRZLFOSA-N	0	0	350.422	3.281	40	30		FGEBRN
COc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1OC	ZINC000222978465	206429975	/nfs/dbraw/zinc/42/99/75/206429975.db2.gz	XHNABEARKOSXDL-UHFFFAOYSA-N	0	0	358.419	3.060	40	30		FGEBRN
CCOc1ccc2nc(NC3=NCN(C4CCCCC4)CN3)nc(C)c2c1	ZINC000019332441	263374641	/nfs/dbraw/zinc/37/46/41/263374641.db2.gz	IRBSMQPTAPFRKL-UHFFFAOYSA-N	0	0	368.485	3.067	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1	ZINC000408708554	263487903	/nfs/dbraw/zinc/48/79/03/263487903.db2.gz	KASKVGYFACSBSU-UHFFFAOYSA-N	0	0	352.434	3.329	40	30		FGEBRN
COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000000883090	493778527	/nfs/dbraw/zinc/77/85/27/493778527.db2.gz	URURYRILHZHNED-MRXNPFEDSA-N	0	0	361.401	3.166	40	30		FGEBRN
C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000003032705	493828868	/nfs/dbraw/zinc/82/88/68/493828868.db2.gz	OGERZLGSBBYVDO-UHFFFAOYSA-N	0	0	350.827	3.057	40	30		FGEBRN
Cc1nc(SCCN2C(=O)c3ccccc3C2=O)c(C#N)c(C)c1C	ZINC000005089344	493912795	/nfs/dbraw/zinc/91/27/95/493912795.db2.gz	OLHZMAQEWKPRTP-UHFFFAOYSA-N	0	0	351.431	3.267	40	30		FGEBRN
COc1cc2c(cc1OC)[C@H]1CC(=O)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000006394270	493962167	/nfs/dbraw/zinc/96/21/67/493962167.db2.gz	OFQHASLXQFCFNN-CQSZACIVSA-N	0	0	355.434	3.219	40	30		FGEBRN
CCOc1cc(Br)c(Br)c(C#N)c1OC(C)=O	ZINC000020157678	494468980	/nfs/dbraw/zinc/46/89/80/494468980.db2.gz	NDRLTEAEWLWLSQ-UHFFFAOYSA-N	0	0	363.005	3.407	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NC[C@@H]1CCCO1	ZINC000100413161	495064851	/nfs/dbraw/zinc/06/48/51/495064851.db2.gz	JVRFOPGGFTYLHN-ZIHVZMLCSA-N	0	0	356.397	3.250	40	30		FGEBRN
C#CCOc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OC	ZINC000111458788	495077061	/nfs/dbraw/zinc/07/70/61/495077061.db2.gz	XQRNPKPEBOWPRL-OCKHKDLRSA-N	0	0	360.757	3.110	40	30		FGEBRN
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	ZINC000218401601	497002744	/nfs/dbraw/zinc/00/27/44/497002744.db2.gz	IGBIWGLJVMEBNC-KZNAEPCWSA-N	0	0	361.850	3.090	40	30		FGEBRN
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc(O)cc1	ZINC000261361943	497407094	/nfs/dbraw/zinc/40/70/94/497407094.db2.gz	DPLASZKTJWNQLA-QGZVFWFLSA-O	0	0	365.438	3.093	40	30		FGEBRN
C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1OCCC	ZINC000409072524	499595706	/nfs/dbraw/zinc/59/57/06/499595706.db2.gz	VTVMCYTXIWJDGR-UHFFFAOYSA-N	0	0	362.422	3.332	40	30		FGEBRN
O=C1CSC(=N/N=C/c2cccc(OCc3ccccc3Cl)c2)N1	ZINC000409064666	499595728	/nfs/dbraw/zinc/59/57/28/499595728.db2.gz	FBNZGGLFBYJDOR-DJKKODMXSA-N	0	0	359.838	3.472	40	30		FGEBRN
C=CCSC1=NN2[C@H](c3ccc(C)o3)Nc3ccccc3[C@@H]2C(=O)N1	ZINC000588229268	506242860	/nfs/dbraw/zinc/24/28/60/506242860.db2.gz	QZJINFLDYOCMSE-HZPDHXFCSA-N	0	0	354.435	3.375	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224896582	518810345	/nfs/dbraw/zinc/81/03/45/518810345.db2.gz	GQJVOPPGCMQRQD-UHFFFAOYSA-N	0	0	369.446	3.092	40	30		FGEBRN
C=CCSc1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1	ZINC000139142872	519085334	/nfs/dbraw/zinc/08/53/34/519085334.db2.gz	XCDIZVLSFIRMEB-UHFFFAOYSA-N	0	0	363.464	3.159	40	30		FGEBRN
CCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2O)cc1	ZINC000005718705	520966645	/nfs/dbraw/zinc/96/66/45/520966645.db2.gz	DEPMOHKPLVEUJH-YOPNLDQXSA-N	0	0	369.446	3.256	40	30		FGEBRN
COc1ccc(C=NN2C(=S)N=NC2c2ccccc2)c(OC)c1OC	ZINC000245241625	523885011	/nfs/dbraw/zinc/88/50/11/523885011.db2.gz	LMYJIBGEKYFRCA-UHFFFAOYSA-N	0	0	370.434	3.142	40	30		FGEBRN
COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1Cl	ZINC000224960235	525006872	/nfs/dbraw/zinc/00/68/72/525006872.db2.gz	OOVJBDWRDKIDLG-UHFFFAOYSA-N	0	0	350.827	3.240	40	30		FGEBRN
C=CCOc1c(Br)cc(/C=C2\SC(=N)NC2=O)cc1OC	ZINC000408883575	570694861	/nfs/dbraw/zinc/69/48/61/570694861.db2.gz	VQTVUSMPARPBFT-XFFZJAGNSA-N	0	0	369.240	3.161	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O	ZINC000409125736	570729755	/nfs/dbraw/zinc/72/97/55/570729755.db2.gz	ASHSGLLYCVXZTJ-LICLKQGHSA-N	0	0	366.377	3.081	40	30		FGEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	ZINC000409239074	570743598	/nfs/dbraw/zinc/74/35/98/570743598.db2.gz	GEFMKIHPAQTVGS-KGENOOAVSA-N	0	0	354.406	3.069	40	30		FGEBRN
N#Cc1ccccc1CN1C[C@]2(CCN(CC3CC3)C2=O)CC(F)(F)C1	ZINC000585093235	571123972	/nfs/dbraw/zinc/12/39/72/571123972.db2.gz	KKYLMZXPVRFHRZ-IBGZPJMESA-N	0	0	359.420	3.028	40	30		FGEBRN
OC/C(I)=C/C(F)(F)C(F)(F)C(F)(F)F	ZINC000002575581	204045492	/nfs/dbraw/zinc/04/54/92/204045492.db2.gz	AAIXLNBYXIVUKR-IWQZZHSRSA-N	0	0	351.987	3.131	40	30		FGEBRN
COc1ccc(C2N=NC(=S)N2N=Cc2ccc(OC)cc2OC)cc1	ZINC000004679290	204154618	/nfs/dbraw/zinc/15/46/18/204154618.db2.gz	PYSDDYAEUJQQIW-ODLFYWEKSA-N	0	0	370.434	3.142	40	30		FGEBRN
O=S(=O)(c1ccc(/N=C/c2ccccc2Cl)cc1)N1CCOCC1	ZINC000004744971	204160722	/nfs/dbraw/zinc/16/07/22/204160722.db2.gz	WBCFFFBXZRMSMS-CPNJWEJPSA-N	0	0	364.854	3.112	40	30		FGEBRN
COc1cccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1	ZINC000004860023	204170211	/nfs/dbraw/zinc/17/02/11/204170211.db2.gz	WNNKDNBPUPCCPU-GJJHYRHESA-N	0	0	362.389	3.204	40	30		FGEBRN
O=C1CCCCC1=C(I)I	ZINC000005566695	204216332	/nfs/dbraw/zinc/21/63/32/204216332.db2.gz	ZBDRCSSTKXSPFK-UHFFFAOYSA-N	0	0	361.948	3.211	40	30		FGEBRN
N#CCCN1C(=S)N=NC1CCC(=O)Nc1ccc(Cl)cc1Cl	ZINC000008655968	204337670	/nfs/dbraw/zinc/33/76/70/204337670.db2.gz	BRZYRZIJZTXGOL-UHFFFAOYSA-N	0	0	370.265	3.359	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cn1	ZINC000225919830	206119631	/nfs/dbraw/zinc/11/96/31/206119631.db2.gz	KBJVIAZINCUWOS-UHFFFAOYSA-N	0	0	372.396	3.476	40	30		FGEBRN
Cc1cc(C)n(-c2cc(N=NCc3ccc(Br)cc3)ncn2)n1	ZINC000004713126	206183049	/nfs/dbraw/zinc/18/30/49/206183049.db2.gz	WWPUBIULNBMTBE-AWQFTUOYSA-N	0	0	371.242	3.488	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(SC)cc1	ZINC000004944637	206185257	/nfs/dbraw/zinc/18/52/57/206185257.db2.gz	LXMCWYQPWVWJAH-CYBMUJFWSA-N	0	0	373.503	3.254	40	30		FGEBRN
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Cc1cccc([N+](=O)[O-])c1	ZINC000102945856	206230776	/nfs/dbraw/zinc/23/07/76/206230776.db2.gz	VRQJTSPXKNQOAN-YBFXNURJSA-N	0	0	365.349	3.195	40	30		FGEBRN
CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(N(C)C)cc3)N[C@H]2NN1	ZINC000016607994	206319554	/nfs/dbraw/zinc/31/95/54/206319554.db2.gz	NWKTUUJCENYCME-RLLQIKCJSA-N	0	0	352.482	3.004	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218471607	206369655	/nfs/dbraw/zinc/36/96/55/206369655.db2.gz	HITWJLUVHAKRPZ-FHWLQOOXSA-N	0	0	359.422	3.312	40	30		FGEBRN
Cc1cc(N2CCN(c3ccccn3)CC2)n2c3ccccc3nc2c1C#N	ZINC000000873011	132251875	/nfs/dbraw/zinc/25/18/75/132251875.db2.gz	YOAJKJBVEWBXIT-UHFFFAOYSA-N	0	0	368.444	3.389	40	30		FGEBRN
N#Cc1cccc(N2CCC[C@]3(CN(CC4CC4)CC(F)(F)C3)C2=O)c1	ZINC000306134261	132301522	/nfs/dbraw/zinc/30/15/22/132301522.db2.gz	NHFHQECRXGONSA-IBGZPJMESA-N	0	0	359.420	3.422	40	30		FGEBRN
C=CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1	ZINC000020765915	263382418	/nfs/dbraw/zinc/38/24/18/263382418.db2.gz	RBLDYKSYTVPLJS-UHFFFAOYSA-N	0	0	370.474	3.052	40	30		FGEBRN
C=CCc1cc(C=NN2C(=O)CSC2=S)cc(OCC)c1OCC	ZINC000409327039	263547912	/nfs/dbraw/zinc/54/79/12/263547912.db2.gz	GYPJECBLOUHBLB-ZDLGFXPLSA-N	0	0	364.492	3.407	40	30		FGEBRN
CCOc1ccc(CNC(=S)N/N=C/c2cccc(OC)c2OC)cc1	ZINC000000903761	493777817	/nfs/dbraw/zinc/77/78/17/493777817.db2.gz	LWORWGSRCICRFC-FYJGNVAPSA-N	0	0	373.478	3.101	40	30		FGEBRN
COc1ccc(-n2cccc2/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000059104087	493902494	/nfs/dbraw/zinc/90/24/94/493902494.db2.gz	OXDGDQJQVRPZDC-XSFVSMFZSA-N	0	0	369.446	3.107	40	30		FGEBRN
COCc1cc(C)nc(Sc2nc(C)cc(COC)c2C#N)c1C#N	ZINC000059383388	493905266	/nfs/dbraw/zinc/90/52/66/493905266.db2.gz	ZEAJEKJYRLDKEC-UHFFFAOYSA-N	0	0	354.435	3.281	40	30		FGEBRN
NC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000059399043	493906055	/nfs/dbraw/zinc/90/60/55/493906055.db2.gz	RRCVGWXDPRNYHX-UFWORHAWSA-N	0	0	368.245	3.380	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(O[C@@H](C)CC)c(Br)c1	ZINC000006358362	493961171	/nfs/dbraw/zinc/96/11/71/493961171.db2.gz	QKBHVRLJDIAQGA-VJCPFXPRSA-N	0	0	358.305	3.444	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2cccs2)c(OC)c1	ZINC000007602109	494029854	/nfs/dbraw/zinc/02/98/54/494029854.db2.gz	PLZFETNEUIBQOO-UHFFFAOYSA-N	0	0	357.439	3.120	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC	ZINC000014006573	494299889	/nfs/dbraw/zinc/29/98/89/494299889.db2.gz	IORILLMFCSIQSZ-CQSZACIVSA-N	0	0	354.406	3.017	40	30		FGEBRN
C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc(Br)c2)C1	ZINC000014164869	494308411	/nfs/dbraw/zinc/30/84/11/494308411.db2.gz	UQHXWTKCBDKFAA-RFAUZJTJSA-N	0	0	359.227	3.309	40	30		FGEBRN
O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCC(c2ccccc2)=N1	ZINC000014288925	494314973	/nfs/dbraw/zinc/31/49/73/494314973.db2.gz	BDEYKYQGXUBDGM-WSDLNYQXSA-N	0	0	373.359	3.275	40	30		FGEBRN
CO[C@H](C)CCN=Nc1nnc(N=NCC[C@H](C)OC)c2ccccc21	ZINC000017418188	494413965	/nfs/dbraw/zinc/41/39/65/494413965.db2.gz	BRCPZVOBLPHGKE-HVJQUQEBSA-N	0	0	358.446	3.275	40	30		FGEBRN
CCOCCCNC(=S)NCCNc1nc2ccc(C)cc2cc1C#N	ZINC000020151243	494468931	/nfs/dbraw/zinc/46/89/31/494468931.db2.gz	JWGJIHOIIAQQEK-UHFFFAOYSA-N	0	0	371.510	3.129	40	30		FGEBRN
C/C(=N\OCc1ccc(C(N)=O)cc1)c1nc2ccccc2n1C(F)F	ZINC000022188305	494516508	/nfs/dbraw/zinc/51/65/08/494516508.db2.gz	USNAUBQENNYPJS-FOKLQQMPSA-N	0	0	358.348	3.471	40	30		FGEBRN
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3[nH]ccc3c1)C2	ZINC000096077093	495000806	/nfs/dbraw/zinc/00/08/06/495000806.db2.gz	GGNSKXUKZWXUBY-NRFANRHFSA-N	0	0	351.450	3.341	40	30		FGEBRN
Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000145592669	495557944	/nfs/dbraw/zinc/55/79/44/495557944.db2.gz	HJNJOISSLFFBTP-FYJGNVAPSA-N	0	0	353.447	3.492	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218489861	497004018	/nfs/dbraw/zinc/00/40/18/497004018.db2.gz	GLBVMFYOFSNHPH-KURKYZTESA-N	0	0	359.834	3.297	40	30		FGEBRN
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OCC)cc2)c1	ZINC000223716877	497042343	/nfs/dbraw/zinc/04/23/43/497042343.db2.gz	VAXSMGQJECEQNB-UHFFFAOYSA-N	0	0	361.463	3.471	40	30		FGEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@H]2C)cc1	ZINC000225859111	497077669	/nfs/dbraw/zinc/07/76/69/497077669.db2.gz	CBVWIADFDYWOFP-MRXNPFEDSA-N	0	0	350.466	3.242	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1	ZINC000242649073	497355867	/nfs/dbraw/zinc/35/58/67/497355867.db2.gz	RTRAGWLEUVIDQT-VAMGGRTRSA-N	0	0	355.459	3.481	40	30		FGEBRN
Cc1cccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1C	ZINC000256046362	497382770	/nfs/dbraw/zinc/38/27/70/497382770.db2.gz	FMDMFQXQWZQHCJ-UHFFFAOYSA-N	0	0	372.476	3.078	40	30		FGEBRN
CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2C#N)cc(-c2ccccn2)n1	ZINC000329054152	499028205	/nfs/dbraw/zinc/02/82/05/499028205.db2.gz	VJUFGEMXYQPTAG-LJQANCHMSA-N	0	0	374.448	3.005	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1	ZINC000408708670	499593993	/nfs/dbraw/zinc/59/39/93/499593993.db2.gz	KJOSXGYRAXNPDZ-UHFFFAOYSA-N	0	0	358.825	3.202	40	30		FGEBRN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(N(C)C)o1	ZINC000408797502	499594851	/nfs/dbraw/zinc/59/48/51/499594851.db2.gz	SDEOCWKCNCSGTR-QGZVFWFLSA-N	0	0	364.401	3.087	40	30		FGEBRN
C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)CC(C)C)C2	ZINC000585107457	507573736	/nfs/dbraw/zinc/57/37/36/507573736.db2.gz	WLKOQYVKWGKZFF-NRFANRHFSA-N	0	0	350.466	3.352	40	30		FGEBRN
C=CCOc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000225092597	519035967	/nfs/dbraw/zinc/03/59/67/519035967.db2.gz	IWDWLPDHRSBZKV-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1	ZINC000223838183	519042179	/nfs/dbraw/zinc/04/21/79/519042179.db2.gz	HHMPPDGRBHVQDX-UHFFFAOYSA-N	0	0	361.419	3.147	40	30		FGEBRN
CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)c1	ZINC000225969206	521686092	/nfs/dbraw/zinc/68/60/92/521686092.db2.gz	GFXCDPRTGXAWGY-UHFFFAOYSA-N	0	0	369.446	3.256	40	30		FGEBRN
COc1ccccc1[C@H](C#N)NCCCN[C@H](C#N)c1ccccc1OC	ZINC000016953059	524766626	/nfs/dbraw/zinc/76/66/26/524766626.db2.gz	QNMNQYCJFCGGLZ-KDURUIRLSA-N	0	0	364.449	3.103	40	30		FGEBRN
COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OC	ZINC000408931322	570700735	/nfs/dbraw/zinc/70/07/35/570700735.db2.gz	JZLGTKJQYASMRN-DEDYPNTBSA-N	0	0	371.393	3.199	40	30		FGEBRN
Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408964987	570704158	/nfs/dbraw/zinc/70/41/58/570704158.db2.gz	FHLHJXABVQJYCL-MTJSOVHGSA-N	0	0	369.446	3.198	40	30		FGEBRN
COc1cc(N2CCCC2)c(OC)cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cn1	ZINC000409091231	570722246	/nfs/dbraw/zinc/72/22/46/570722246.db2.gz	RVMMLUWAJWXQLU-RGVLZGJSSA-N	0	0	371.397	3.053	40	30		FGEBRN
C=C1C(C(=O)OC)=C(NNc2ccc(Cl)cc2)C(=O)N1Cc1ccco1	ZINC000409353820	570752443	/nfs/dbraw/zinc/75/24/43/570752443.db2.gz	SAMWWLBFIISNQA-PGMHBOJBSA-N	0	0	373.796	3.190	40	30		FGEBRN
CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000213573342	571275190	/nfs/dbraw/zinc/27/51/90/571275190.db2.gz	SFNSLLSYNZWZQG-QFBILLFUSA-N	0	0	374.448	3.392	40	30		FGEBRN
CC[C@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2cccnc2)n1	ZINC000328972642	203844150	/nfs/dbraw/zinc/84/41/50/203844150.db2.gz	DWRUBYWKUVOFON-ZDUSSCGKSA-N	0	0	362.412	3.347	40	30		FGEBRN
C=CCOc1ccc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1	ZINC000012327244	203853771	/nfs/dbraw/zinc/85/37/71/203853771.db2.gz	DUDYAGIHTMBIRZ-UHFFFAOYSA-N	0	0	366.446	3.459	40	30		FGEBRN
Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000001380677	204002069	/nfs/dbraw/zinc/00/20/69/204002069.db2.gz	GOIYLFULRREOFE-UHFFFAOYSA-N	0	0	360.421	3.480	40	30		FGEBRN
CN=C1CN2OC(=O)N(C)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1	ZINC000003594121	204108212	/nfs/dbraw/zinc/10/82/12/204108212.db2.gz	LVMMOOFHGDXCHR-SFHVURJKSA-N	0	0	356.813	3.103	40	30		FGEBRN
N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1ccc(F)cc1)O3	ZINC000005447873	204209048	/nfs/dbraw/zinc/20/90/48/204209048.db2.gz	ZAHTUSMPCRFEFD-VVWQDTPRSA-N	0	0	350.353	3.335	40	30		FGEBRN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1	ZINC000007275642	204294480	/nfs/dbraw/zinc/29/44/80/204294480.db2.gz	MDJZGXPENRXJDS-GDNBJRDFSA-N	0	0	355.375	3.495	40	30		FGEBRN
N#Cc1c(N)nc(-c2c([O-])cccc2OCC2CC2)cc1C1CC[NH2+]CC1	ZINC000006718453	204261942	/nfs/dbraw/zinc/26/19/42/204261942.db2.gz	DYVFBWXIOCLHPP-UHFFFAOYSA-N	0	0	364.449	3.164	40	30	in-vitro	FGEBRN
C[C@@H]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C1	ZINC000007814682	204308296	/nfs/dbraw/zinc/30/82/96/204308296.db2.gz	SGHNNFMGJNROHQ-CVALACBASA-N	0	0	350.488	3.234	40	30		FGEBRN
CNC(=S)N/N=C(/C)CCCCCCCC/C(C)=N\NC(=S)NC	ZINC000008618675	204337720	/nfs/dbraw/zinc/33/77/20/204337720.db2.gz	WVKDQIOSPPCJBV-AXPXABNXSA-N	0	0	372.608	3.047	40	30		FGEBRN
CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000022608555	204781671	/nfs/dbraw/zinc/78/16/71/204781671.db2.gz	CCJVHVYHKBTEME-MGPLVRAMSA-N	0	0	356.451	3.364	40	30		FGEBRN
CNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1	ZINC000002630376	206155257	/nfs/dbraw/zinc/15/52/57/206155257.db2.gz	RDGYCOCKZWVGSB-KEBDBYFISA-N	0	0	363.870	3.355	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(CC)cc1	ZINC000004944642	206185492	/nfs/dbraw/zinc/18/54/92/206185492.db2.gz	PPQQPDKEINWLFO-AWEZNQCLSA-N	0	0	355.463	3.095	40	30		FGEBRN
CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3ncnn32)cc1	ZINC000010339482	206280211	/nfs/dbraw/zinc/28/02/11/206280211.db2.gz	YLLFAILNWWSGEE-ORAYPTAESA-N	0	0	351.454	3.392	40	30		FGEBRN
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C=O)cc1	ZINC000218127200	206367155	/nfs/dbraw/zinc/36/71/55/206367155.db2.gz	BKBNHTNUGHKWSB-ZACQAIPSSA-N	0	0	350.823	3.103	40	30		FGEBRN
CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218043778	206367465	/nfs/dbraw/zinc/36/74/65/206367465.db2.gz	KHUFKDXTQUJARO-BJLQDIEVSA-N	0	0	369.442	3.008	40	30		FGEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCCCC2)cc1	ZINC000225859556	206503101	/nfs/dbraw/zinc/50/31/01/206503101.db2.gz	JEJJBGKHCWXRHQ-UHFFFAOYSA-N	0	0	350.466	3.244	40	30		FGEBRN
CCOC(=O)C(=NNc1ccc(OC)cc1)Nc1cc([N+](=O)[O-])ccc1C	ZINC000005250270	263339813	/nfs/dbraw/zinc/33/98/13/263339813.db2.gz	AEAQZDAZGCWCQP-UHFFFAOYSA-N	0	0	372.381	3.122	40	30		FGEBRN
COc1ccc([C@@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)n2)cc1	ZINC000008558913	263356228	/nfs/dbraw/zinc/35/62/28/263356228.db2.gz	PCUUKCGLXLEJDZ-LJQANCHMSA-N	0	0	350.422	3.175	40	30		FGEBRN
Cc1sc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C#N)c1C	ZINC000009140946	263360271	/nfs/dbraw/zinc/36/02/71/263360271.db2.gz	BNQVGMVBKJQPGF-UHFFFAOYSA-N	0	0	360.420	3.272	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1	ZINC000409022086	263517856	/nfs/dbraw/zinc/51/78/56/263517856.db2.gz	IVXXOENPUXKXJQ-FYJGNVAPSA-N	0	0	365.414	3.439	40	30		FGEBRN
C=CCN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O	ZINC000409073647	263522611	/nfs/dbraw/zinc/52/26/11/263522611.db2.gz	WSGVQYWBKCIDKM-WUXMJOGZSA-N	0	0	370.224	3.386	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F	ZINC000000795006	493772971	/nfs/dbraw/zinc/77/29/71/493772971.db2.gz	GWCVOIPNOZSQEZ-PXAZEXFGSA-N	0	0	371.364	3.176	40	30		FGEBRN
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000082230493	493981362	/nfs/dbraw/zinc/98/13/62/493981362.db2.gz	VSGTWMOZGFNRPM-QJYNGXKYSA-N	0	0	360.494	3.055	40	30	in-vitro	FGEBRN
CC1=C(C(=O)OCCC#N)[C@H](c2cccnc2)C2=C(N1)c1ccccc1C2=O	ZINC000033691816	494062003	/nfs/dbraw/zinc/06/20/03/494062003.db2.gz	PKGMTTMCEJLAGV-SFHVURJKSA-N	0	0	371.396	3.107	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(C)n(-c2cc(C(=O)OC)ccc2C)c1C	ZINC000033718486	494063199	/nfs/dbraw/zinc/06/31/99/494063199.db2.gz	LFWNMGVEZHNYSC-SRZZPIQSSA-N	0	0	372.494	3.007	40	30		FGEBRN
CCC1N=NC(=S)N1N=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	ZINC000036463951	494092935	/nfs/dbraw/zinc/09/29/35/494092935.db2.gz	ZNMRGYYQWOCCBA-RQZCQDPDSA-N	0	0	373.394	3.188	40	30		FGEBRN
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/NCc2ccccc2Cl)c1	ZINC000008811715	494106185	/nfs/dbraw/zinc/10/61/85/494106185.db2.gz	DLGUCPNHMWXLKY-FYJGNVAPSA-N	0	0	374.828	3.209	40	30		FGEBRN
COCCCNC(=S)NCCNc1nc2c(C)c(C)ccc2cc1C#N	ZINC000013658141	494292628	/nfs/dbraw/zinc/29/26/28/494292628.db2.gz	BOCIYZZRGOGZPQ-UHFFFAOYSA-N	0	0	371.510	3.047	40	30		FGEBRN
CCOC(=O)Nc1ccc2c(c1)C(=NNC(=S)NC)c1ccccc1-2	ZINC000016926701	494404108	/nfs/dbraw/zinc/40/41/08/494404108.db2.gz	SKBPEKGVHJOCDR-LTGZKZEYSA-N	0	0	354.435	3.082	40	30		FGEBRN
CC(C)(C)c1nnc(NC(=O)CN2CCC[C@H](Cn3ccnc3)C2)s1	ZINC000019715451	494457218	/nfs/dbraw/zinc/45/72/18/494457218.db2.gz	XFXCTYKRCDDTDV-ZDUSSCGKSA-N	0	0	362.503	3.032	40	30		FGEBRN
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000019959673	494465533	/nfs/dbraw/zinc/46/55/33/494465533.db2.gz	SNZIKKHZUGVLBA-GLEZIHRCSA-N	0	0	359.773	3.108	40	30		FGEBRN
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\O)cc1OC	ZINC000110126335	494950790	/nfs/dbraw/zinc/95/07/90/494950790.db2.gz	JWEAHXHNHUSMLS-OCKHKDLRSA-N	0	0	364.785	3.183	40	30		FGEBRN
N#CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1	ZINC000096038085	494997329	/nfs/dbraw/zinc/99/73/29/494997329.db2.gz	LEDNSQOLEIQFTE-UHFFFAOYSA-N	0	0	355.401	3.435	40	30		FGEBRN
CN1c2cc(Br)ccc2/C(=C2/Nc3ccccc3/C2=N\O)C1=O	ZINC000100374820	495064724	/nfs/dbraw/zinc/06/47/24/495064724.db2.gz	JUKQKURGZYNHFN-NVVUQHMZSA-N	0	0	370.206	3.441	40	30	in-vitro	FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	ZINC000225652598	497070479	/nfs/dbraw/zinc/07/04/79/497070479.db2.gz	QPBVBOSGUGRZNH-OKZBNKHCSA-N	0	0	361.850	3.090	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	ZINC000225652545	497070961	/nfs/dbraw/zinc/07/09/61/497070961.db2.gz	QPBVBOSGUGRZNH-FGTMMUONSA-N	0	0	361.850	3.090	40	30		FGEBRN
C[C@@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)C1	ZINC000225858747	497077589	/nfs/dbraw/zinc/07/75/89/497077589.db2.gz	KIBQAUXPOSDKMH-CQSZACIVSA-N	0	0	370.884	3.445	40	30		FGEBRN
CCCCc1nc(SCc2ccc(C(=O)OC)cc2)nc(N)c1C#N	ZINC000225893026	497078829	/nfs/dbraw/zinc/07/88/29/497078829.db2.gz	BAVRIFLOWINCSG-UHFFFAOYSA-N	0	0	356.451	3.352	40	30		FGEBRN
O=C1c2cc(-c3ccc(C=Nn4cnnc4)o3)ccc2C(=O)[C@@H]2C=CCC=C12	ZINC000254415203	497348828	/nfs/dbraw/zinc/34/88/28/497348828.db2.gz	SFJMNAXVASQKLI-HZPDHXFCSA-N	0	0	370.368	3.158	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242592379	497355598	/nfs/dbraw/zinc/35/55/98/497355598.db2.gz	OSDRMGRTSKWCQG-XUVXKRRUSA-N	0	0	371.458	3.181	40	30		FGEBRN
Cc1cccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1C	ZINC000256046870	497382987	/nfs/dbraw/zinc/38/29/87/497382987.db2.gz	IOTZWWMUYUIOFT-UHFFFAOYSA-N	0	0	358.449	3.082	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1	ZINC000260710295	497406483	/nfs/dbraw/zinc/40/64/83/497406483.db2.gz	GNWVVYUHVLFGAU-SNVBAGLBSA-N	0	0	359.421	3.347	40	30		FGEBRN
N#Cc1ccc(C(=O)N2C[C@@H]3c4ncc(-c5ccncc5)n4CC[C@@H]3C2)cc1	ZINC000306141599	498743271	/nfs/dbraw/zinc/74/32/71/498743271.db2.gz	WBUWTWPEAVGOSF-MOPGFXCFSA-N	0	0	369.428	3.076	40	30		FGEBRN
COc1cc(Br)c(O)c(C=NN=c2[nH]c3ccccc3[nH]2)c1	ZINC000408590609	499592440	/nfs/dbraw/zinc/59/24/40/499592440.db2.gz	PWJXSIWZSDZOCJ-CAOOACKPSA-N	0	0	361.199	3.486	40	30		FGEBRN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)o1	ZINC000408796300	499594761	/nfs/dbraw/zinc/59/47/61/499594761.db2.gz	OSYVSBRDNLAKHD-INIZCTEOSA-N	0	0	351.358	3.030	40	30		FGEBRN
COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(Br)c1O	ZINC000408978772	499595474	/nfs/dbraw/zinc/59/54/74/499595474.db2.gz	JYVYORDQWKRYCU-UHFFFAOYSA-N	0	0	374.238	3.388	40	30		FGEBRN
COc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1Br	ZINC000409068085	499595701	/nfs/dbraw/zinc/59/57/01/499595701.db2.gz	FPTMNHGHYWREDG-LZYBPNLTSA-N	0	0	351.160	3.207	40	30		FGEBRN
COCc1cc(C)nc(SCC(=O)Nc2cc(C)ccc2OC)c1C#N	ZINC000409183504	499595892	/nfs/dbraw/zinc/59/58/92/499595892.db2.gz	UKTCIHSEZHEGLO-UHFFFAOYSA-N	0	0	371.462	3.456	40	30		FGEBRN
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225028246	518803481	/nfs/dbraw/zinc/80/34/81/518803481.db2.gz	LWQWJTOHWFQYGM-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225110432	518812794	/nfs/dbraw/zinc/81/27/94/518812794.db2.gz	YEYHYUIYEUOEML-UHFFFAOYSA-N	0	0	357.353	3.494	40	30		FGEBRN
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225080231	518813081	/nfs/dbraw/zinc/81/30/81/518813081.db2.gz	NOGTVUGDLSEAQG-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
C=CCSc1nnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)s1	ZINC000224064889	519091084	/nfs/dbraw/zinc/09/10/84/519091084.db2.gz	IRLJQZWKCKWXEK-UHFFFAOYSA-N	0	0	374.491	3.191	40	30		FGEBRN
CC(C)(C)COc1cccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c1	ZINC000409356389	570753450	/nfs/dbraw/zinc/75/34/50/570753450.db2.gz	NGHOSTRJAXIRSA-UHFFFAOYSA-N	0	0	351.406	3.409	40	30		FGEBRN
COc1cc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)ccc1O	ZINC000001473718	204010165	/nfs/dbraw/zinc/01/01/65/204010165.db2.gz	YYLUVRKTJKTBQF-NVMNQCDNSA-N	0	0	360.826	3.484	40	30		FGEBRN
COC(=O)CC(OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002526245	204043819	/nfs/dbraw/zinc/04/38/19/204043819.db2.gz	XPOSYKDOZHQEMJ-UHFFFAOYSA-N	0	0	366.176	3.007	40	30		FGEBRN
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	ZINC000005575163	204215577	/nfs/dbraw/zinc/21/55/77/204215577.db2.gz	SZAHIEIJJDKFRX-IRIMQRBYSA-N	0	0	374.477	3.156	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1	ZINC000004880494	204171928	/nfs/dbraw/zinc/17/19/28/204171928.db2.gz	RHAJDKVBOLQISQ-APSNUPSMSA-N	0	0	360.717	3.479	40	30		FGEBRN
S=C(N/N=C/c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2	ZINC000005030425	204186287	/nfs/dbraw/zinc/18/62/87/204186287.db2.gz	PJYGFKSNBLSRAC-KEBDBYFISA-N	0	0	357.479	3.182	40	30		FGEBRN
O=C1CSC(=S)N1/N=C/c1c[nH]c2ccc(Br)cc12	ZINC000016925873	204643987	/nfs/dbraw/zinc/64/39/87/204643987.db2.gz	IEDJIGQFRWFTAK-PJQLUOCWSA-N	0	0	354.254	3.125	40	30		FGEBRN
C=CCOC(=O)c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1	ZINC000073634500	205032249	/nfs/dbraw/zinc/03/22/49/205032249.db2.gz	KSQAJKOOFDSFLP-UHFFFAOYSA-N	0	0	354.313	3.214	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1	ZINC000225921740	206119359	/nfs/dbraw/zinc/11/93/59/206119359.db2.gz	OFGRKLVYGIGTJV-UHFFFAOYSA-N	0	0	360.435	3.398	40	30		FGEBRN
C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12	ZINC000001326058	206147414	/nfs/dbraw/zinc/14/74/14/206147414.db2.gz	XKZKLBJRDSPLEL-GFCCVEGCSA-N	0	0	353.451	3.187	40	30		FGEBRN
CC[C@@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N	ZINC000001355219	206148734	/nfs/dbraw/zinc/14/87/34/206148734.db2.gz	MVLLXZCCHNUTHM-LLVKDONJSA-N	0	0	359.451	3.130	40	30		FGEBRN
Cc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1	ZINC000005214783	206191223	/nfs/dbraw/zinc/19/12/23/206191223.db2.gz	JDUXPYCXFDGHIY-ZVCOJXFSSA-N	0	0	368.418	3.067	40	30		FGEBRN
O=[N+]([O-])c1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000019848774	206327989	/nfs/dbraw/zinc/32/79/89/206327989.db2.gz	SSSRRPSNEAAEKL-MOSHPQCFSA-N	0	0	358.829	3.400	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218391474	206370152	/nfs/dbraw/zinc/37/01/52/206370152.db2.gz	BKQLFPNIVKCSPT-BZSNNMDCSA-N	0	0	361.850	3.436	40	30		FGEBRN
N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218436893	206370573	/nfs/dbraw/zinc/37/05/73/206370573.db2.gz	WJMHEDCEAQYCFT-CVEARBPZSA-N	0	0	360.797	3.452	40	30		FGEBRN
COc1ccccc1CN/N=C/c1ccc([N+](=O)[O-])cc1Br	ZINC000020762573	263382939	/nfs/dbraw/zinc/38/29/39/263382939.db2.gz	YSBJIHBZNQNPGB-RQZCQDPDSA-N	0	0	364.199	3.490	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1	ZINC000033691959	263397057	/nfs/dbraw/zinc/39/70/57/263397057.db2.gz	NGIWWDBOCVMSOS-CIAFOILYSA-N	0	0	357.479	3.401	40	30		FGEBRN
O=[N+]([O-])c1cccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])c1	ZINC000409120336	263530358	/nfs/dbraw/zinc/53/03/58/263530358.db2.gz	VBQOTOZCZSERHL-WOJGMQOQSA-N	0	0	352.310	3.135	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2F)C1=O	ZINC000409127047	263531449	/nfs/dbraw/zinc/53/14/49/263531449.db2.gz	PZQKVGHMDMLQEI-SFQUDFHCSA-N	0	0	352.365	3.483	40	30		FGEBRN
CN(C)c1ccc(/C=C2/CNC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000031817910	493962843	/nfs/dbraw/zinc/96/28/43/493962843.db2.gz	PQXIGFCAMSKVHL-AXPXABNXSA-N	0	0	361.489	3.458	40	30		FGEBRN
C=CCn1nnnc1NCc1cccc(OCC)c1OCc1ccccc1	ZINC000007602293	494029571	/nfs/dbraw/zinc/02/95/71/494029571.db2.gz	ZNHYWILPRGDHNZ-UHFFFAOYSA-N	0	0	365.437	3.449	40	30		FGEBRN
CCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(C)=O	ZINC000036624094	494093553	/nfs/dbraw/zinc/09/35/53/494093553.db2.gz	AGUQPWNDMZRLAF-AWEZNQCLSA-N	0	0	353.216	3.065	40	30		FGEBRN
C=CCn1c(SCCC(=O)OCC)nc2sc3c(c2c1=O)CCC3	ZINC000036644083	494094936	/nfs/dbraw/zinc/09/49/36/494094936.db2.gz	XAQPDGYIRNMADR-UHFFFAOYSA-N	0	0	364.492	3.178	40	30		FGEBRN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2nsc3ccccc32)CC1	ZINC000008703034	494099458	/nfs/dbraw/zinc/09/94/58/494099458.db2.gz	BVSARXRCDQQLCV-UHFFFAOYSA-N	0	0	365.418	3.403	40	30		FGEBRN
CC1=C/C(=N\OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C(C)C)=CC1=O	ZINC000016779857	494401479	/nfs/dbraw/zinc/40/14/79/494401479.db2.gz	HTESIBYZJWBEEQ-OBGWFSINSA-N	0	0	373.321	3.127	40	30		FGEBRN
CCCCOC1(NC(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC(=O)C=C1C	ZINC000016807579	494401671	/nfs/dbraw/zinc/40/16/71/494401671.db2.gz	KGKNVAHEYXORBY-UHFFFAOYSA-N	0	0	358.394	3.313	40	30		FGEBRN
COc1ccc(Cl)cc1/C=C/C=N/c1ccc(S(N)(=O)=O)cc1	ZINC000016920240	494403471	/nfs/dbraw/zinc/40/34/71/494403471.db2.gz	BPYINGGETDQRCD-MQWSALKESA-N	0	0	350.827	3.412	40	30		FGEBRN
CC(C)c1nn2c(nnc(C#N)c2N)c1-c1ccc(Br)cc1	ZINC000020636174	494478210	/nfs/dbraw/zinc/47/82/10/494478210.db2.gz	AJCUSECQYXEAJW-UHFFFAOYSA-N	0	0	357.215	3.131	40	30		FGEBRN
CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)C[C@H](C)CC1=N2	ZINC000022608355	494528877	/nfs/dbraw/zinc/52/88/77/494528877.db2.gz	VMHGWOCXOVNUIS-PSLIRLAXSA-N	0	0	371.422	3.176	40	30		FGEBRN
N#Cc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)c1	ZINC000096112218	495001840	/nfs/dbraw/zinc/00/18/40/495001840.db2.gz	KWIPZUWFDZJCPH-APWZRJJASA-N	0	0	368.387	3.313	40	30	biogenic,in-vitro	FGEBRN
C#CCOc1c(Br)c(Br)sc1C(=O)OC	ZINC000096511042	495012436	/nfs/dbraw/zinc/01/24/36/495012436.db2.gz	FLYBDXGLGYELPZ-UHFFFAOYSA-N	0	0	354.019	3.072	40	30		FGEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	ZINC000100138587	495063533	/nfs/dbraw/zinc/06/35/33/495063533.db2.gz	DHVJHMMNSYCOHN-CWGWECIMSA-N	0	0	352.434	3.420	40	30		FGEBRN
CC1=C(C)C(=NS(=O)(=O)c2ccc(Br)cc2)C=CC1=O	ZINC000101028102	495067433	/nfs/dbraw/zinc/06/74/33/495067433.db2.gz	MGUUWKIZBLFIAQ-SSZFMOIBSA-N	0	0	354.225	3.054	40	30		FGEBRN
C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O	ZINC000223540402	497038903	/nfs/dbraw/zinc/03/89/03/497038903.db2.gz	CHIXHXTWDSSSMF-FQEVSTJZSA-N	0	0	352.434	3.087	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225652638	497070988	/nfs/dbraw/zinc/07/09/88/497070988.db2.gz	DVSCMVJEOFTSTM-KZNAEPCWSA-N	0	0	361.850	3.090	40	30		FGEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@H](C)C2)cc1	ZINC000225858684	497076994	/nfs/dbraw/zinc/07/69/94/497076994.db2.gz	CYOKJTCTDJLMFF-INIZCTEOSA-N	0	0	350.466	3.100	40	30		FGEBRN
COc1ccc([C@@H]2[C@@H](C=O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000252514141	497309541	/nfs/dbraw/zinc/30/95/41/497309541.db2.gz	BKBNHTNUGHKWSB-BRWVUGGUSA-N	0	0	350.823	3.103	40	30		FGEBRN
O=C1c2cc(-c3ccc(C=Nn4cnnc4)o3)ccc2C(=O)[C@H]2C=CCC=C12	ZINC000254415201	497348664	/nfs/dbraw/zinc/34/86/64/497348664.db2.gz	SFJMNAXVASQKLI-HOTGVXAUSA-N	0	0	370.368	3.158	40	30		FGEBRN
Cc1ccc(C)c(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1	ZINC000256047014	497382638	/nfs/dbraw/zinc/38/26/38/497382638.db2.gz	JRNAXRDOXJGTOU-UHFFFAOYSA-N	0	0	358.449	3.082	40	30		FGEBRN
O=C(NCc1ccc(/C=N/c2ccccc2F)o1)C(=O)Nc1ccccc1	ZINC000408785427	499594846	/nfs/dbraw/zinc/59/48/46/499594846.db2.gz	ZGIGJYISZHMACL-WSDLNYQXSA-N	0	0	365.364	3.424	40	30		FGEBRN
C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)CC)c1ccccc1	ZINC000004965230	518741116	/nfs/dbraw/zinc/74/11/16/518741116.db2.gz	DNXGGYXZDNLNON-MRXNPFEDSA-N	0	0	372.494	3.212	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225029979	518811138	/nfs/dbraw/zinc/81/11/38/518811138.db2.gz	IEGCFEICHOKWDV-UHFFFAOYSA-N	0	0	357.391	3.042	40	30		FGEBRN
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1	ZINC000224203893	518934311	/nfs/dbraw/zinc/93/43/11/518934311.db2.gz	RWAFWNZHBXGBOD-UHFFFAOYSA-N	0	0	358.463	3.044	40	30		FGEBRN
C=CCOCCNc1nc(C(C)C)nc2c1nnn2Cc1ccccc1	ZINC000004985534	518981777	/nfs/dbraw/zinc/98/17/77/518981777.db2.gz	JCEZADMXNGRRHI-UHFFFAOYSA-N	0	0	352.442	3.008	40	30		FGEBRN
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000224762058	519038373	/nfs/dbraw/zinc/03/83/73/519038373.db2.gz	ZYOVXARLBXQLBV-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1	ZINC000223822878	519040665	/nfs/dbraw/zinc/04/06/65/519040665.db2.gz	UFWGLJCUXBTKKY-UHFFFAOYSA-N	0	0	361.419	3.147	40	30		FGEBRN
COc1ccc(-c2csc(N=NCc3ccc4c(c3)OCO4)n2)cc1	ZINC000033428824	523159902	/nfs/dbraw/zinc/15/99/02/523159902.db2.gz	KKVKGEUFPXGIDV-OCKHKDLRSA-N	0	0	353.403	3.415	40	30		FGEBRN
COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3)CC2)cc1OC	ZINC000019879221	523361148	/nfs/dbraw/zinc/36/11/48/523361148.db2.gz	VTEDSZHAUJBTBA-OQKWZONESA-N	0	0	353.466	3.246	40	30		FGEBRN
C=CCOc1ccc(Br)cc1C=NN1C(=S)N=NC1C	ZINC000408846523	570691675	/nfs/dbraw/zinc/69/16/75/570691675.db2.gz	KEZPSHLWDVSHQH-OVCLIPMQSA-N	0	0	353.245	3.085	40	30		FGEBRN
C/N=C1\S/C(=C\c2cc(Br)c(N3CCCC3)o2)C(=O)N1C	ZINC000408857987	570692999	/nfs/dbraw/zinc/69/29/99/570692999.db2.gz	OMTIQYOUUIHDIF-GGYZLSAUSA-N	0	0	370.272	3.174	40	30		FGEBRN
CSc1ccccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000409249826	570745918	/nfs/dbraw/zinc/74/59/18/570745918.db2.gz	PAFFIJZENAAMMC-KGENOOAVSA-N	0	0	370.474	3.397	40	30		FGEBRN
N#Cc1ccccc1-c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)o1	ZINC000409352316	570752699	/nfs/dbraw/zinc/75/26/99/570752699.db2.gz	BXMNPXKCCANBJQ-UHFFFAOYSA-N	0	0	356.341	3.116	40	30		FGEBRN
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	ZINC000096229957	203819947	/nfs/dbraw/zinc/81/99/47/203819947.db2.gz	RPQYIDQBEWMYRG-FQEVSTJZSA-N	0	0	357.454	3.260	40	30		FGEBRN
O=C(N=C1N(c2ccccc2)C(=O)C(=O)N1c1ccccc1)c1ccccc1	ZINC000001644356	204015177	/nfs/dbraw/zinc/01/51/77/204015177.db2.gz	VEFUTPAZBSHDMO-UHFFFAOYSA-N	0	0	369.380	3.263	40	30		FGEBRN
COc1ccccc1[C@@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3	ZINC000005023827	204185362	/nfs/dbraw/zinc/18/53/62/204185362.db2.gz	SQOKEPRIYFHPFR-GJJHYRHESA-N	0	0	362.389	3.204	40	30		FGEBRN
N#Cc1c(N)oc2c1[C@H](c1ccccc1)S(=O)(=O)[C@@H]2c1ccccc1	ZINC000005684980	204220732	/nfs/dbraw/zinc/22/07/32/204220732.db2.gz	UDCWPLCEVLZYIO-ZWKOTPCHSA-N	0	0	350.399	3.341	40	30		FGEBRN
COc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c(OC)c1	ZINC000006032880	204235055	/nfs/dbraw/zinc/23/50/55/204235055.db2.gz	SITAPRSEDPVTLI-ODLFYWEKSA-N	0	0	354.435	3.442	40	30		FGEBRN
CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C#N)cc3)n2)cn1	ZINC000035426230	204268373	/nfs/dbraw/zinc/26/83/73/204268373.db2.gz	SSWIWNROIXSIMF-SFHVURJKSA-N	0	0	374.448	3.406	40	30	biogenic,in-vitro	FGEBRN
C[C@H]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C1	ZINC000007814683	204307957	/nfs/dbraw/zinc/30/79/57/204307957.db2.gz	SGHNNFMGJNROHQ-PTJLRZKYSA-N	0	0	350.488	3.234	40	30		FGEBRN
COc1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OC	ZINC000007491308	204299144	/nfs/dbraw/zinc/29/91/44/204299144.db2.gz	NYGCZTCOILAIBG-CIAFOILYSA-N	0	0	373.522	3.471	40	30		FGEBRN
C#CCOC(=O)c1ccc2oc(-c3cncc(Br)c3)nc2c1	ZINC000073634098	205032003	/nfs/dbraw/zinc/03/20/03/205032003.db2.gz	KWDKNTQARLDXER-UHFFFAOYSA-N	0	0	357.163	3.442	40	30		FGEBRN
C=CCN1C(=S)N=NC1COc1c(F)cc(Br)cc1F	ZINC000226073083	206119578	/nfs/dbraw/zinc/11/95/78/206119578.db2.gz	WUKKGOWCPOUJFM-UHFFFAOYSA-N	0	0	362.199	3.373	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cn1	ZINC000225914977	206120133	/nfs/dbraw/zinc/12/01/33/206120133.db2.gz	BDHAUGFMVPDMKP-UHFFFAOYSA-N	0	0	354.406	3.337	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cn1	ZINC000225920293	206120468	/nfs/dbraw/zinc/12/04/68/206120468.db2.gz	ORMNSCFGBNILCK-UHFFFAOYSA-N	0	0	372.396	3.476	40	30		FGEBRN
C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O	ZINC000005000836	206186950	/nfs/dbraw/zinc/18/69/50/206186950.db2.gz	UJDXNMHLQACVKA-GJZGRUSLSA-N	0	0	367.424	3.316	40	30		FGEBRN
CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3ncnn32)cc1	ZINC000010339485	206280532	/nfs/dbraw/zinc/28/05/32/206280532.db2.gz	YLLFAILNWWSGEE-YJYMSZOUSA-N	0	0	351.454	3.392	40	30		FGEBRN
COC(=O)[C@H]1CC[C@H]2[C@@]34CCC5=CC(=O)CC[C@]5([C@H](OC)O3)[C@H]4CC[C@@]21C	ZINC000119225270	206324561	/nfs/dbraw/zinc/32/45/61/206324561.db2.gz	RWKSXLXAGGNKPV-IPHURZSYSA-N	0	0	374.477	3.413	40	30		FGEBRN
CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218333026	206370038	/nfs/dbraw/zinc/37/00/38/206370038.db2.gz	FZWCZLYJFXVTEJ-BJLQDIEVSA-N	0	0	369.442	3.008	40	30		FGEBRN
COC(=O)c1ccc(CSc2nc(N)c(C#N)c(CC(C)C)n2)cc1	ZINC000225893568	206506014	/nfs/dbraw/zinc/50/60/14/206506014.db2.gz	QXEOMYGISOOUOH-UHFFFAOYSA-N	0	0	356.451	3.208	40	30		FGEBRN
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCC#N	ZINC000409050370	263520007	/nfs/dbraw/zinc/52/00/07/263520007.db2.gz	VCNNCVPIFFYVSS-DHDCSXOGSA-N	0	0	362.476	3.455	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1	ZINC000000795004	493772607	/nfs/dbraw/zinc/77/26/07/493772607.db2.gz	VPGFXBBLAOOTDO-YOEHRIQHSA-N	0	0	371.364	3.176	40	30		FGEBRN
NC(=O)c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(N)=O)cc1	ZINC000000971312	493780072	/nfs/dbraw/zinc/78/00/72/493780072.db2.gz	ZIYVNIQUOCLEBU-BKHCZYBLSA-N	0	0	370.412	3.386	40	30		FGEBRN
C=CCOc1cc2c(cc1OCC=C)C(=O)c1cc3c(cc1C2=O)OCO3	ZINC000005601050	493935992	/nfs/dbraw/zinc/93/59/92/493935992.db2.gz	NLBGUEBVEHJMDT-UHFFFAOYSA-N	0	0	364.353	3.320	40	30		FGEBRN
O=c1c2c3c(sc2ncn1/N=C/c1ccccc1[N+](=O)[O-])CCCC3	ZINC000005583514	493936571	/nfs/dbraw/zinc/93/65/71/493936571.db2.gz	HDCDKLRIAXYPRN-DJKKODMXSA-N	0	0	354.391	3.127	40	30		FGEBRN
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(N)=S)o1	ZINC000006328061	493959313	/nfs/dbraw/zinc/95/93/13/493959313.db2.gz	AGSPXWZVTPFPLU-UFWORHAWSA-N	0	0	365.842	3.332	40	30		FGEBRN
N#Cc1ccccc1COc1ccc(CO)cc1I	ZINC000034772793	494067792	/nfs/dbraw/zinc/06/77/92/494067792.db2.gz	QZAZESKGNMWQQN-UHFFFAOYSA-N	0	0	365.170	3.234	40	30		FGEBRN
CC(=O)/C(=C/NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1C	ZINC000017222338	494410421	/nfs/dbraw/zinc/41/04/21/494410421.db2.gz	OOAWRECCBIWELN-VBKFSLOCSA-N	0	0	353.447	3.393	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(OCC)c(OCC)cc1Br	ZINC000107890507	494617982	/nfs/dbraw/zinc/61/79/82/494617982.db2.gz	LPJYTWKQTLYENV-RQZCQDPDSA-N	0	0	374.304	3.064	40	30		FGEBRN
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	ZINC000096229922	495007980	/nfs/dbraw/zinc/00/79/80/495007980.db2.gz	PTZPNQGFTBQEJM-QFIPXVFZSA-N	0	0	363.461	3.408	40	30		FGEBRN
CC1=C(C)C(=NS(=O)(=O)c2ccccc2)C=C(Br)C1=O	ZINC000101028359	495067586	/nfs/dbraw/zinc/06/75/86/495067586.db2.gz	KWBICZBPNXISCL-SSZFMOIBSA-N	0	0	354.225	3.014	40	30		FGEBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)COC)cc1	ZINC000218408897	497002268	/nfs/dbraw/zinc/00/22/68/497002268.db2.gz	WVGMOKCEXWYOMF-VAMGGRTRSA-N	0	0	355.459	3.345	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	ZINC000218364912	497002889	/nfs/dbraw/zinc/00/28/89/497002889.db2.gz	DVSCMVJEOFTSTM-KURKYZTESA-N	0	0	361.850	3.090	40	30		FGEBRN
C=CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1	ZINC000222918866	497028861	/nfs/dbraw/zinc/02/88/61/497028861.db2.gz	CCRBWYVOBURHCG-QGZVFWFLSA-N	0	0	368.452	3.478	40	30		FGEBRN
CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1	ZINC000225769995	497074955	/nfs/dbraw/zinc/07/49/55/497074955.db2.gz	GWQQWCYCVUXCEK-UHFFFAOYSA-N	0	0	364.401	3.170	40	30		FGEBRN
CC(C)[C@H](CO)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccncc2)n1	ZINC000328965210	499001470	/nfs/dbraw/zinc/00/14/70/499001470.db2.gz	CAKRFVUXIKXMGB-IBGZPJMESA-N	0	0	374.448	3.005	40	30		FGEBRN
CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cc(OC)ccc1OC	ZINC000408582415	499592433	/nfs/dbraw/zinc/59/24/33/499592433.db2.gz	NZOKJIIEEDVQBA-UHFFFAOYSA-N	0	0	356.378	3.235	40	30		FGEBRN
N#Cc1cc2cc(Cc3ccc4oc(=N)c(C#N)cc4c3)ccc2oc1=N	ZINC000408718052	499594380	/nfs/dbraw/zinc/59/43/80/499594380.db2.gz	FPLCXLLIPORILZ-UHFFFAOYSA-N	0	0	352.353	3.472	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2ccc(I)cc2)nc1	ZINC000408751106	499594748	/nfs/dbraw/zinc/59/47/48/499594748.db2.gz	WMAPZWNMALWZMD-CHHVJCJISA-N	0	0	368.134	3.040	40	30		FGEBRN
NC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000408766844	499594900	/nfs/dbraw/zinc/59/49/00/499594900.db2.gz	STFFNQZWMISRER-UFWORHAWSA-N	0	0	368.245	3.380	40	30		FGEBRN
Oc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1I	ZINC000408961783	499595589	/nfs/dbraw/zinc/59/55/89/499595589.db2.gz	FASRGNCGNLJGAR-APSNUPSMSA-N	0	0	367.142	3.476	40	30		FGEBRN
NC(=S)N/N=C/c1cc(Br)c(Sc2ccccc2)o1	ZINC000408995634	499595616	/nfs/dbraw/zinc/59/56/16/499595616.db2.gz	CWLUGQVMSYKVJD-VIZOYTHASA-N	0	0	356.270	3.360	40	30		FGEBRN
C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(C)cc1	ZINC000224689717	518803869	/nfs/dbraw/zinc/80/38/69/518803869.db2.gz	JSIODWDCBGQANH-UHFFFAOYSA-N	0	0	359.447	3.471	40	30		FGEBRN
CCCn1nnnc1/N=C/c1ccc(OCc2ccccc2)c(OC)c1	ZINC000006204994	519896872	/nfs/dbraw/zinc/89/68/72/519896872.db2.gz	VWEQQYBYPZVCNZ-DEDYPNTBSA-N	0	0	351.410	3.421	40	30		FGEBRN
C=CCOc1ccc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409346341	570752167	/nfs/dbraw/zinc/75/21/67/570752167.db2.gz	KOWWIONSJIFNBM-UHFFFAOYSA-N	0	0	355.781	3.203	40	30		FGEBRN
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1cc(C)ccn1	ZINC000409351788	570752477	/nfs/dbraw/zinc/75/24/77/570752477.db2.gz	ZEZDECANHOBKPA-UHFFFAOYSA-N	0	0	373.416	3.095	40	30		FGEBRN
COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409043690	713994981	/nfs/dbraw/zinc/99/49/81/713994981.db2.gz	ZBTLVWSCKPERMG-IPKBDRFQSA-N	0	0	363.189	3.317	40	30		FGEBRN
CC[C@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2ccncc2)n1	ZINC000328977187	203844613	/nfs/dbraw/zinc/84/46/13/203844613.db2.gz	FRVRFKOCZYJDDW-ZDUSSCGKSA-N	0	0	362.412	3.347	40	30		FGEBRN
COc1cc(/C=N/n2c(SC)nnc2C(F)F)ccc1OC(F)F	ZINC000002789906	203806669	/nfs/dbraw/zinc/80/66/69/203806669.db2.gz	DXUBSOQXLODBQW-NGYBGAFCSA-N	0	0	364.324	3.430	40	30		FGEBRN
C=C1C(=O)c2cc3c(OC(C)=O)ccc(OC(C)=O)c3cc2C(=O)C1C	ZINC000001583527	204013158	/nfs/dbraw/zinc/01/31/58/204013158.db2.gz	ZDPXPZQVJXWSFW-UHFFFAOYSA-N	0	0	352.342	3.406	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(=O)OCC)cc2)c1C	ZINC000003282716	204086876	/nfs/dbraw/zinc/08/68/76/204086876.db2.gz	CRJWCDGALDWHLM-CIAFOILYSA-N	0	0	372.494	3.089	40	30		FGEBRN
CCC/C(=N\OCC)C1=C(N2CCCC2)CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000005614623	204218332	/nfs/dbraw/zinc/21/83/32/204218332.db2.gz	QDOYOCJWZWVXMD-AQRZYSDFSA-N	0	0	364.486	3.317	40	30		FGEBRN
N#Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1	ZINC000006544186	204252189	/nfs/dbraw/zinc/25/21/89/204252189.db2.gz	AOMIAYBJKNNQGT-UHFFFAOYSA-N	0	0	350.403	3.263	40	30		FGEBRN
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1	ZINC000006870401	204278639	/nfs/dbraw/zinc/27/86/39/204278639.db2.gz	LATJFKVHOLHUKM-YBEGLDIGSA-N	0	0	356.403	3.388	40	30		FGEBRN
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000118917952	206103385	/nfs/dbraw/zinc/10/33/85/206103385.db2.gz	QREPSQOWKKIPJJ-OHIZPDRYSA-N	0	0	360.494	3.057	40	30		FGEBRN
COc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1	ZINC000000862117	206136933	/nfs/dbraw/zinc/13/69/33/206136933.db2.gz	YQVNZLIKSSFVFK-UHFFFAOYSA-N	0	0	356.432	3.302	40	30		FGEBRN
C=CC/N=c1/sc(C(=O)Nc2ccc(Cl)cc2)cc(=O)n1CC=C	ZINC000002727842	206346087	/nfs/dbraw/zinc/34/60/87/206346087.db2.gz	VTNYBQYFSNTKBX-HTXNQAPBSA-N	0	0	361.854	3.088	40	30		FGEBRN
N#C[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218528898	206371641	/nfs/dbraw/zinc/37/16/41/206371641.db2.gz	QNYPUCCLMNBFOY-PMPSAXMXSA-N	0	0	367.257	3.154	40	30		FGEBRN
Cc1c(Br)c(C(F)(F)F)nn1-c1ccc(C(=O)NO)cc1	ZINC000217597199	206364764	/nfs/dbraw/zinc/36/47/64/206364764.db2.gz	LYTJGBCDQBSITN-UHFFFAOYSA-N	0	0	364.121	3.081	40	30		FGEBRN
COC(=O)c1ccc(COc2ccccc2/C=N/n2c(C)nnc2C)cc1	ZINC000006687172	263346279	/nfs/dbraw/zinc/34/62/79/263346279.db2.gz	YRAXUQKWUIFUAL-CIAFOILYSA-N	0	0	364.405	3.143	40	30		FGEBRN
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCC#N	ZINC000408816782	263498646	/nfs/dbraw/zinc/49/86/46/263498646.db2.gz	KEHSPEKRIAXMRR-WQLSENKSSA-N	0	0	352.799	3.307	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O	ZINC000409123135	263530377	/nfs/dbraw/zinc/53/03/77/263530377.db2.gz	FFMGTWCERPIYMF-LDADJPATSA-N	0	0	352.365	3.483	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O	ZINC000409140703	263533626	/nfs/dbraw/zinc/53/36/26/263533626.db2.gz	RWIRTGSIALLBIB-LFIBNONCSA-N	0	0	366.373	3.120	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C	ZINC000006026496	493949067	/nfs/dbraw/zinc/94/90/67/493949067.db2.gz	IEIFYSWGOPHPOT-SRZZPIQSSA-N	0	0	372.494	3.007	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Br)s2)cc1	ZINC000006275414	493956399	/nfs/dbraw/zinc/95/63/99/493956399.db2.gz	FJSFJFIQBLDXJO-RIYZIHGNSA-N	0	0	359.270	3.131	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCCC3)cc2)cc1	ZINC000007945934	494055182	/nfs/dbraw/zinc/05/51/82/494055182.db2.gz	WTVZQBXWDKEYGE-HMMYKYKNSA-N	0	0	357.479	3.298	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(N(CC)CC)c(Br)c1	ZINC000033737211	494062977	/nfs/dbraw/zinc/06/29/77/494062977.db2.gz	QTEGTRPSDJSKAY-LICLKQGHSA-N	0	0	357.321	3.113	40	30		FGEBRN
COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C#N)cc1F	ZINC000008161781	494072022	/nfs/dbraw/zinc/07/20/22/494072022.db2.gz	WJEDILXWEJDAGP-UHFFFAOYSA-N	0	0	362.744	3.155	40	30		FGEBRN
C=CCn1c(SCCC(=O)OCC)nc2sc(C)c(C)c2c1=O	ZINC000036644067	494094831	/nfs/dbraw/zinc/09/48/31/494094831.db2.gz	WKYCAZUFMGFDNG-UHFFFAOYSA-N	0	0	352.481	3.306	40	30		FGEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1[N+](=O)[O-]	ZINC000010000995	494138885	/nfs/dbraw/zinc/13/88/85/494138885.db2.gz	ATZBIYNGQXMCCP-HSHIVQNRSA-N	0	0	356.334	3.336	40	30		FGEBRN
CO[C@H](C)CCN=Nc1nnc(N=NCC[C@H](C)OC)c2ccccc21	ZINC000017418194	494414243	/nfs/dbraw/zinc/41/42/43/494414243.db2.gz	BRCPZVOBLPHGKE-LNXOVZJCSA-N	0	0	358.446	3.275	40	30		FGEBRN
C=CCN1C[C@H](C(=O)N[C@@H]2[C@@H]3CCCC[C@@H]3[C@H]2c2ccccc2)CC1=O	ZINC000019015181	494434334	/nfs/dbraw/zinc/43/43/34/494434334.db2.gz	ZPXCRBBIHGGEAR-XOPFUANDSA-N	0	0	352.478	3.110	40	30		FGEBRN
COc1cccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3nc(SC)nn32)c1	ZINC000022608363	494528861	/nfs/dbraw/zinc/52/88/61/494528861.db2.gz	MLTQMNRPCWJDGC-MGPLVRAMSA-N	0	0	356.451	3.277	40	30		FGEBRN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)o1	ZINC000097601503	495039122	/nfs/dbraw/zinc/03/91/22/495039122.db2.gz	HIDAGMRMSQPNGL-UHFFFAOYSA-N	0	0	371.809	3.387	40	30		FGEBRN
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	ZINC000216774685	496991726	/nfs/dbraw/zinc/99/17/26/496991726.db2.gz	QGPIQFYWRLCRHT-OAQYLSRUSA-N	0	0	359.433	3.038	40	30		FGEBRN
N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1	ZINC000278066190	496992140	/nfs/dbraw/zinc/99/21/40/496992140.db2.gz	ZHUOKIVGSLTWAO-QRVBRYPASA-N	0	0	374.444	3.365	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	ZINC000225659462	497070633	/nfs/dbraw/zinc/07/06/33/497070633.db2.gz	VPNHDICAGDPECL-OKZBNKHCSA-N	0	0	359.834	3.297	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	ZINC000225652518	497071009	/nfs/dbraw/zinc/07/10/09/497071009.db2.gz	QPBVBOSGUGRZNH-KZNAEPCWSA-N	0	0	361.850	3.090	40	30		FGEBRN
COC(=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@]34CCC(=O)C=C3CC[C@]21O[C@@H]4OC	ZINC000254567561	497349548	/nfs/dbraw/zinc/34/95/48/497349548.db2.gz	RWKSXLXAGGNKPV-SBTDHBFYSA-N	0	0	374.477	3.413	40	30		FGEBRN
CCn1c2ccccc2[nH]c1=NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000408692811	499593774	/nfs/dbraw/zinc/59/37/74/499593774.db2.gz	VYXYPHFQQQOXKJ-GIJQJNRQSA-N	0	0	353.338	3.139	40	30		FGEBRN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)o1	ZINC000408796311	499594795	/nfs/dbraw/zinc/59/47/95/499594795.db2.gz	OSYVSBRDNLAKHD-MRXNPFEDSA-N	0	0	351.358	3.030	40	30		FGEBRN
C#CCOc1c(Cl)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1OC	ZINC000409096592	499595621	/nfs/dbraw/zinc/59/56/21/499595621.db2.gz	KMJGJWCSTBMSMP-VXLYETTFSA-N	0	0	360.757	3.110	40	30		FGEBRN
C=CCn1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21	ZINC000409098069	499595632	/nfs/dbraw/zinc/59/56/32/499595632.db2.gz	JZPLHOYKXWKCLS-SEJMYLSOSA-N	0	0	370.430	3.425	40	30		FGEBRN
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225073805	518815077	/nfs/dbraw/zinc/81/50/77/518815077.db2.gz	KHUQMDWJZCQHLX-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224744965	518822221	/nfs/dbraw/zinc/82/22/21/518822221.db2.gz	RNLPLEJGCSNYBX-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1	ZINC000224001676	518935663	/nfs/dbraw/zinc/93/56/63/518935663.db2.gz	KEPUDZPCENTJTO-UHFFFAOYSA-N	0	0	364.854	3.365	40	30		FGEBRN
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000224790442	519036712	/nfs/dbraw/zinc/03/67/12/519036712.db2.gz	CLLMLDCQEFMYKW-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000224904825	519037301	/nfs/dbraw/zinc/03/73/01/519037301.db2.gz	BBGUEXGRQDFXLY-UHFFFAOYSA-N	0	0	374.462	3.425	40	30		FGEBRN
CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)N=Nc1ccccc1	ZINC000004983715	520397865	/nfs/dbraw/zinc/39/78/65/520397865.db2.gz	YDHXEDKCVVJCLO-NKFKGCMQSA-N	0	0	363.417	3.112	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@@]3(C)[C@H]1C2	ZINC000252516564	526210168	/nfs/dbraw/zinc/21/01/68/526210168.db2.gz	UHNRJNAOOCIDDJ-ICEGZTQRSA-N	0	0	360.450	3.164	40	30	biogenic,in-vitro	FGEBRN
Oc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1	ZINC000408846956	570691594	/nfs/dbraw/zinc/69/15/94/570691594.db2.gz	OHMYWKOMWBFTPX-YVLHZVERSA-N	0	0	351.200	3.335	40	30		FGEBRN
C/N=C1/S/C(=C\c2cc(Cl)c(OCC#N)c(Cl)c2)C(=O)N1C	ZINC000408854047	570692997	/nfs/dbraw/zinc/69/29/97/570692997.db2.gz	WIQFMPISIFMKTE-YEVUBHQRSA-N	0	0	356.234	3.428	40	30		FGEBRN
COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3O)S2)cc1	ZINC000408968166	570705093	/nfs/dbraw/zinc/70/50/93/570705093.db2.gz	ZUGORTSWZXULRC-GDNBJRDFSA-N	0	0	356.403	3.301	40	30		FGEBRN
C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1OCC	ZINC000409079785	570720749	/nfs/dbraw/zinc/72/07/49/570720749.db2.gz	LTDHMRUXJJGKCT-LFIBNONCSA-N	0	0	374.462	3.319	40	30		FGEBRN
C=CCOC[C@@H]1CCC[C@]12CN(C(=O)c1ccc3[nH]ccc3c1)CCO2	ZINC000253377241	120318091	/nfs/dbraw/zinc/31/80/91/120318091.db2.gz	WLZJXYFTJBNARI-RXVVDRJESA-N	0	0	354.450	3.382	40	30		FGEBRN
CC[C@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2ccccn2)n1	ZINC000329001562	203845112	/nfs/dbraw/zinc/84/51/12/203845112.db2.gz	KFAPBHZOBUYKEY-ZDUSSCGKSA-N	0	0	362.412	3.347	40	30		FGEBRN
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	ZINC000096229923	203819450	/nfs/dbraw/zinc/81/94/50/203819450.db2.gz	PTZPNQGFTBQEJM-JOCHJYFZSA-N	0	0	363.461	3.408	40	30		FGEBRN
OC/C(I)=C/C(F)(C(F)(F)F)C(F)(F)F	ZINC000002525718	204043788	/nfs/dbraw/zinc/04/37/88/204043788.db2.gz	RLTYZSOFMJFAHD-IWQZZHSRSA-N	0	0	351.987	3.131	40	30		FGEBRN
N#Cc1c(N)oc2c1[C@H](c1ccccc1)S(=O)(=O)[C@H]2c1ccccc1	ZINC000005684977	204221450	/nfs/dbraw/zinc/22/14/50/204221450.db2.gz	UDCWPLCEVLZYIO-ROUUACIJSA-N	0	0	350.399	3.341	40	30		FGEBRN
NC(=S)N/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	ZINC000008653587	204337381	/nfs/dbraw/zinc/33/73/81/204337381.db2.gz	KQKQPRIUCLJKSG-AUQXIXNCSA-N	0	0	359.838	3.179	40	30		FGEBRN
CC[C@]1(C)NC(=O)N(N=CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O	ZINC000036843867	205021906	/nfs/dbraw/zinc/02/19/06/205021906.db2.gz	CLLLCKNIDPLRCA-QHBNVQQXSA-N	0	0	368.220	3.476	40	30		FGEBRN
N#Cc1cccc(N2C[C@@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)c1	ZINC000096238879	205860328	/nfs/dbraw/zinc/86/03/28/205860328.db2.gz	LTLCZRTUWFECKU-NRFANRHFSA-N	0	0	366.465	3.029	40	30		FGEBRN
COc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1	ZINC000001223610	206144190	/nfs/dbraw/zinc/14/41/90/206144190.db2.gz	PBGNTCBANKNOSI-UHFFFAOYSA-N	0	0	353.403	3.117	40	30		FGEBRN
C/C(=N/N)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118916310	206336077	/nfs/dbraw/zinc/33/60/77/206336077.db2.gz	GUIUGRNHIOQLSU-PCUWJBHXSA-N	0	0	356.514	3.106	40	30		FGEBRN
CC(=O)C1=C(C)Nc2nc(N3CCCCC3)nc(N)c2[C@H]1c1ccccc1	ZINC000013637613	132869082	/nfs/dbraw/zinc/86/90/82/132869082.db2.gz	DZZPYMKRJIAKTB-KRWDZBQOSA-N	0	0	363.465	3.470	40	30		FGEBRN
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1	ZINC000216776635	263457852	/nfs/dbraw/zinc/45/78/52/263457852.db2.gz	NPLOZWGIDBGWBS-NRFANRHFSA-N	0	0	359.433	3.038	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O	ZINC000409123591	263530384	/nfs/dbraw/zinc/53/03/84/263530384.db2.gz	HKZJSNBLBNYTTJ-LDADJPATSA-N	0	0	352.365	3.483	40	30		FGEBRN
N#Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1	ZINC000059488749	493906473	/nfs/dbraw/zinc/90/64/73/493906473.db2.gz	XYSDOYRXXRLSNK-UHFFFAOYSA-N	0	0	356.813	3.442	40	30		FGEBRN
C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(CCC)C2=O)cc1OC	ZINC000006879246	493984352	/nfs/dbraw/zinc/98/43/52/493984352.db2.gz	IYOJUVQOJKHPOV-CQSZACIVSA-N	0	0	367.854	3.377	40	30		FGEBRN
C#CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(CC)C1=O	ZINC000006952882	493989205	/nfs/dbraw/zinc/98/92/05/493989205.db2.gz	WVNWMTRMYYRIRH-CYBMUJFWSA-N	0	0	368.252	3.088	40	30		FGEBRN
COCc1cc(C)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C#N	ZINC000006961395	493990342	/nfs/dbraw/zinc/99/03/42/493990342.db2.gz	YHMVFESFTHLEKV-UHFFFAOYSA-N	0	0	372.406	3.047	40	30		FGEBRN
C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1	ZINC000008478393	494092512	/nfs/dbraw/zinc/09/25/12/494092512.db2.gz	OBTCAXZLGXJJIZ-UHFFFAOYSA-N	0	0	369.373	3.077	40	30		FGEBRN
COc1ccc2c(c1)CCC(c1nc3cccc([N+](=O)[O-])c3[nH]c1=O)C2=O	ZINC000017732220	494416660	/nfs/dbraw/zinc/41/66/60/494416660.db2.gz	MPYLKSRGURPQFD-SSZFMOIBSA-N	0	0	365.345	3.051	40	30		FGEBRN
CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000022608312	494529022	/nfs/dbraw/zinc/52/90/22/494529022.db2.gz	GHOHWLMGXIHTGN-GTNSWQLSSA-N	0	0	369.494	3.334	40	30		FGEBRN
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3[nH]ccc3c1)C2	ZINC000096077094	495001229	/nfs/dbraw/zinc/00/12/29/495001229.db2.gz	GGNSKXUKZWXUBY-OAQYLSRUSA-N	0	0	351.450	3.341	40	30		FGEBRN
N#CC1(C(=O)N2Cc3cc(-c4ccncc4)ccc3[C@@H]2c2cnco2)CC1	ZINC000096087082	495001322	/nfs/dbraw/zinc/00/13/22/495001322.db2.gz	BLDLMDQVVDSTNH-LJQANCHMSA-N	0	0	356.385	3.472	40	30		FGEBRN
Cc1nc(CN2CCC3(CC2)OCCN(CC#N)c2ccccc23)cs1	ZINC000096243974	495008754	/nfs/dbraw/zinc/00/87/54/495008754.db2.gz	VQBSNXHKAFLBDP-UHFFFAOYSA-N	0	0	368.506	3.303	40	30		FGEBRN
N#CCC(=O)c1ccc(I)c(F)c1Br	ZINC000098210950	495062693	/nfs/dbraw/zinc/06/26/93/495062693.db2.gz	AARNULBODOCCGB-UHFFFAOYSA-N	0	0	367.943	3.289	40	30		FGEBRN
CC(=O)Oc1ccc(O)c2c1C(=O)C(Cl)=C(Nc1ccccc1)C2=O	ZINC000100251657	495064312	/nfs/dbraw/zinc/06/43/12/495064312.db2.gz	VCYFSQPHNSHVEN-UHFFFAOYSA-N	0	0	357.749	3.259	40	30		FGEBRN
O=C[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000218222981	497001076	/nfs/dbraw/zinc/00/10/76/497001076.db2.gz	HMTZHBTZFZNPHU-PMPSAXMXSA-N	0	0	365.248	3.204	40	30		FGEBRN
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225655736	497070641	/nfs/dbraw/zinc/07/06/41/497070641.db2.gz	IGBIWGLJVMEBNC-SQNIBIBYSA-N	0	0	361.850	3.090	40	30		FGEBRN
N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CC[C@H](c2ccccc2)C1	ZINC000256045618	497381782	/nfs/dbraw/zinc/38/17/82/497381782.db2.gz	ADAMSZLYYKGONF-HNNXBMFYSA-N	0	0	360.377	3.041	40	30		FGEBRN
N#Cc1ccc(O[C@H]2Cn3cccc3CN(C(=O)C3=CCCCC3)C2)nc1	ZINC000306127085	498738146	/nfs/dbraw/zinc/73/81/46/498738146.db2.gz	FOEXVXVNFMYXBT-IBGZPJMESA-N	0	0	362.433	3.045	40	30		FGEBRN
CC(C)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1	ZINC000408587013	499592364	/nfs/dbraw/zinc/59/23/64/499592364.db2.gz	DNLLVGFPNOJNFM-RQZCQDPDSA-N	0	0	360.326	3.442	40	30		FGEBRN
COc1ccc(NN=C2C=C(c3ccc(OC)cc3OC)OC2=O)cc1	ZINC000408725986	499594483	/nfs/dbraw/zinc/59/44/83/499594483.db2.gz	NSPFSOBDLITQHO-PGMHBOJBSA-N	0	0	354.362	3.078	40	30		FGEBRN
C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCC1)C2	ZINC000585106987	507572085	/nfs/dbraw/zinc/57/20/85/507572085.db2.gz	MYKFTDZLRDWZHS-JOCHJYFZSA-N	0	0	362.477	3.496	40	30		FGEBRN
C=CCN(Cc1ccc(C(=O)NCC)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000224475249	518778198	/nfs/dbraw/zinc/77/81/98/518778198.db2.gz	YJOBDFQPXLMGHI-UHFFFAOYSA-N	0	0	372.490	3.122	40	30		FGEBRN
COc1ccc(OC)c(N=NCCCCN2C(=O)c3ccccc3C2=O)c1	ZINC000033928951	524842511	/nfs/dbraw/zinc/84/25/11/524842511.db2.gz	PJAPXEYBXKRGRB-NHDPSOOVSA-N	0	0	367.405	3.178	40	30		FGEBRN
COc1ccc([C@@H](C#N)NCCCN[C@H](C#N)c2ccc(OC)cc2)cc1	ZINC000090531758	525115568	/nfs/dbraw/zinc/11/55/68/525115568.db2.gz	FKRDCLMTLCIITA-NHCUHLMSSA-N	0	0	364.449	3.103	40	30		FGEBRN
OCC(=NNc1ccccc1)c1cccc(C(CO)=[NH+][N-]c2ccccc2)c1	ZINC000004266037	527505091	/nfs/dbraw/zinc/50/50/91/527505091.db2.gz	RHNWEHNPPNHOKZ-KOUJMYIZSA-N	0	0	374.444	3.304	40	30		FGEBRN
O=C(NCc1ccc(/C=N/c2ccc(F)cc2)o1)C(=O)Nc1ccccc1	ZINC000408865652	570693834	/nfs/dbraw/zinc/69/38/34/570693834.db2.gz	DMSWLVDLPAJSEL-WSDLNYQXSA-N	0	0	365.364	3.424	40	30		FGEBRN
C=CCOc1c(Cl)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC	ZINC000409026412	570714347	/nfs/dbraw/zinc/71/43/47/570714347.db2.gz	OIXQJRVZAMSQMH-JYRVWZFOSA-N	0	0	366.826	3.020	40	30		FGEBRN
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc[nH]1)C1c3ccccc3C2c2ccccc21	ZINC000409086332	570721673	/nfs/dbraw/zinc/72/16/73/570721673.db2.gz	ZCGNANLCEDZFAV-NEPCMBFISA-N	0	0	367.408	3.241	40	30		FGEBRN
O=C(Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21)NC1CC1	ZINC000409144097	570732864	/nfs/dbraw/zinc/73/28/64/570732864.db2.gz	NYELHVHOEHOSAX-UHFFFAOYSA-N	0	0	370.408	3.383	40	30		FGEBRN
C=CCc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O	ZINC000409208492	570739889	/nfs/dbraw/zinc/73/98/89/570739889.db2.gz	GIBIRMHBRAELQJ-ZDLGFXPLSA-N	0	0	372.337	3.392	40	30		FGEBRN
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1	ZINC000218519350	209667391	/nfs/dbraw/zinc/66/73/91/209667391.db2.gz	CLMHGDADCKOMCX-SLFFLAALSA-N	0	0	353.443	3.206	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218105955	209662866	/nfs/dbraw/zinc/66/28/66/209662866.db2.gz	FJBZOHUXLUKREY-HSALFYBXSA-N	0	0	371.458	3.100	40	30		FGEBRN
CCn1c(=O)c(/C=N/NC(=S)Nc2ccccc2)c([O-])c2ccccc21	ZINC000103461934	209253399	/nfs/dbraw/zinc/25/33/99/209253399.db2.gz	VOXYFTRXCKFIIZ-UDWIEESQSA-N	0	0	366.446	3.048	40	30		FGEBRN
N#Cc1cc2c(nc1SCCCN1C(=O)c3ccccc3C1=O)CCC2	ZINC000004075050	207000101	/nfs/dbraw/zinc/00/01/01/207000101.db2.gz	FDIBRLCAZQTHEK-UHFFFAOYSA-N	0	0	363.442	3.220	40	30		FGEBRN
Cc1cccc2cc(C#N)c(NCCNC(=O)NC3CCCCC3)nc12	ZINC000004411522	207019132	/nfs/dbraw/zinc/01/91/32/207019132.db2.gz	JNSAQTVOUHMDDY-UHFFFAOYSA-N	0	0	351.454	3.459	40	30		FGEBRN
CCOC(=O)/C(=C/n1c(=O)sc2ccccc21)C(=O)c1ccccc1	ZINC000005828116	207118545	/nfs/dbraw/zinc/11/85/45/207118545.db2.gz	HOKODFITTJUAMH-WYMLVPIESA-N	0	0	353.399	3.350	40	30		FGEBRN
Cc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@@H](C)CC1=O)N2	ZINC000022608125	207813487	/nfs/dbraw/zinc/81/34/87/207813487.db2.gz	BJCFJWMOTDPJDU-BCTVWOGZSA-N	0	0	373.800	3.416	40	30		FGEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(SCCO)c([N+](=O)[O-])c2)cc1	ZINC000032124571	208026747	/nfs/dbraw/zinc/02/67/47/208026747.db2.gz	YGOAAUYBOKCNIW-YBEGLDIGSA-N	0	0	362.367	3.033	40	30		FGEBRN
Cc1cccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	ZINC000017076594	263372255	/nfs/dbraw/zinc/37/22/55/263372255.db2.gz	MBBIBCFEDRREBN-FUHWJXTLSA-N	0	0	374.440	3.470	40	30		FGEBRN
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	ZINC000216769072	263457919	/nfs/dbraw/zinc/45/79/19/263457919.db2.gz	ZNRMRZVVCVNUFC-NRFANRHFSA-N	0	0	359.433	3.296	40	30		FGEBRN
Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccco1	ZINC000409141166	263533539	/nfs/dbraw/zinc/53/35/39/263533539.db2.gz	HDJONLVVKIQVBZ-UHFFFAOYSA-N	0	0	373.368	3.399	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(F)c1	ZINC000000795003	493772396	/nfs/dbraw/zinc/77/23/96/493772396.db2.gz	VPGFXBBLAOOTDO-RHSMWYFYSA-N	0	0	371.364	3.176	40	30		FGEBRN
Cc1c(/C=N/NS(=O)(=O)c2ccccc2)nccc1-c1ccccc1	ZINC000001559049	493796590	/nfs/dbraw/zinc/79/65/90/493796590.db2.gz	FYKIGNVDAGMYTO-KGENOOAVSA-N	0	0	351.431	3.369	40	30		FGEBRN
C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002578094	493810773	/nfs/dbraw/zinc/81/07/73/493810773.db2.gz	BCTGGJURYOEMFV-LURJTMIESA-N	0	0	362.188	3.325	40	30		FGEBRN
CN1C(=O)c2ccc(/N=C/c3cc(Br)ccc3O)cc2C1=O	ZINC000002774626	493819169	/nfs/dbraw/zinc/81/91/69/493819169.db2.gz	OCVUEMJXDWHDOA-QGMBQPNBSA-N	0	0	359.179	3.131	40	30		FGEBRN
C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1	ZINC000003536106	493851473	/nfs/dbraw/zinc/85/14/73/493851473.db2.gz	ZEWQGESMDRXDOW-UHFFFAOYSA-N	0	0	368.462	3.289	40	30		FGEBRN
c1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cs1	ZINC000059514385	493907217	/nfs/dbraw/zinc/90/72/17/493907217.db2.gz	NDWWENOPTNZSEO-CPNJWEJPSA-N	0	0	371.514	3.360	40	30		FGEBRN
N#CCCC(CCC#N)(CCC(CCC#N)(CCC#N)[N+](=O)[O-])[N+](=O)[O-]	ZINC000005500915	493932919	/nfs/dbraw/zinc/93/29/19/493932919.db2.gz	FYIPKDWFEWWDQK-UHFFFAOYSA-N	0	0	360.374	3.013	40	30		FGEBRN
COc1ccc2c(c1)/C(=N/OC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2	ZINC000032131525	493976425	/nfs/dbraw/zinc/97/64/25/493976425.db2.gz	SWZUOOMOLPRASI-CZIZESTLSA-N	0	0	354.362	3.430	40	30		FGEBRN
COc1ccc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)cc1OC	ZINC000009287742	494119170	/nfs/dbraw/zinc/11/91/70/494119170.db2.gz	WFHOPOAXOZSSOP-UHFFFAOYSA-N	0	0	364.401	3.469	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1	ZINC000010365375	494151157	/nfs/dbraw/zinc/15/11/57/494151157.db2.gz	YOYATRRWWGMVQX-UHFFFAOYSA-N	0	0	360.435	3.184	40	30		FGEBRN
CO/N=C(\c1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000072414112	494166576	/nfs/dbraw/zinc/16/65/76/494166576.db2.gz	IFUUHNPQUCKPPW-SILNSSARSA-N	0	0	367.321	3.292	40	30		FGEBRN
CC(C)C(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1	ZINC000012220077	494215215	/nfs/dbraw/zinc/21/52/15/494215215.db2.gz	PDJPMYZXUKDNIO-UHFFFAOYSA-N	0	0	353.466	3.257	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1	ZINC000015609555	494362352	/nfs/dbraw/zinc/36/23/52/494362352.db2.gz	VVSCVGGZPLOHIO-UHFFFAOYSA-N	0	0	368.433	3.409	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1	ZINC000015609359	494362539	/nfs/dbraw/zinc/36/25/39/494362539.db2.gz	CQUDVNRNNIUUHN-UHFFFAOYSA-N	0	0	368.433	3.191	40	30		FGEBRN
C=CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C	ZINC000019817041	494461342	/nfs/dbraw/zinc/46/13/42/494461342.db2.gz	BNVCWYSXWZBKSH-UHFFFAOYSA-N	0	0	373.210	3.205	40	30		FGEBRN
C=CCN1C(=O)/C(=C\c2cccc(O)c2)C(=O)N(c2ccccc2)C1=S	ZINC000108906699	494801377	/nfs/dbraw/zinc/80/13/77/494801377.db2.gz	GROALLWFNVYNQV-GHRIWEEISA-N	0	0	364.426	3.122	40	30		FGEBRN
C=CCOC[C@H]1CCC[C@]12CN(C(=O)c1ccc3[nH]ccc3c1)CCO2	ZINC000096159909	495005693	/nfs/dbraw/zinc/00/56/93/495005693.db2.gz	WLZJXYFTJBNARI-NQIIRXRSSA-N	0	0	354.450	3.382	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218454916	497001942	/nfs/dbraw/zinc/00/19/42/497001942.db2.gz	ICBYPOBNMXLKFT-CEXWTWQISA-N	0	0	359.422	3.230	40	30		FGEBRN
COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccc(C)cc1	ZINC000225860985	497077651	/nfs/dbraw/zinc/07/76/51/497077651.db2.gz	TZWNBZHSJHYZPI-UHFFFAOYSA-N	0	0	374.444	3.489	40	30		FGEBRN
N#Cc1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@@H]3C2)c1	ZINC000306129535	498738574	/nfs/dbraw/zinc/73/85/74/498738574.db2.gz	IGJSKFBSWMVDMF-RBUKOAKNSA-N	0	0	369.428	3.076	40	30		FGEBRN
N#Cc1ccccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1	ZINC000329042617	499023810	/nfs/dbraw/zinc/02/38/10/499023810.db2.gz	SPDWBPQRERZJPU-UHFFFAOYSA-N	0	0	356.433	3.352	40	30		FGEBRN
C=CCc1cc(CO)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409113479	499595894	/nfs/dbraw/zinc/59/58/94/499595894.db2.gz	IJLQWKJACJWQCY-UHFFFAOYSA-N	0	0	368.838	3.337	40	30		FGEBRN
Cc1ccccc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1	ZINC000585101588	507568150	/nfs/dbraw/zinc/56/81/50/507568150.db2.gz	JCUOJHHYOFWYRI-JOCHJYFZSA-N	0	0	359.429	3.136	40	30		FGEBRN
Cn1ccnc1CN1CCC[C@H]1c1csc(Nc2cc(C#N)ccn2)n1	ZINC000585294826	507587494	/nfs/dbraw/zinc/58/74/94/507587494.db2.gz	KQNWSCDBLPPEKH-HNNXBMFYSA-N	0	0	365.466	3.224	40	30		FGEBRN
C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1	ZINC000224855155	518812334	/nfs/dbraw/zinc/81/23/34/518812334.db2.gz	ZKYVPVUKVXWDPF-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224830144	518815453	/nfs/dbraw/zinc/81/54/53/518815453.db2.gz	AIAVMPHXRVEGFO-UHFFFAOYSA-N	0	0	359.447	3.456	40	30		FGEBRN
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224759362	518817703	/nfs/dbraw/zinc/81/77/03/518817703.db2.gz	WFPJNJLVGLHFSO-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000224328104	518932522	/nfs/dbraw/zinc/93/25/22/518932522.db2.gz	XENGBEVSGLQNJQ-UHFFFAOYSA-N	0	0	364.854	3.081	40	30		FGEBRN
CC(=O)Oc1ccc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)cc1	ZINC000024091709	519758802	/nfs/dbraw/zinc/75/88/02/519758802.db2.gz	XOSPBUZLDPCYJP-XLNRJJMWSA-N	0	0	351.450	3.154	40	30		FGEBRN
N#CC(=CNNC(=S)NN=C[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000004758172	526504339	/nfs/dbraw/zinc/50/43/39/526504339.db2.gz	UWZJEMIGAXVKBG-BJPQMVKWSA-N	0	0	360.446	3.448	40	30		FGEBRN
COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC	ZINC000408879953	570694399	/nfs/dbraw/zinc/69/43/99/570694399.db2.gz	HYVTVYCEBMIPNF-WOJGMQOQSA-N	0	0	359.407	3.161	40	30		FGEBRN
COc1cc(OC)c(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1	ZINC000408930689	570700853	/nfs/dbraw/zinc/70/08/53/570700853.db2.gz	ASTVUEMUOYODNT-KGENOOAVSA-N	0	0	356.422	3.300	40	30		FGEBRN
COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1O	ZINC000408946526	570702123	/nfs/dbraw/zinc/70/21/23/570702123.db2.gz	YVSGTCOPVGBOQM-APSNUPSMSA-N	0	0	366.717	3.317	40	30		FGEBRN
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc[nH]1)C1c3ccccc3C2c2ccccc21	ZINC000409086325	570721719	/nfs/dbraw/zinc/72/17/19/570721719.db2.gz	ZCGNANLCEDZFAV-LOTMACBYSA-N	0	0	367.408	3.241	40	30		FGEBRN
CCOC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2OC)c1	ZINC000409238224	570743164	/nfs/dbraw/zinc/74/31/64/570743164.db2.gz	MDPWYJIATBEPQV-JCMHNJIXSA-N	0	0	368.433	3.459	40	30		FGEBRN
CC(C)(C)COc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1	ZINC000409363194	570752993	/nfs/dbraw/zinc/75/29/93/570752993.db2.gz	UXHQONYTAZHNJO-UHFFFAOYSA-N	0	0	351.406	3.409	40	30		FGEBRN
CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)ccc1OC(C)C	ZINC000409358129	570753269	/nfs/dbraw/zinc/75/32/69/570753269.db2.gz	KIIFRVBOPNZNFO-UHFFFAOYSA-N	0	0	367.405	3.170	40	30		FGEBRN
COc1cc2cc(C#N)c(SCC(=O)NC(C)(C)C)nc2cc1OC	ZINC000001355175	219397952	/nfs/dbraw/zinc/39/79/52/219397952.db2.gz	TZYKYIFBHFDGKM-UHFFFAOYSA-N	0	0	359.451	3.130	40	30		FGEBRN
N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCCC3)C2)cc1	ZINC000012875103	209573240	/nfs/dbraw/zinc/57/32/40/209573240.db2.gz	HSTYGNGESHJGCV-MRXNPFEDSA-N	0	0	354.454	3.251	40	30		FGEBRN
O[C@@]1(Cn2cncn2)c2ccccc2CC[C@@]12O[C@H]2c1ccc(Cl)cc1	ZINC000005254694	207089716	/nfs/dbraw/zinc/08/97/16/207089716.db2.gz	AMIQPHHTWZOBRV-UFYCRDLUSA-N	0	0	367.836	3.276	40	30		FGEBRN
COc1ccc(/C=C2/CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC	ZINC000005846713	207119197	/nfs/dbraw/zinc/11/91/97/207119197.db2.gz	LMGMCXMLKLAHNB-PTNGSMBKSA-N	0	0	372.442	3.456	40	30		FGEBRN
COc1ccc(/C=C2/S/C(=N/c3cccc(O)c3)NC2=O)cc1OC	ZINC000011847385	207326524	/nfs/dbraw/zinc/32/65/24/207326524.db2.gz	ZPPOWUWUMGADQF-CXUHLZMHSA-N	0	0	356.403	3.301	40	30		FGEBRN
Cc1cccc(C)c1NC(=O)[C@@H]1CN(c2c(C)cccc2C)C(=O)/C1=N/O	ZINC000017176606	207612409	/nfs/dbraw/zinc/61/24/09/207612409.db2.gz	UXYTXQQYBQSZPT-PJWCADQQSA-N	0	0	365.433	3.352	40	30		FGEBRN
C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	ZINC000102683496	132235735	/nfs/dbraw/zinc/23/57/35/132235735.db2.gz	UANKCHLKDFLWDX-JYJNAYRXSA-N	0	0	363.465	3.021	40	30		FGEBRN
CN(C)c1cc[n+](-c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1	ZINC000006437320	132832727	/nfs/dbraw/zinc/83/27/27/132832727.db2.gz	KPRZGXWSEJRIHL-FQEVSTJZSA-N	0	0	358.421	3.142	40	30		FGEBRN
N#CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(Cl)cc2)C1=O	ZINC000002364960	263144872	/nfs/dbraw/zinc/14/48/72/263144872.db2.gz	ZDWVABVNEDMRQP-FQEVSTJZSA-N	0	0	368.820	3.451	40	30		FGEBRN
C=CCOc1cccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1	ZINC000408614600	263482500	/nfs/dbraw/zinc/48/25/00/263482500.db2.gz	FCOAJTSCGPBGPT-OAHLLOKOSA-N	0	0	374.462	3.045	40	30		FGEBRN
COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1OC	ZINC000408932401	263507600	/nfs/dbraw/zinc/50/76/00/263507600.db2.gz	WSWREQVGJIAKLH-KGENOOAVSA-N	0	0	356.422	3.300	40	30		FGEBRN
Cc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1C#N	ZINC000409410972	263556976	/nfs/dbraw/zinc/55/69/76/263556976.db2.gz	BPEBWEONTWYODH-UHFFFAOYSA-N	0	0	350.205	3.282	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F	ZINC000000795007	493772158	/nfs/dbraw/zinc/77/21/58/493772158.db2.gz	GWCVOIPNOZSQEZ-SJKOYZFVSA-N	0	0	371.364	3.176	40	30		FGEBRN
CCCOc1ccc(/C=N/NC(=S)NCCc2ccccc2)c(O)c1	ZINC000003438147	493845273	/nfs/dbraw/zinc/84/52/73/493845273.db2.gz	XKSPFFALLOMKEC-KGENOOAVSA-N	0	0	357.479	3.222	40	30		FGEBRN
C=CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1	ZINC000008497392	494094544	/nfs/dbraw/zinc/09/45/44/494094544.db2.gz	NXKIDPUAVRZHKH-UHFFFAOYSA-N	0	0	371.389	3.308	40	30		FGEBRN
C=CCn1cc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c(C)n1	ZINC000012187404	494211890	/nfs/dbraw/zinc/21/18/90/494211890.db2.gz	XEZQHGCBWRZQOM-IBGZPJMESA-N	0	0	369.465	3.287	40	30		FGEBRN
OC/C(I)=C/[C@@](F)(OC(F)(F)F)C(F)(F)F	ZINC000016159361	494380808	/nfs/dbraw/zinc/38/08/08/494380808.db2.gz	FXPCHKRRLLUOSG-ROHFWCKQSA-N	0	0	367.986	3.062	40	30		FGEBRN
CCCCOC1(NS(=O)(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C	ZINC000016807607	494401826	/nfs/dbraw/zinc/40/18/26/494401826.db2.gz	WLQMAFFYFARXBG-UHFFFAOYSA-N	0	0	363.479	3.262	40	30		FGEBRN
C[C@H](C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1)n1cncn1	ZINC000019079821	494434357	/nfs/dbraw/zinc/43/43/57/494434357.db2.gz	SOHAWBQJFCKUOJ-QGZVFWFLSA-N	0	0	373.460	3.258	40	30		FGEBRN
CCCOc1c(Br)cc(C=Nn2cnnc2)cc1OCC	ZINC000019594152	494452825	/nfs/dbraw/zinc/45/28/25/494452825.db2.gz	YBWAJOZVVIOLDU-UHFFFAOYSA-N	0	0	353.220	3.110	40	30		FGEBRN
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	ZINC000096229956	495007460	/nfs/dbraw/zinc/00/74/60/495007460.db2.gz	RPQYIDQBEWMYRG-HXUWFJFHSA-N	0	0	357.454	3.260	40	30		FGEBRN
COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O	ZINC000205820480	496973638	/nfs/dbraw/zinc/97/36/38/496973638.db2.gz	YWNXOABAXDBTJT-OVCLIPMQSA-N	0	0	368.370	3.028	40	30		FGEBRN
COc1ccc([C@@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218127369	497000925	/nfs/dbraw/zinc/00/09/25/497000925.db2.gz	BKBNHTNUGHKWSB-BBWFWOEESA-N	0	0	350.823	3.103	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218469903	497002819	/nfs/dbraw/zinc/00/28/19/497002819.db2.gz	XZIFXFOCGAOULE-QYZOEREBSA-N	0	0	359.422	3.312	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	ZINC000218485451	497003945	/nfs/dbraw/zinc/00/39/45/497003945.db2.gz	VPNHDICAGDPECL-KURKYZTESA-N	0	0	359.834	3.297	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1	ZINC000222456474	497024020	/nfs/dbraw/zinc/02/40/20/497024020.db2.gz	RUOCJRCVFRWAST-UHFFFAOYSA-N	0	0	374.462	3.208	40	30		FGEBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	ZINC000225656118	497070843	/nfs/dbraw/zinc/07/08/43/497070843.db2.gz	WVGMOKCEXWYOMF-AABGKKOBSA-N	0	0	355.459	3.345	40	30		FGEBRN
COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N	ZINC000225776239	497075050	/nfs/dbraw/zinc/07/50/50/497075050.db2.gz	ZFSQCPADCHROFM-UHFFFAOYSA-N	0	0	354.381	3.393	40	30		FGEBRN
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1C(=O)[C@H](CO)N(C)C1=O	ZINC000299888616	497929075	/nfs/dbraw/zinc/92/90/75/497929075.db2.gz	QNQBPPQLRODXET-PTVWODQFSA-N	0	0	373.493	3.021	40	30		FGEBRN
CC[C@H](C)Oc1ccccc1CN=Nc1ncc(F)c(N2CCOCC2)n1	ZINC000408602999	499592714	/nfs/dbraw/zinc/59/27/14/499592714.db2.gz	PNSRZFACPQRMDD-ZDXHCBJDSA-N	0	0	373.432	3.076	40	30		FGEBRN
C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CC1)C2	ZINC000585106676	507572589	/nfs/dbraw/zinc/57/25/89/507572589.db2.gz	FCLCJTLQZQZTDQ-OAQYLSRUSA-N	0	0	366.440	3.198	40	30		FGEBRN
Cc1ccc(CN2CCC[C@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)o1	ZINC000585294997	507588241	/nfs/dbraw/zinc/58/82/41/507588241.db2.gz	XSYCCLSETIJZRD-IBGZPJMESA-N	0	0	360.421	3.147	40	30		FGEBRN
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224750138	518802802	/nfs/dbraw/zinc/80/28/02/518802802.db2.gz	BPYSXGAPTFIVJS-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cccs1	ZINC000225133952	518803743	/nfs/dbraw/zinc/80/37/43/518803743.db2.gz	RSQQCONYSXJJAN-UHFFFAOYSA-N	0	0	351.449	3.224	40	30		FGEBRN
C=CCOc1ccc(C(=O)N2CCC(C(=O)c3cccnc3)CC2)cc1	ZINC000012143302	519024367	/nfs/dbraw/zinc/02/43/67/519024367.db2.gz	PQLRTGPHCVDXJW-UHFFFAOYSA-N	0	0	350.418	3.382	40	30		FGEBRN
C=CCOc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1	ZINC000038752432	519057968	/nfs/dbraw/zinc/05/79/68/519057968.db2.gz	UJIFWBVGAZVODQ-UHFFFAOYSA-N	0	0	372.446	3.179	40	30		FGEBRN
COc1ccc(CN/N=C/c2ccc(O)c(Br)c2)cc1OC	ZINC000020195702	524017666	/nfs/dbraw/zinc/01/76/66/524017666.db2.gz	ISEXWZTWCGRLMZ-GIJQJNRQSA-N	0	0	365.227	3.296	40	30		FGEBRN
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccco3)ccc2C#N)CC1	ZINC000022115471	534840946	/nfs/dbraw/zinc/84/09/46/534840946.db2.gz	ZVYYGTGFUZNCPB-UHFFFAOYSA-N	0	0	354.410	3.270	40	30		FGEBRN
COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1O	ZINC000409036921	570715435	/nfs/dbraw/zinc/71/54/35/570715435.db2.gz	MLUHASYUHVJAMQ-SDPNRITHSA-N	0	0	364.217	3.123	40	30		FGEBRN
O=C(N=C1NC(=O)/C(=C/c2ccc(O)cc2)S1)c1ccc(Cl)cc1	ZINC000409137822	570731506	/nfs/dbraw/zinc/73/15/06/570731506.db2.gz	YDXYGOFXYUIOIM-ZROIWOOFSA-N	0	0	358.806	3.446	40	30		FGEBRN
COc1ccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)cc1	ZINC000225842308	209840479	/nfs/dbraw/zinc/84/04/79/209840479.db2.gz	RTOOAUMEHHHIIB-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
Cc1nonc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N	ZINC000001354315	219398316	/nfs/dbraw/zinc/39/83/16/219398316.db2.gz	GPAUBZQVLCHTFA-UHFFFAOYSA-N	0	0	353.407	3.146	40	30		FGEBRN
COC(=O)C(O)=CC(=O)c1ccc(Br)c(Br)c1	ZINC000100965750	209220817	/nfs/dbraw/zinc/22/08/17/209220817.db2.gz	WAIZXFRISFDKKR-YHYXMXQVSA-N	0	0	363.989	3.009	40	30		FGEBRN
C=CCOc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	ZINC000218283155	206761369	/nfs/dbraw/zinc/76/13/69/206761369.db2.gz	GHLNUCBGNDSINI-OAHLLOKOSA-N	0	0	374.462	3.045	40	30		FGEBRN
COc1ccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1	ZINC000004198931	207006987	/nfs/dbraw/zinc/00/69/87/207006987.db2.gz	ZPXPMXLZTDRJBW-GJJHYRHESA-N	0	0	362.389	3.204	40	30		FGEBRN
CCc1ccc(S(=O)(=O)/N=C2/S[C@H](C)C(=O)N2c2ccccc2)cc1	ZINC000004538105	207027095	/nfs/dbraw/zinc/02/70/95/207027095.db2.gz	MDXLYKCNRPGZDS-NIVDNSEKSA-N	0	0	374.487	3.462	40	30		FGEBRN
COc1ccc([C@@]2(C)NC(=O)N(N=Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000008408068	207232556	/nfs/dbraw/zinc/23/25/56/207232556.db2.gz	NFDWZYQMRLMDSZ-JLWFYQMASA-N	0	0	357.797	3.150	40	30		FGEBRN
CCCOc1c(Br)cc(/C=N\n2cnnc2)cc1OCC	ZINC000036476556	208164092	/nfs/dbraw/zinc/16/40/92/208164092.db2.gz	YBWAJOZVVIOLDU-LSCVHKIXSA-N	0	0	353.220	3.110	40	30		FGEBRN
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1	ZINC000070462100	132302662	/nfs/dbraw/zinc/30/26/62/132302662.db2.gz	AIDRTUYBBYIOSA-UHFFFAOYSA-N	0	0	362.477	3.400	40	30		FGEBRN
C=CCN(c1ccc(C(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O	ZINC000013669401	132306679	/nfs/dbraw/zinc/30/66/79/132306679.db2.gz	PXEALYXNZRMGIG-UHFFFAOYSA-N	0	0	370.474	3.232	40	30		FGEBRN
COC(=O)Cn1c(C)c(/C=N/NCc2ccccc2OC)c2ccccc21	ZINC000020763609	263383068	/nfs/dbraw/zinc/38/30/68/263383068.db2.gz	ONEVZEXBKDTJII-YDZHTSKRSA-N	0	0	365.433	3.255	40	30		FGEBRN
C=CC/N=c1/sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1CC=C	ZINC000002728060	493817441	/nfs/dbraw/zinc/81/74/41/493817441.db2.gz	TWSYFNYVFYVPPN-HTXNQAPBSA-N	0	0	361.854	3.088	40	30		FGEBRN
Cc1ccc(S(=O)(=O)O[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1	ZINC000005059930	493911996	/nfs/dbraw/zinc/91/19/96/493911996.db2.gz	HJGRODODJPAHKG-QGZVFWFLSA-N	0	0	359.447	3.005	40	30		FGEBRN
COc1cc(CN=Nc2nc(C)cc(C)n2)cc(Br)c1OC	ZINC000005680564	493939481	/nfs/dbraw/zinc/93/94/81/493939481.db2.gz	BWPOSZHYTMVXDK-CAOOACKPSA-N	0	0	365.231	3.319	40	30		FGEBRN
C=CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(COC)nn2c1C	ZINC000040372728	494141548	/nfs/dbraw/zinc/14/15/48/494141548.db2.gz	OBECLHVGPPIXQU-UHFFFAOYSA-N	0	0	372.812	3.242	40	30		FGEBRN
C=CCn1ncc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1C	ZINC000012187410	494212056	/nfs/dbraw/zinc/21/20/56/494212056.db2.gz	AVJAGZDFVRVQON-LJQANCHMSA-N	0	0	369.465	3.287	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	ZINC000044884995	494385759	/nfs/dbraw/zinc/38/57/59/494385759.db2.gz	YPKYDJUMSCLZEV-UHFFFAOYSA-N	0	0	364.854	3.365	40	30		FGEBRN
C=CCCC(=O)N1CCC2(CCC(=O)N(Cc3cccc(C)n3)C2)CC1	ZINC000108533362	494731316	/nfs/dbraw/zinc/73/13/16/494731316.db2.gz	TWBOIFJAYUQIGF-UHFFFAOYSA-N	0	0	355.482	3.087	40	30		FGEBRN
Cc1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4cc(C#N)ccc4[nH]3)C2)cc1	ZINC000096112289	495001881	/nfs/dbraw/zinc/00/18/81/495001881.db2.gz	DGCZCGAILSKXPA-XLIONFOSSA-N	0	0	364.424	3.482	40	30	biogenic,in-vitro	FGEBRN
C=CCOC[C@@H]1C[C@H]2OCCN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1	ZINC000096250465	495008446	/nfs/dbraw/zinc/00/84/46/495008446.db2.gz	KBKQAEYDAQDQLY-CWFSZBLJSA-N	0	0	352.434	3.057	40	30		FGEBRN
CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218043610	497000221	/nfs/dbraw/zinc/00/02/21/497000221.db2.gz	KHUFKDXTQUJARO-HBFSDRIKSA-N	0	0	369.442	3.008	40	30		FGEBRN
N#C[C@@]1(C=O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218640820	497004773	/nfs/dbraw/zinc/00/47/73/497004773.db2.gz	VKISBDCRJLMINS-IXDOHACOSA-N	0	0	363.797	3.128	40	30		FGEBRN
N#C[C@]1(C=O)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000225667455	497070801	/nfs/dbraw/zinc/07/08/01/497070801.db2.gz	VKISBDCRJLMINS-ULQDDVLXSA-N	0	0	363.797	3.128	40	30		FGEBRN
N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)N1CCCCC1	ZINC000225858144	497077243	/nfs/dbraw/zinc/07/72/43/497077243.db2.gz	FINZXHABPNVBJO-UHFFFAOYSA-N	0	0	356.857	3.199	40	30		FGEBRN
Cc1ccc(C)c(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1	ZINC000256048562	497382588	/nfs/dbraw/zinc/38/25/88/497382588.db2.gz	UKALUJZNOOFKRA-UHFFFAOYSA-N	0	0	372.476	3.078	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@H](C)C2)n1	ZINC000260707882	497406345	/nfs/dbraw/zinc/40/63/45/497406345.db2.gz	CIIMUIIGBZGREF-HNNXBMFYSA-N	0	0	374.558	3.176	40	30		FGEBRN
COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1	ZINC000408660491	499593558	/nfs/dbraw/zinc/59/35/58/499593558.db2.gz	QDQRYHWQTTXOSQ-UHFFFAOYSA-N	0	0	366.402	3.348	40	30		FGEBRN
CCCCCCCCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O	ZINC000101463656	520027920	/nfs/dbraw/zinc/02/79/20/520027920.db2.gz	FFWANZYEJSTXBT-UHFFFAOYSA-N	0	0	360.458	3.390	40	30		FGEBRN
CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccccc2F)nc1	ZINC000008128648	520798105	/nfs/dbraw/zinc/79/81/05/520798105.db2.gz	BGNMCAHFBDCVRQ-DEDYPNTBSA-N	0	0	364.446	3.087	40	30		FGEBRN
COc1ccc(CCNC(=S)Nc2ccc(CC#N)cc2)cc1OC	ZINC000225316216	523974081	/nfs/dbraw/zinc/97/40/81/523974081.db2.gz	CNMFBDCYXYNMDF-UHFFFAOYSA-N	0	0	355.463	3.299	40	30		FGEBRN
COc1ccc(CN/N=C/c2cc(Cl)c(OC)cc2OC)cc1OC	ZINC000020196164	524017699	/nfs/dbraw/zinc/01/76/99/524017699.db2.gz	QTIWSDWYGZGCDP-SRZZPIQSSA-N	0	0	364.829	3.498	40	30		FGEBRN
CCOC(=O)COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000409084290	570720090	/nfs/dbraw/zinc/72/00/90/570720090.db2.gz	AYPIJYWXGYLGDJ-LSFURLLWSA-N	0	0	367.327	3.488	40	30		FGEBRN
C=CCc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(OC)c1O	ZINC000409214084	570741388	/nfs/dbraw/zinc/74/13/88/570741388.db2.gz	XVNFRBXDNINWHK-JJFYIABZSA-N	0	0	366.421	3.297	40	30		FGEBRN
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1	ZINC000409316123	570749943	/nfs/dbraw/zinc/74/99/43/570749943.db2.gz	LAHQIDCJEUNHFU-UHFFFAOYSA-N	0	0	371.238	3.389	40	30		FGEBRN
Cc1cc(C)n(CC(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c1C#N	ZINC000409412335	571319545	/nfs/dbraw/zinc/31/95/45/571319545.db2.gz	JVBQOVMEJCBAPG-UHFFFAOYSA-N	0	0	364.430	3.099	40	30		FGEBRN
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000019088007	209607455	/nfs/dbraw/zinc/60/74/55/209607455.db2.gz	XCKLQAQILIQCIB-IBGZPJMESA-N	0	0	361.401	3.090	40	30		FGEBRN
COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000002766977	209493546	/nfs/dbraw/zinc/49/35/46/209493546.db2.gz	IOIUVYPKYYZLFL-UHFFFAOYSA-N	0	0	361.195	3.347	40	30		FGEBRN
Cc1c(/C=N/N2CCOCC2)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000006684022	209453252	/nfs/dbraw/zinc/45/32/52/209453252.db2.gz	KDSBZSKQRJZTIK-OEAKJJBVSA-N	0	0	365.408	3.284	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1	ZINC000000794985	209375941	/nfs/dbraw/zinc/37/59/41/209375941.db2.gz	YZOZYNJBZKFQDH-PBHICJAKSA-N	0	0	353.374	3.037	40	30		FGEBRN
COC(=O)C12c3ccccc3C(c3ccccc31)C1=C2/C(=N/O)C=C/C1=N\O	ZINC000104138805	209257586	/nfs/dbraw/zinc/25/75/86/209257586.db2.gz	COGVHCBSLOMBFL-WPHIWBHXSA-N	0	0	372.380	3.131	40	30		FGEBRN
O=c1c2cn[nH]c2[nH]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000102986204	209245151	/nfs/dbraw/zinc/24/51/51/209245151.db2.gz	GHXSOKVBPRVLBQ-UWSDUSPXSA-N	0	0	374.360	3.144	40	30		FGEBRN
Cc1ccc(S(=O)(=O)/N=C(/N=C2C=CC(=O)C=C2)c2ccccc2)cc1	ZINC000004167588	207004253	/nfs/dbraw/zinc/00/42/53/207004253.db2.gz	ALGDHZCKMQKCTK-LSDHQDQOSA-N	0	0	364.426	3.267	40	30		FGEBRN
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccc(F)cc1)O3	ZINC000004452357	207019271	/nfs/dbraw/zinc/01/92/71/207019271.db2.gz	ZAHTUSMPCRFEFD-RGCFKVTRSA-N	0	0	350.353	3.335	40	30		FGEBRN
COc1ccc([C@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2[C@H]3O)cc1	ZINC000004775919	207048211	/nfs/dbraw/zinc/04/82/11/207048211.db2.gz	SMSNOVVIVRBCOU-XRXFAXGQSA-N	0	0	370.401	3.278	40	30		FGEBRN
COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1	ZINC000006032850	207126087	/nfs/dbraw/zinc/12/60/87/207126087.db2.gz	NBXUPSZCJXZRSP-ODLFYWEKSA-N	0	0	354.435	3.442	40	30		FGEBRN
CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](C)C(=O)N2c2ccccc2)cc1	ZINC000006359206	207138356	/nfs/dbraw/zinc/13/83/56/207138356.db2.gz	MDXLYKCNRPGZDS-HVCBDAARSA-N	0	0	374.487	3.462	40	30		FGEBRN
COc1c(O)cc(CN=Nc2nc(C)cc(C)n2)cc1Br	ZINC000008306369	207227363	/nfs/dbraw/zinc/22/73/63/207227363.db2.gz	PULVQWHHMBJNAU-FRKPEAEDSA-N	0	0	351.204	3.016	40	30		FGEBRN
C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1	ZINC000222764334	208944629	/nfs/dbraw/zinc/94/46/29/208944629.db2.gz	UDFLFHQWEOPYGA-GOSISDBHSA-N	0	0	350.462	3.339	40	30		FGEBRN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000024212825	132374061	/nfs/dbraw/zinc/37/40/61/132374061.db2.gz	TXBUZDVLCQDIGC-UHFFFAOYSA-N	0	0	370.796	3.082	40	30		FGEBRN
CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000408732764	263492042	/nfs/dbraw/zinc/49/20/42/263492042.db2.gz	YNIZAIQRLXMFAX-MRXNPFEDSA-N	0	0	357.391	3.487	40	30		FGEBRN
Fc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCOCC1	ZINC000409123510	263529967	/nfs/dbraw/zinc/52/99/67/263529967.db2.gz	CHNVYUMRAHKIAN-XQNSMLJCSA-N	0	0	369.440	3.250	40	30		FGEBRN
C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OCC)c1OCC	ZINC000409130581	263530917	/nfs/dbraw/zinc/53/09/17/263530917.db2.gz	ICJBRKAGMNEXSI-FOWTUZBSSA-N	0	0	356.422	3.291	40	30		FGEBRN
C[C@]12CC[C@@H]3C[C@@]1(C#N)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@@]32C	ZINC000002666410	493815008	/nfs/dbraw/zinc/81/50/08/493815008.db2.gz	IBOQWGXLOPOUKM-IUHNQTRMSA-N	0	0	370.365	3.047	40	30		FGEBRN
C#CCOc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC	ZINC000005016774	493908013	/nfs/dbraw/zinc/90/80/13/493908013.db2.gz	XILJPEVYKVJFOD-LFIBNONCSA-N	0	0	351.333	3.191	40	30		FGEBRN
Cc1cccc(NC(=S)N/N=C/c2ccc(N(C)CCO)cc2)c1C	ZINC000006547399	493967128	/nfs/dbraw/zinc/96/71/28/493967128.db2.gz	YMLZBHRATDJHIZ-DEDYPNTBSA-N	0	0	356.495	3.052	40	30		FGEBRN
COc1ccc(-n2c(C)cc(C=NN3C(=O)CSC3=S)c2C)cc1	ZINC000006961790	493990086	/nfs/dbraw/zinc/99/00/86/493990086.db2.gz	DPAKIXCMCPKFCS-GIJQJNRQSA-N	0	0	359.476	3.297	40	30		FGEBRN
COc1ccc(/C(C)=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000007039787	493995914	/nfs/dbraw/zinc/99/59/14/493995914.db2.gz	KTNDUIIYMLAHJJ-YBFXNURJSA-N	0	0	374.422	3.323	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2ccccc2C)c(OC)c1	ZINC000007602035	494029695	/nfs/dbraw/zinc/02/96/95/494029695.db2.gz	KJRXBUMICMEEHY-UHFFFAOYSA-N	0	0	365.437	3.367	40	30		FGEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cc(OC)cc(OC)c1	ZINC000008267824	494080525	/nfs/dbraw/zinc/08/05/25/494080525.db2.gz	PEVYQVQXOQLOCS-LCDJAWGCSA-N	0	0	371.389	3.445	40	30		FGEBRN
C=CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3cccs3)n2)CC1	ZINC000072336736	494153584	/nfs/dbraw/zinc/15/35/84/494153584.db2.gz	QHHLNGJPGSJTAF-UHFFFAOYSA-N	0	0	367.478	3.477	40	30		FGEBRN
COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccccc2OC)cc1	ZINC000066091546	494275301	/nfs/dbraw/zinc/27/53/01/494275301.db2.gz	MTOYTMBGKOEARK-GOSISDBHSA-N	0	0	353.374	3.193	40	30		FGEBRN
Cc1nnc(SCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)s1	ZINC000014163622	494308139	/nfs/dbraw/zinc/30/81/39/494308139.db2.gz	FEPHUNROTSZBLB-UHFFFAOYSA-N	0	0	353.432	3.105	40	30		FGEBRN
CC(=O)O[C@@]1(C)C=Cc2ccccc2/C1=N/S(=O)(=O)c1ccccc1	ZINC000016955580	494403430	/nfs/dbraw/zinc/40/34/30/494403430.db2.gz	IYGVTMMSYMSKCH-HQMFNGAOSA-N	0	0	355.415	3.213	40	30		FGEBRN
CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@H](C)CC1=N2	ZINC000022608315	494528509	/nfs/dbraw/zinc/52/85/09/494528509.db2.gz	GHOHWLMGXIHTGN-DIFFPNOSSA-N	0	0	369.494	3.334	40	30		FGEBRN
N#Cc1ccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1	ZINC000067897863	494687656	/nfs/dbraw/zinc/68/76/56/494687656.db2.gz	XQENQFJJYSIVMI-UHFFFAOYSA-N	0	0	363.392	3.454	40	30	biogenic,in-vitro	FGEBRN
N#Cc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1	ZINC000096112280	495001780	/nfs/dbraw/zinc/00/17/80/495001780.db2.gz	UPBJQGTVIHBEDU-APWZRJJASA-N	0	0	350.397	3.174	40	30	biogenic,in-vitro	FGEBRN
C=CCOC[C@@H]1C[C@H]2OCCN(C(=O)c3ccc4ncccc4c3)[C@H]2C1	ZINC000096250467	495008888	/nfs/dbraw/zinc/00/88/88/495008888.db2.gz	KBKQAEYDAQDQLY-RYGJVYDSSA-N	0	0	352.434	3.057	40	30		FGEBRN
COc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	ZINC000100349914	495064803	/nfs/dbraw/zinc/06/48/03/495064803.db2.gz	NAGSBXOYHOIUCQ-CWGWECIMSA-N	0	0	368.433	3.120	40	30		FGEBRN
CCCC(NC)=C1C(=O)C[C@H](C[C@@H](C)SCC)[C@@H](C(=O)OCC)C1=O	ZINC000104423955	495283812	/nfs/dbraw/zinc/28/38/12/495283812.db2.gz	GDYKIPWWXDATPK-POYNUWCTSA-N	0	0	369.527	3.129	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218056357	497000006	/nfs/dbraw/zinc/00/00/06/497000006.db2.gz	WOPVTRZZWMQKRO-OKZBNKHCSA-N	0	0	361.850	3.436	40	30		FGEBRN
N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218441661	497002277	/nfs/dbraw/zinc/00/22/77/497002277.db2.gz	GTCSQDMZECGCNI-JKSUJKDBSA-N	0	0	360.797	3.452	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218489928	497003815	/nfs/dbraw/zinc/00/38/15/497003815.db2.gz	GLBVMFYOFSNHPH-SQNIBIBYSA-N	0	0	359.834	3.297	40	30		FGEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@@H]2C)c1	ZINC000225859131	497077415	/nfs/dbraw/zinc/07/74/15/497077415.db2.gz	SUHWAXCTAFHHTR-INIZCTEOSA-N	0	0	350.466	3.242	40	30		FGEBRN
C=CCN(c1ccc(C(=O)NC2CCCCCCC2)cc1)S(C)(=O)=O	ZINC000408629879	499593371	/nfs/dbraw/zinc/59/33/71/499593371.db2.gz	JPOPQOKYQDUXGX-UHFFFAOYSA-N	0	0	364.511	3.481	40	30		FGEBRN
O=c1nc(NN=Cc2ccccc2O)n(-c2ccccc2)c2ccccc12	ZINC000408730448	499594529	/nfs/dbraw/zinc/59/45/29/499594529.db2.gz	GKFGQXBVNCFOAW-HYARGMPZSA-N	0	0	356.385	3.372	40	30		FGEBRN
CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000408732763	499594632	/nfs/dbraw/zinc/59/46/32/499594632.db2.gz	YNIZAIQRLXMFAX-INIZCTEOSA-N	0	0	357.391	3.487	40	30		FGEBRN
C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)OCC	ZINC000408814513	499595113	/nfs/dbraw/zinc/59/51/13/499595113.db2.gz	HDZGFOQDJGNREV-GDNBJRDFSA-N	0	0	361.419	3.023	40	30		FGEBRN
CN1C(=O)S/C(=C\c2ccc(OCC#N)c(Br)c2)C1=O	ZINC000408810118	499595310	/nfs/dbraw/zinc/59/53/10/499595310.db2.gz	IXLQZHASKHJVRV-XFFZJAGNSA-N	0	0	353.197	3.018	40	30		FGEBRN
CCN1C(=O)C(=Cc2ccccc2OCc2ccccc2C#N)NC1=S	ZINC000409008199	499595408	/nfs/dbraw/zinc/59/54/08/499595408.db2.gz	WJECKIHHHWGDGN-BOPFTXTBSA-N	0	0	363.442	3.215	40	30		FGEBRN
O=S(=O)(Oc1ccc(/C=N/O)cc1Br)c1ccccc1	ZINC000409066374	499595812	/nfs/dbraw/zinc/59/58/12/499595812.db2.gz	OKCMNXTVKMEPQT-OQLLNIDSSA-N	0	0	356.197	3.025	40	30		FGEBRN
Cc1ccccc1C(=O)N1CC[C@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1	ZINC000585101592	507568533	/nfs/dbraw/zinc/56/85/33/507568533.db2.gz	JCUOJHHYOFWYRI-QFIPXVFZSA-N	0	0	359.429	3.136	40	30		FGEBRN
C=CCN(CC=C)C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O	ZINC000253409261	518767040	/nfs/dbraw/zinc/76/70/40/518767040.db2.gz	ZWGVSECRMRQCPB-ZDUSSCGKSA-N	0	0	372.421	3.226	40	30	biogenic,in-vitro	FGEBRN
C=CCOc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1	ZINC000223822959	519058546	/nfs/dbraw/zinc/05/85/46/519058546.db2.gz	DLJMGIASEWIVFJ-UHFFFAOYSA-N	0	0	361.419	3.147	40	30		FGEBRN
COc1ccc(CN/N=C/c2cc(OC)c(OC)cc2Cl)cc1OC	ZINC000020196162	524018122	/nfs/dbraw/zinc/01/81/22/524018122.db2.gz	BJYBFEHGIDSSSG-SRZZPIQSSA-N	0	0	364.829	3.498	40	30		FGEBRN
COc1cc(C=NN2C(=S)N=NC2C)ccc1OCc1cccc(F)c1	ZINC000408879278	570694054	/nfs/dbraw/zinc/69/40/54/570694054.db2.gz	DRAMZWAGIGPZDY-KEBDBYFISA-N	0	0	372.425	3.484	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1Cl	ZINC000409235271	570745008	/nfs/dbraw/zinc/74/50/08/570745008.db2.gz	OMKJSINGSHQGHL-UKTHLTGXSA-N	0	0	353.205	3.308	40	30		FGEBRN
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1Cc1ccccc1	ZINC000409352055	570752690	/nfs/dbraw/zinc/75/26/90/570752690.db2.gz	YHEHTWYQCIOMHR-UHFFFAOYSA-N	0	0	372.428	3.451	40	30		FGEBRN
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1	ZINC000409380769	570755446	/nfs/dbraw/zinc/75/54/46/570755446.db2.gz	HVKZQBNMAKTIEJ-UHFFFAOYSA-N	0	0	358.463	3.328	40	30		FGEBRN
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1	ZINC000004124042	219546601	/nfs/dbraw/zinc/54/66/01/219546601.db2.gz	YXMDIQCDLJBXNR-QYISXJNESA-N	0	0	351.450	3.064	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000000794988	209376035	/nfs/dbraw/zinc/37/60/35/209376035.db2.gz	YZOZYNJBZKFQDH-WMLDXEAASA-N	0	0	353.374	3.037	40	30		FGEBRN
C=CCN(c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O	ZINC000223923823	209342633	/nfs/dbraw/zinc/34/26/33/209342633.db2.gz	CNYXHRVCKATWDY-MRXNPFEDSA-N	0	0	372.490	3.172	40	30		FGEBRN
Cc1cccc(C)c1NC(=O)[C@H]1CN(c2c(C)cccc2C)C(=O)/C1=N\O	ZINC000104274231	209259813	/nfs/dbraw/zinc/25/98/13/209259813.db2.gz	UXYTXQQYBQSZPT-CYMZXICGSA-N	0	0	365.433	3.352	40	30		FGEBRN
CCSc1nc2n(n1)[C@H](c1ccccn1)C1C(=O)CC(C)(C)CC1=N2	ZINC000006134504	207130483	/nfs/dbraw/zinc/13/04/83/207130483.db2.gz	VIGFKJYQZINLMH-OAHLLOKOSA-N	0	0	355.467	3.443	40	30		FGEBRN
N#Cc1cc2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3	ZINC000035312127	207131085	/nfs/dbraw/zinc/13/10/85/207131085.db2.gz	FLQHTWLZJJUJGI-UHFFFAOYSA-N	0	0	369.446	3.376	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N/N=C2/CCCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000006674315	207154718	/nfs/dbraw/zinc/15/47/18/207154718.db2.gz	JEWLXGQQPYKPEU-ZPHPHTNESA-N	0	0	373.434	3.312	40	30		FGEBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2cccc3ccccc23)cc1	ZINC000008603196	207237430	/nfs/dbraw/zinc/23/74/30/207237430.db2.gz	DFHXBZFYJLGTFU-PDGQHHTCSA-N	0	0	355.375	3.060	40	30		FGEBRN
CCOc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1OC	ZINC000002631825	263325771	/nfs/dbraw/zinc/32/57/71/263325771.db2.gz	SOBQWPZEABXKHE-XDHOZWIPSA-N	0	0	362.451	3.023	40	30		FGEBRN
Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Nc2cccc(Cl)c2)n1	ZINC000017075519	263372306	/nfs/dbraw/zinc/37/23/06/263372306.db2.gz	YRYDWMMGNNTNMV-UHFFFAOYSA-N	0	0	367.800	3.448	40	30		FGEBRN
C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2)C=C1C	ZINC000030881438	263390980	/nfs/dbraw/zinc/39/09/80/263390980.db2.gz	YXAKTOTYMULXBG-ACRUOGEOSA-N	0	0	366.505	3.411	40	30	biogenic,in-vitro	FGEBRN
C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1O	ZINC000409235957	263544379	/nfs/dbraw/zinc/54/43/79/263544379.db2.gz	QUSSXNGHIZGQQJ-GZTJUZNOSA-N	0	0	364.401	3.222	40	30		FGEBRN
CCCOc1ccc(C=NN2C(=O)CSC2=S)cc1Br	ZINC000409346754	263550324	/nfs/dbraw/zinc/55/03/24/263550324.db2.gz	LFXMKDVIOLMDFK-VIZOYTHASA-N	0	0	373.297	3.432	40	30		FGEBRN
N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1	ZINC000000598425	493765899	/nfs/dbraw/zinc/76/58/99/493765899.db2.gz	GGPPBTSXFROGAE-UHFFFAOYSA-N	0	0	354.211	3.382	40	30	in-vitro	FGEBRN
COCc1cc(C)nc(NN=Cc2cc([N+](=O)[O-])ccc2Cl)c1C#N	ZINC000005587400	493936171	/nfs/dbraw/zinc/93/61/71/493936171.db2.gz	MOQGNBONBGZUEY-UWVJOHFNSA-N	0	0	359.773	3.416	40	30		FGEBRN
COc1ccc([C@H](C#N)NCCCN[C@@H](C#N)c2ccc(OC)cc2)cc1	ZINC000031659241	493954359	/nfs/dbraw/zinc/95/43/59/493954359.db2.gz	FKRDCLMTLCIITA-SFTDATJTSA-N	0	0	364.449	3.103	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1	ZINC000006349353	493960109	/nfs/dbraw/zinc/96/01/09/493960109.db2.gz	RWSZEWGCHQSXLU-CIAFOILYSA-N	0	0	357.479	3.401	40	30		FGEBRN
CCNC(=S)N/N=C/c1cccn1-c1ccc(Br)cc1	ZINC000006570035	493968091	/nfs/dbraw/zinc/96/80/91/493968091.db2.gz	XKLYPKNGSMDZEQ-LICLKQGHSA-N	0	0	351.273	3.058	40	30		FGEBRN
C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccc(F)cc1	ZINC000007601828	494029427	/nfs/dbraw/zinc/02/94/27/494029427.db2.gz	UWNHEHYCWBPLTC-UHFFFAOYSA-N	0	0	369.400	3.198	40	30		FGEBRN
C=C(C)CN1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1	ZINC000019016189	494434881	/nfs/dbraw/zinc/43/48/81/494434881.db2.gz	JPUSYNYBQCTWLO-UHFFFAOYSA-N	0	0	373.460	3.026	40	30		FGEBRN
Cc1nc(NC2=NCN([C@@H]3CCC[C@H](C)[C@H]3C)CN2)nc2ccccc12	ZINC000019332585	494442650	/nfs/dbraw/zinc/44/26/50/494442650.db2.gz	HSZAZYDQEZJAEE-PMUMKWKESA-N	0	0	352.486	3.160	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218093650	497000264	/nfs/dbraw/zinc/00/02/64/497000264.db2.gz	OSDRMGRTSKWCQG-SLFFLAALSA-N	0	0	371.458	3.181	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218450144	497002900	/nfs/dbraw/zinc/00/29/00/497002900.db2.gz	STTNTPUHXVNITG-FHWLQOOXSA-N	0	0	359.422	3.230	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218489987	497003759	/nfs/dbraw/zinc/00/37/59/497003759.db2.gz	GLBVMFYOFSNHPH-KSZLIROESA-N	0	0	359.834	3.297	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1	ZINC000252515264	497309197	/nfs/dbraw/zinc/30/91/97/497309197.db2.gz	ICBYPOBNMXLKFT-GUDVDZBRSA-N	0	0	359.422	3.230	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	ZINC000252516488	497309374	/nfs/dbraw/zinc/30/93/74/497309374.db2.gz	STTNTPUHXVNITG-GUDVDZBRSA-N	0	0	359.422	3.230	40	30		FGEBRN
N#C[C@@]1(C=O)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1	ZINC000242688197	497355113	/nfs/dbraw/zinc/35/51/13/497355113.db2.gz	VKISBDCRJLMINS-ZACQAIPSSA-N	0	0	363.797	3.128	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	ZINC000242688414	497355591	/nfs/dbraw/zinc/35/55/91/497355591.db2.gz	VPNHDICAGDPECL-KZNAEPCWSA-N	0	0	359.834	3.297	40	30		FGEBRN
NC(=S)N/N=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1	ZINC000408735563	499594569	/nfs/dbraw/zinc/59/45/69/499594569.db2.gz	SSYLEBGGYTZLTC-IFRROFPPSA-N	0	0	369.780	3.005	40	30		FGEBRN
C/N=C1/S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)N1C	ZINC000408929361	499595535	/nfs/dbraw/zinc/59/55/35/499595535.db2.gz	JBWBIPDCTXAQPO-YYWHJSAJSA-N	0	0	356.403	3.265	40	30		FGEBRN
C/N=C1/S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C	ZINC000408929034	499595614	/nfs/dbraw/zinc/59/56/14/499595614.db2.gz	GNUOQBGRXCURLZ-VLBNXZJUSA-N	0	0	350.241	3.462	40	30		FGEBRN
C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CC1)C2	ZINC000585106675	507572847	/nfs/dbraw/zinc/57/28/47/507572847.db2.gz	FCLCJTLQZQZTDQ-NRFANRHFSA-N	0	0	366.440	3.198	40	30		FGEBRN
C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(F)cc1	ZINC000224910298	518805809	/nfs/dbraw/zinc/80/58/09/518805809.db2.gz	UCAYQWHSBTUCGP-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000224909313	518808443	/nfs/dbraw/zinc/80/84/43/518808443.db2.gz	LIDDORFECCRACO-UHFFFAOYSA-N	0	0	363.410	3.384	40	30		FGEBRN
C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O	ZINC000223188875	518926116	/nfs/dbraw/zinc/92/61/16/518926116.db2.gz	UMGUTRGPVPIEEV-FQEVSTJZSA-N	0	0	354.425	3.088	40	30		FGEBRN
C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC	ZINC000223192709	518926403	/nfs/dbraw/zinc/92/64/03/518926403.db2.gz	SIRCRQAKKXYMIA-FQEVSTJZSA-N	0	0	368.452	3.478	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1	ZINC000038855796	518941239	/nfs/dbraw/zinc/94/12/39/518941239.db2.gz	UYXLWKKDYPUBDY-UHFFFAOYSA-N	0	0	360.417	3.100	40	30		FGEBRN
CC(=O)C(=NOC(=O)Nc1cccc(Cl)c1)C(=O)N1CCCCCC1	ZINC000005631582	519354535	/nfs/dbraw/zinc/35/45/35/519354535.db2.gz	UPUCLOXAAMMIGA-HMMYKYKNSA-N	0	0	365.817	3.236	40	30		FGEBRN
N#CC(=CNNC(=S)NN=C[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000008615989	526504230	/nfs/dbraw/zinc/50/42/30/526504230.db2.gz	UWZJEMIGAXVKBG-KJTAENNLSA-N	0	0	360.446	3.037	40	30		FGEBRN
NS(=O)(=O)c1ccc(NC=CC(=O)c2cccc3ccccc32)cc1	ZINC000005448842	527314868	/nfs/dbraw/zinc/31/48/68/527314868.db2.gz	KLAQUVAFVVCBIM-SEYXRHQNSA-N	0	0	352.415	3.296	40	30		FGEBRN
C=CCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)NC1=S	ZINC000408901030	570695919	/nfs/dbraw/zinc/69/59/19/570695919.db2.gz	BPQJZVGWAVFASS-XNTDXEJSSA-N	0	0	353.447	3.035	40	30		FGEBRN
C/N=C1/S/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)N1C	ZINC000408930082	570700345	/nfs/dbraw/zinc/70/03/45/570700345.db2.gz	RVRQOCPOIGFVFG-LUOFJIKJSA-N	0	0	354.273	3.047	40	30		FGEBRN
COc1cc(OC)c(OC)cc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000408931101	570700850	/nfs/dbraw/zinc/70/08/50/570700850.db2.gz	HEPQINROMHTGCN-KGENOOAVSA-N	0	0	356.422	3.300	40	30		FGEBRN
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(CC)s2)C1=O	ZINC000409088727	570721585	/nfs/dbraw/zinc/72/15/85/570721585.db2.gz	XRPRDXFYEBVRSR-XFXZXTDPSA-N	0	0	365.476	3.268	40	30		FGEBRN
COc1cc(N2CCCCC2)ccc1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000409240639	570743671	/nfs/dbraw/zinc/74/36/71/570743671.db2.gz	USHUXBBATPBINI-UDWIEESQSA-N	0	0	355.398	3.435	40	30		FGEBRN
CCOc1cc(C=NN2C(=O)CSC2=S)ccc1O[C@@H](C)CC	ZINC000409346794	570752185	/nfs/dbraw/zinc/75/21/85/570752185.db2.gz	OOXSMDCMWDLPAN-PKSBALPTSA-N	0	0	352.481	3.457	40	30		FGEBRN
C#CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC	ZINC000409369364	570753874	/nfs/dbraw/zinc/75/38/74/570753874.db2.gz	BNMWNQYFIZLGOR-BKUYFWCQSA-N	0	0	352.390	3.005	40	30		FGEBRN
Cc1cccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCC4)C2=O)c1	ZINC000261526745	210007024	/nfs/dbraw/zinc/00/70/24/210007024.db2.gz	IOOJCYWXRZISTP-QGZVFWFLSA-N	0	0	363.442	3.175	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218391556	209666577	/nfs/dbraw/zinc/66/65/77/209666577.db2.gz	BKQLFPNIVKCSPT-OKZBNKHCSA-N	0	0	361.850	3.436	40	30		FGEBRN
C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O	ZINC000223540356	209208999	/nfs/dbraw/zinc/20/89/99/209208999.db2.gz	CHIXHXTWDSSSMF-HXUWFJFHSA-N	0	0	352.434	3.087	40	30		FGEBRN
C=CCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1	ZINC000223409711	209196544	/nfs/dbraw/zinc/19/65/44/209196544.db2.gz	QKHGBPHXJPQBQW-UHFFFAOYSA-N	0	0	360.435	3.180	40	30		FGEBRN
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(COC(C)=O)[C@H]1C[C@@H]3O	ZINC000005037517	206709121	/nfs/dbraw/zinc/70/91/21/206709121.db2.gz	FOSUPIBQARPELG-AXAOMFGGSA-N	0	0	362.510	3.460	40	30	biogenic,in-vitro	FGEBRN
CC1=CC(=O)[C@]2(C)[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@H]2S1(=O)=O	ZINC000004690293	207039533	/nfs/dbraw/zinc/03/95/33/207039533.db2.gz	HIZIVFAFGQVLQJ-SWHZVCJCSA-N	0	0	362.491	3.378	40	30		FGEBRN
O=S1(=O)OC2(c3ccccc31)c1ccc(O)cc1Oc1cc(O)ccc12	ZINC000005934739	207123373	/nfs/dbraw/zinc/12/33/73/207123373.db2.gz	VJYGFSGAAOVTLC-UHFFFAOYSA-N	0	0	368.366	3.214	40	30		FGEBRN
COc1ccc(/C=C2\CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC	ZINC000031895402	208019440	/nfs/dbraw/zinc/01/94/40/208019440.db2.gz	LMGMCXMLKLAHNB-RVDMUPIBSA-N	0	0	372.442	3.456	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1	ZINC000225923922	132250073	/nfs/dbraw/zinc/25/00/73/132250073.db2.gz	TWBLPMRNQIWRPJ-HUUCEWRRSA-N	0	0	374.558	3.032	40	30		FGEBRN
C/N=C1/S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N1C	ZINC000408930614	263507521	/nfs/dbraw/zinc/50/75/21/263507521.db2.gz	ZLPBDSFUECPWQJ-BFFSTQLKSA-N	0	0	369.446	3.355	40	30		FGEBRN
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(C)s2)C1=O	ZINC000409082046	263522990	/nfs/dbraw/zinc/52/29/90/263522990.db2.gz	QXGZCRRXBOUYSC-FLIBITNWSA-N	0	0	351.449	3.014	40	30		FGEBRN
NC(=O)Cn1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21	ZINC000409386250	263554680	/nfs/dbraw/zinc/55/46/80/263554680.db2.gz	RTQGIQOIFGYOCX-DNTJNYDQSA-N	0	0	356.769	3.439	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F	ZINC000000795008	493772599	/nfs/dbraw/zinc/77/25/99/493772599.db2.gz	GWCVOIPNOZSQEZ-SJCJKPOMSA-N	0	0	371.364	3.176	40	30		FGEBRN
NC(=S)N/N=C/c1cc(Br)ccc1OCc1ccccc1	ZINC000001092387	493784977	/nfs/dbraw/zinc/78/49/77/493784977.db2.gz	DNHOAICBMJLPMD-GIJQJNRQSA-N	0	0	364.268	3.195	40	30		FGEBRN
C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000028350774	493787321	/nfs/dbraw/zinc/78/73/21/493787321.db2.gz	YIMYFMSQIWOQPU-FXBPSFAMSA-N	0	0	352.438	3.445	40	30		FGEBRN
COc1cccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c1	ZINC000004689584	493887534	/nfs/dbraw/zinc/88/75/34/493887534.db2.gz	DIHNNJYQROBDAC-XAMWDVODSA-N	0	0	362.389	3.204	40	30		FGEBRN
COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1[N+](=O)[O-]	ZINC000059419079	493906383	/nfs/dbraw/zinc/90/63/83/493906383.db2.gz	GOHWHHLRLKKEQJ-XNTDXEJSSA-N	0	0	355.375	3.495	40	30		FGEBRN
CC(C)=CC[C@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000005452635	493931265	/nfs/dbraw/zinc/93/12/65/493931265.db2.gz	BVRYLTBIGIAADD-INIZCTEOSA-N	0	0	358.390	3.327	40	30	biogenic,in-vitro	FGEBRN
COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000007375778	494018641	/nfs/dbraw/zinc/01/86/41/494018641.db2.gz	YGZBOCKGHXZSIP-RUDMXATFSA-N	0	0	368.389	3.336	40	30		FGEBRN
CCOc1ccc(Br)cc1C=NN1C(=O)CSC1=S	ZINC000033535528	494061225	/nfs/dbraw/zinc/06/12/25/494061225.db2.gz	AYPIVNGCMSGIDO-NSIKDUERSA-N	0	0	359.270	3.042	40	30		FGEBRN
CS/C(C)=N/OC(=O)N(C)SN(C)C(=O)O/N=C(\C)SC	ZINC000013827882	494297240	/nfs/dbraw/zinc/29/72/40/494297240.db2.gz	XDOTVMNBCQVZKG-MKICQXMISA-N	0	0	354.479	3.079	40	30	in-vitro	FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1	ZINC000013995734	494299421	/nfs/dbraw/zinc/29/94/21/494299421.db2.gz	CGGVOVSVEXGRFD-ZRDIBKRKSA-N	0	0	366.417	3.272	40	30		FGEBRN
Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(C#N)c3)n2)c1	ZINC000015674369	494365415	/nfs/dbraw/zinc/36/54/15/494365415.db2.gz	XOJAEKKJUKPHQZ-MOPGFXCFSA-N	0	0	360.417	3.225	40	30	biogenic,in-vitro	FGEBRN
N#C[C@]1(C=O)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000225667131	497070952	/nfs/dbraw/zinc/07/09/52/497070952.db2.gz	BBVPMVVRZBBECS-ULQDDVLXSA-N	0	0	363.797	3.128	40	30		FGEBRN
Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1C	ZINC000256049069	497382538	/nfs/dbraw/zinc/38/25/38/497382538.db2.gz	XZIXGZDDIVEKRG-UHFFFAOYSA-N	0	0	358.449	3.082	40	30		FGEBRN
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)o2)S1	ZINC000409008745	499595577	/nfs/dbraw/zinc/59/55/77/499595577.db2.gz	DTDVJEDHDBSVCS-VBKFSLOCSA-N	0	0	369.446	3.316	40	30		FGEBRN
C=CCSC1=NN2[C@@H](c3ccc(C)o3)Nc3ccccc3[C@H]2C(=O)N1	ZINC000588229267	506243182	/nfs/dbraw/zinc/24/31/82/506243182.db2.gz	QZJINFLDYOCMSE-HOTGVXAUSA-N	0	0	354.435	3.375	40	30		FGEBRN
C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(F)cc1	ZINC000224917751	518805676	/nfs/dbraw/zinc/80/56/76/518805676.db2.gz	PHFKIGQJNCSGEP-UHFFFAOYSA-N	0	0	366.370	3.124	40	30		FGEBRN
C=CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1	ZINC000066027673	519055778	/nfs/dbraw/zinc/05/57/78/519055778.db2.gz	CHIRXOAIZPTAIQ-UHFFFAOYSA-N	0	0	358.350	3.186	40	30		FGEBRN
COc1ccc(O)c(/C=N/CC(C)C/N=C/c2cc(OC)ccc2O)c1	ZINC000101206813	524723955	/nfs/dbraw/zinc/72/39/55/524723955.db2.gz	WOIXKQMPNSNVGG-ADYPVIEZSA-N	0	0	356.422	3.289	40	30		FGEBRN
Oc1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1	ZINC000408860054	570693287	/nfs/dbraw/zinc/69/32/87/570693287.db2.gz	XOHXNTFQKVBIRY-YVLHZVERSA-N	0	0	351.200	3.335	40	30		FGEBRN
COc1ccc(CNC=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000409058275	570717172	/nfs/dbraw/zinc/71/71/72/570717172.db2.gz	KICKTCZHBAATPD-MDZDMXLPSA-N	0	0	357.406	3.207	40	30		FGEBRN
CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(N)=O	ZINC000409214637	570741405	/nfs/dbraw/zinc/74/14/05/570741405.db2.gz	YVTZUIKYBXWOBD-JMIUGGIZSA-N	0	0	370.434	3.005	40	30		FGEBRN
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(O)cc1	ZINC000409350864	570752557	/nfs/dbraw/zinc/75/25/57/570752557.db2.gz	UQVGTDJFVZPCKM-UHFFFAOYSA-N	0	0	374.400	3.097	40	30		FGEBRN
COc1ccc([C@]2(C)NC(=O)N(N=CC3=CC[C@H]4C[C@@H]3C4(C)C)C2=O)cc1	ZINC000020935252	209637128	/nfs/dbraw/zinc/63/71/28/209637128.db2.gz	WLTAYVJOTRVOHA-VLRGEPDASA-N	0	0	367.449	3.440	40	30		FGEBRN
COc1cc(Br)cc(CN=Nc2nc(C)cc(C)n2)c1O	ZINC000005680567	209446899	/nfs/dbraw/zinc/44/68/99/209446899.db2.gz	GHZZNDPCPJFZCX-FRKPEAEDSA-N	0	0	351.204	3.016	40	30		FGEBRN
CCCCCCCCNC(=S)N/C=C1/C(=O)Oc2ccccc2C1=O	ZINC000104300860	209259541	/nfs/dbraw/zinc/25/95/41/209259541.db2.gz	ZKZJJIHFIJUTMC-FYWRMAATSA-N	0	0	360.479	3.497	40	30		FGEBRN
CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	ZINC000100975304	209220811	/nfs/dbraw/zinc/22/08/11/209220811.db2.gz	RZYJCRFKVFEFSY-HEWTWTGNSA-N	0	0	360.460	3.068	40	30		FGEBRN
CN(C)/C(=N\C(=O)C(F)(F)C(F)(F)OC(F)(F)F)c1ccccc1	ZINC000005318865	207093032	/nfs/dbraw/zinc/09/30/32/207093032.db2.gz	PFQJVLBORFAWJH-NKVSQWTQSA-N	0	0	360.229	3.286	40	30		FGEBRN
CON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)cc3)o2)cc1	ZINC000006482036	207142612	/nfs/dbraw/zinc/14/26/12/207142612.db2.gz	UKOQVLAXCBRRGH-UHFFFAOYSA-N	0	0	364.405	3.147	40	30	in-man	FGEBRN
CN(C)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cn2)cc1Br	ZINC000033690115	208098261	/nfs/dbraw/zinc/09/82/61/208098261.db2.gz	NNMXNVMTJAHVIS-IUXPMGMMSA-N	0	0	364.203	3.264	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1	ZINC000222435097	208699506	/nfs/dbraw/zinc/69/95/06/208699506.db2.gz	AIRWERYZKNQOJF-UHFFFAOYSA-N	0	0	374.462	3.208	40	30		FGEBRN
C=CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1	ZINC000072338435	132302940	/nfs/dbraw/zinc/30/29/40/132302940.db2.gz	MPOCPRDCPFECJA-UHFFFAOYSA-N	0	0	351.410	3.008	40	30		FGEBRN
C=CCN1c2ccccc2N[C@H]2[C@@H]1[C@H](C(C)=O)C(=O)N2c1ccc(C)cc1	ZINC000004628922	132306196	/nfs/dbraw/zinc/30/61/96/132306196.db2.gz	VWGVBEZKZHABEQ-PCCBWWKXSA-N	0	0	361.445	3.360	40	30		FGEBRN
N#Cc1ccccc1Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21	ZINC000408572637	263474193	/nfs/dbraw/zinc/47/41/93/263474193.db2.gz	RODCECKMBSVRMZ-UHFFFAOYSA-N	0	0	357.413	3.366	40	30		FGEBRN
CCOc1ccccc1/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000409238347	263545830	/nfs/dbraw/zinc/54/58/30/263545830.db2.gz	WZXDCBFOYRIMTR-JCMHNJIXSA-N	0	0	368.433	3.074	40	30		FGEBRN
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1	ZINC000004602331	493884405	/nfs/dbraw/zinc/88/44/05/493884405.db2.gz	HQVRDRZNGVNMCX-UHFFFAOYSA-N	0	0	354.366	3.478	40	30		FGEBRN
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1	ZINC000030320092	493887169	/nfs/dbraw/zinc/88/71/69/493887169.db2.gz	HTXRBLVALUOEIL-UHFFFAOYSA-N	0	0	365.426	3.220	40	30		FGEBRN
COc1ccc2nc(SCC(=O)Nc3nnc(C)s3)c(C#N)cc2c1	ZINC000004857486	493896621	/nfs/dbraw/zinc/89/66/21/493896621.db2.gz	AQZIAJZIHHYISX-UHFFFAOYSA-N	0	0	371.447	3.006	40	30		FGEBRN
Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc2c(c1)OCCO2	ZINC000006868599	493984257	/nfs/dbraw/zinc/98/42/57/493984257.db2.gz	IZBGLCLZZOCWAM-YBFXNURJSA-N	0	0	352.419	3.196	40	30		FGEBRN
C=CCO[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4F)cc3C(=O)N2C1	ZINC000008297205	494082267	/nfs/dbraw/zinc/08/22/67/494082267.db2.gz	NXSQEYDSTXKSAE-KUHUBIRLSA-N	0	0	366.392	3.231	40	30	biogenic,in-vitro	FGEBRN
COCCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1	ZINC000012224590	494216109	/nfs/dbraw/zinc/21/61/09/494216109.db2.gz	OFTCBIOKBUBKDE-UHFFFAOYSA-N	0	0	359.429	3.038	40	30		FGEBRN
C=CCOc1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1	ZINC000013717388	494294573	/nfs/dbraw/zinc/29/45/73/494294573.db2.gz	OXWBEFDSQGPKCJ-UHFFFAOYSA-N	0	0	364.401	3.266	40	30		FGEBRN
CN(C)NC(=CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000016958527	494403395	/nfs/dbraw/zinc/40/33/95/494403395.db2.gz	AOPUDTOSBKIPBX-KEBDBYFISA-N	0	0	373.253	3.106	40	30		FGEBRN
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1	ZINC000216303743	496988512	/nfs/dbraw/zinc/98/85/12/496988512.db2.gz	MQUMGHKGFIYMNO-UHFFFAOYSA-N	0	0	363.826	3.030	40	30		FGEBRN
C=C(C)COc1cccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1	ZINC000219781551	497011137	/nfs/dbraw/zinc/01/11/37/497011137.db2.gz	CBDZXTKQGZBROH-UHFFFAOYSA-N	0	0	374.462	3.290	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	ZINC000225652570	497070825	/nfs/dbraw/zinc/07/08/25/497070825.db2.gz	QPBVBOSGUGRZNH-RCCFBDPRSA-N	0	0	361.850	3.090	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1	ZINC000242592376	497355278	/nfs/dbraw/zinc/35/52/78/497355278.db2.gz	OSDRMGRTSKWCQG-VAMGGRTRSA-N	0	0	371.458	3.181	40	30		FGEBRN
C=CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccc1O	ZINC000408603365	499592927	/nfs/dbraw/zinc/59/29/27/499592927.db2.gz	GCQAWKYVMIRIQX-UHFFFAOYSA-N	0	0	355.379	3.291	40	30		FGEBRN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc([N+](=O)[O-])cc1	ZINC000408737266	499594507	/nfs/dbraw/zinc/59/45/07/499594507.db2.gz	MXBMRVISSLSSMD-JLWFYQMASA-N	0	0	351.362	3.279	40	30		FGEBRN
COc1cccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1	ZINC000408801104	499595284	/nfs/dbraw/zinc/59/52/84/499595284.db2.gz	SVQIXVUKJUTSJP-ZWAQGKOVSA-N	0	0	368.433	3.120	40	30		FGEBRN
CCOC(=O)C1=C(C)NC(SCC#N)=N[C@H]1c1ccccc1OCC	ZINC000408994347	499595425	/nfs/dbraw/zinc/59/54/25/499595425.db2.gz	YRAPZSGEFTZBBX-INIZCTEOSA-N	0	0	359.451	3.179	40	30		FGEBRN
C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)CC(C)C)C2	ZINC000585107458	507573691	/nfs/dbraw/zinc/57/36/91/507573691.db2.gz	WLKOQYVKWGKZFF-OAQYLSRUSA-N	0	0	350.466	3.352	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224757253	518812548	/nfs/dbraw/zinc/81/25/48/518812548.db2.gz	VAHVBEMZJLIFNI-UHFFFAOYSA-N	0	0	354.334	3.254	40	30		FGEBRN
C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224707962	518813578	/nfs/dbraw/zinc/81/35/78/518813578.db2.gz	PNEMUFXINUKLTR-UHFFFAOYSA-N	0	0	351.811	3.450	40	30		FGEBRN
C=CCN(c1ccccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225078343	518821124	/nfs/dbraw/zinc/82/11/24/518821124.db2.gz	CUQLAZRWMCXZTD-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000224227362	518933431	/nfs/dbraw/zinc/93/34/31/518933431.db2.gz	YHQXTKXYRMDMKA-UHFFFAOYSA-N	0	0	364.854	3.081	40	30		FGEBRN
CC(C)c1ccc2c(c1)C(=NNc1ccccn1)C(=O)N2C1CSC1	ZINC000223729532	519840524	/nfs/dbraw/zinc/84/05/24/519840524.db2.gz	LALVBOBLAISWGQ-PYCFMQQDSA-N	0	0	352.463	3.483	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@]3(C)[C@@H]1C2	ZINC000252516563	526209859	/nfs/dbraw/zinc/20/98/59/526209859.db2.gz	UHNRJNAOOCIDDJ-CYVRZMQGSA-N	0	0	360.450	3.164	40	30	biogenic,in-vitro	FGEBRN
N#CCc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1	ZINC000225646247	526484797	/nfs/dbraw/zinc/48/47/97/526484797.db2.gz	MJOPZDXIFYXSAW-UHFFFAOYSA-N	0	0	364.474	3.366	40	30		FGEBRN
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1O	ZINC000408929706	570700351	/nfs/dbraw/zinc/70/03/51/570700351.db2.gz	MTQUGKHTQRWEFR-KTWKVWFASA-N	0	0	371.256	3.085	40	30		FGEBRN
CC/N=C1/S/C(=C/c2ccc(OC)c(OC)c2OC)C(=O)N1CC	ZINC000408930846	570700669	/nfs/dbraw/zinc/70/06/69/570700669.db2.gz	CUMRAZFZCLBHBY-UQOBALEFSA-N	0	0	350.440	3.025	40	30		FGEBRN
CCOC(=O)COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000408930758	570700694	/nfs/dbraw/zinc/70/06/94/570700694.db2.gz	BRYGDKUQFVOSIE-PXLXIMEGSA-N	0	0	368.433	3.216	40	30		FGEBRN
C#CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OCC	ZINC000409079234	570720618	/nfs/dbraw/zinc/72/06/18/570720618.db2.gz	IYUQZBBKFKCOKC-LGMDPLHJSA-N	0	0	368.433	3.323	40	30		FGEBRN
CC1=NOC(=O)/C1=C/c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1	ZINC000409087394	570721735	/nfs/dbraw/zinc/72/17/35/570721735.db2.gz	CIIVPBFSWNKTSZ-GZTJUZNOSA-N	0	0	357.387	3.079	40	30		FGEBRN
O=[N+]([O-])c1ccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])cc1	ZINC000409095356	570721751	/nfs/dbraw/zinc/72/17/51/570721751.db2.gz	HGFVZFXSIVUIMT-WOJGMQOQSA-N	0	0	352.310	3.135	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O	ZINC000409142783	570732416	/nfs/dbraw/zinc/73/24/16/570732416.db2.gz	BGWGHHDUHHGZQU-LDADJPATSA-N	0	0	352.365	3.483	40	30		FGEBRN
CC(C)Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Cl	ZINC000409352956	570752561	/nfs/dbraw/zinc/75/25/61/570752561.db2.gz	FRQHLLVNBATEKU-UHFFFAOYSA-N	0	0	357.797	3.425	40	30		FGEBRN
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O	ZINC000005000837	209432439	/nfs/dbraw/zinc/43/24/39/209432439.db2.gz	UJDXNMHLQACVKA-HUUCEWRRSA-N	0	0	367.424	3.316	40	30		FGEBRN
O=C1Nc2ccc(Br)cc2C1=NN=c1[nH]c2ccccc2s1	ZINC000004611062	209423645	/nfs/dbraw/zinc/42/36/45/209423645.db2.gz	KGTQLVIOMUAOGA-UHFFFAOYSA-N	0	0	373.235	3.249	40	30		FGEBRN
CCCCCCCCCCCCN1CN=C(NS(=O)(=O)C(C)C)NC1	ZINC000102348484	209234835	/nfs/dbraw/zinc/23/48/35/209234835.db2.gz	FAHHKPWVEBDSNF-UHFFFAOYSA-N	0	0	374.595	3.411	40	30		FGEBRN
CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2C#N)cc(-c2cccnc2)n1	ZINC000328964503	206725107	/nfs/dbraw/zinc/72/51/07/206725107.db2.gz	BUTQYEBZXDOUIN-LJQANCHMSA-N	0	0	374.448	3.005	40	30		FGEBRN
CCOc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)c(OCC)c1	ZINC000033295677	208083251	/nfs/dbraw/zinc/08/32/51/208083251.db2.gz	YVBQUWQYCXHWIS-UYRXBGFRSA-N	0	0	362.451	3.105	40	30		FGEBRN
COc1ccc(-n2c(SCC#N)nnc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005007485	263337825	/nfs/dbraw/zinc/33/78/25/263337825.db2.gz	NRRSHORQWQQPEE-UHFFFAOYSA-N	0	0	367.390	3.467	40	30		FGEBRN
C=CCn1c(CCCC)nnc1SCC(=O)N1CCc2ccccc21	ZINC000408560860	263471537	/nfs/dbraw/zinc/47/15/37/263471537.db2.gz	PUDCRBFHXKVUCF-UHFFFAOYSA-N	0	0	356.495	3.488	40	30		FGEBRN
COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1[N+](=O)[O-]	ZINC000409044163	263519335	/nfs/dbraw/zinc/51/93/35/263519335.db2.gz	OAWFLAATUXQGTJ-UHFFFAOYSA-N	0	0	368.389	3.304	40	30		FGEBRN
COc1cc(C)c(C=NN2C(=S)N=NC2c2ccccc2)cc1OC	ZINC000409061109	263521669	/nfs/dbraw/zinc/52/16/69/263521669.db2.gz	VHWPNEBRXGKDNK-YBFXNURJSA-N	0	0	354.435	3.442	40	30		FGEBRN
CC[C@H](C)Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OC	ZINC000409361538	263551172	/nfs/dbraw/zinc/55/11/72/263551172.db2.gz	DAMNOLSLGFXIOB-ZDUSSCGKSA-N	0	0	367.405	3.170	40	30		FGEBRN
N#CCn1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	ZINC000409376010	263554036	/nfs/dbraw/zinc/55/40/36/263554036.db2.gz	SBTYPQOHPWDFCP-VXLYETTFSA-N	0	0	364.321	3.427	40	30		FGEBRN
C#CCOc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1	ZINC000006295395	493957714	/nfs/dbraw/zinc/95/77/14/493957714.db2.gz	UDVJHULNCXVVBO-KRWDZBQOSA-N	0	0	368.483	3.065	40	30		FGEBRN
CCNC(=S)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	ZINC000006387073	493962050	/nfs/dbraw/zinc/96/20/50/493962050.db2.gz	CLFCEYOMVHRODQ-FSJBWODESA-N	0	0	361.474	3.379	40	30		FGEBRN
CN1C(=O)C(=Cc2cn(Cc3ccc(C#N)cc3)c3ccccc23)NC1=S	ZINC000039556494	494122818	/nfs/dbraw/zinc/12/28/18/494122818.db2.gz	VCTZXCXQNMYUQA-ZDLGFXPLSA-N	0	0	372.453	3.249	40	30		FGEBRN
N#C[C@H](C(=O)c1cccc(Cl)c1)c1nnnn1-c1ccc(Cl)cc1	ZINC000016398782	494389048	/nfs/dbraw/zinc/38/90/48/494389048.db2.gz	QGQQQDJVQOPKRD-CQSZACIVSA-N	0	0	358.188	3.459	40	30		FGEBRN
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1C(=O)C[C@H](C)CC1=N2	ZINC000019959583	494464923	/nfs/dbraw/zinc/46/49/23/494464923.db2.gz	ZTTGTBCAVBHXNU-QLJPJBMISA-N	0	0	356.451	3.364	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225005494	497055487	/nfs/dbraw/zinc/05/54/87/497055487.db2.gz	ZMNKHRNJWXNRIZ-UHFFFAOYSA-N	0	0	357.391	3.042	40	30		FGEBRN
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225003998	497055547	/nfs/dbraw/zinc/05/55/47/497055547.db2.gz	ZPFDEGSOGZVJPR-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
O=C[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225643921	497069628	/nfs/dbraw/zinc/06/96/28/497069628.db2.gz	HMTZHBTZFZNPHU-ARFHVFGLSA-N	0	0	365.248	3.204	40	30		FGEBRN
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000225662963	497070525	/nfs/dbraw/zinc/07/05/25/497070525.db2.gz	CWPUUSLREALRNV-SQNIBIBYSA-N	0	0	359.834	3.297	40	30		FGEBRN
C[C@@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)C1	ZINC000225858784	497077663	/nfs/dbraw/zinc/07/76/63/497077663.db2.gz	CMVZWFHUCHOFIS-CQSZACIVSA-N	0	0	370.884	3.445	40	30		FGEBRN
O=C1c2cc(-c3ccc(C=Nn4cnnc4)o3)ccc2C(=O)[C@@H]2C=CCC=C12	ZINC000254415199	497348804	/nfs/dbraw/zinc/34/88/04/497348804.db2.gz	SFJMNAXVASQKLI-CVEARBPZSA-N	0	0	370.368	3.158	40	30		FGEBRN
N#Cc1ccccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1	ZINC000329005741	499013738	/nfs/dbraw/zinc/01/37/38/499013738.db2.gz	KYSZROJULFARFY-UHFFFAOYSA-N	0	0	356.433	3.352	40	30		FGEBRN
O=[N+]([O-])c1cccnc1N=NCc1ccccc1I	ZINC000408551618	499592238	/nfs/dbraw/zinc/59/22/38/499592238.db2.gz	OSUIOAKPFVRYFW-OVCLIPMQSA-N	0	0	368.134	3.040	40	30		FGEBRN
C#CCOc1ccc([N+](=O)[O-])cc1C=NN=c1[nH]c2ccccc2n1CC	ZINC000408692887	499593907	/nfs/dbraw/zinc/59/39/07/499593907.db2.gz	XPUFAHSVWPRUMY-DEDYPNTBSA-N	0	0	363.377	3.422	40	30		FGEBRN
CN(C)c1ccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])cc1	ZINC000408959670	499595610	/nfs/dbraw/zinc/59/56/10/499595610.db2.gz	CVUMNPISCLMNBU-DEDYPNTBSA-N	0	0	350.382	3.293	40	30		FGEBRN
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1	ZINC000003418009	518898628	/nfs/dbraw/zinc/89/86/28/518898628.db2.gz	ZAEJAOXTKYPKML-UHFFFAOYSA-N	0	0	365.458	3.088	40	30		FGEBRN
C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)s1	ZINC000225740828	519087407	/nfs/dbraw/zinc/08/74/07/519087407.db2.gz	RJLDCFJQWDMKCG-SNVBAGLBSA-N	0	0	351.453	3.231	40	30		FGEBRN
C=CC[C@@H]1C(=O)C=C(OC)[C@]2(OC)[C@H](C)[C@H](c3ccc4c(c3)OCO4)O[C@@H]12	ZINC000257397878	519107144	/nfs/dbraw/zinc/10/71/44/519107144.db2.gz	COELSLLVNMRXHB-KAPIFBTNSA-N	0	0	372.417	3.182	40	30		FGEBRN
Cc1cc(-c2ccccc2)n(-c2cc(N=NCc3ccccn3)ncn2)n1	ZINC000004952809	526043278	/nfs/dbraw/zinc/04/32/78/526043278.db2.gz	RIEVHYMFPBVVKH-ZMOGYAJESA-N	0	0	355.405	3.479	40	30		FGEBRN
O=C1Nc2c(cc(F)cc2F)C1=NNc1ccc(Br)cc1	ZINC000223750673	527087325	/nfs/dbraw/zinc/08/73/25/527087325.db2.gz	RRALMMMKHSFBON-UHFFFAOYSA-N	0	0	352.138	3.496	40	30		FGEBRN
Cn1ncc(/N=C/c2ccccc2OC(F)F)c1C(=O)NCc1ccco1	ZINC000101603433	527563587	/nfs/dbraw/zinc/56/35/87/527563587.db2.gz	XTMWGAHYGFPNSE-ZVBGSRNCSA-N	0	0	374.347	3.295	40	30		FGEBRN
CCCCOC(=O)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1	ZINC000408964273	570704175	/nfs/dbraw/zinc/70/41/75/570704175.db2.gz	QIOILDPMSGKUJD-LPYMAVHISA-N	0	0	354.406	3.258	40	30		FGEBRN
COc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O	ZINC000409273993	570747998	/nfs/dbraw/zinc/74/79/98/570747998.db2.gz	BFKJUYZDOOKJDN-UHFFFAOYSA-N	0	0	372.222	3.358	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O	ZINC000409280033	570748036	/nfs/dbraw/zinc/74/80/36/570748036.db2.gz	JDROOJCCRCSPKG-UHFFFAOYSA-N	0	0	358.195	3.055	40	30		FGEBRN
N#Cc1ccccc1CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O	ZINC000409154786	571319511	/nfs/dbraw/zinc/31/95/11/571319511.db2.gz	PABJHJAEHGIAQD-NXVVXOECSA-N	0	0	361.382	3.117	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@@H](C)C(=O)C=C[C@@]1(C)O	ZINC000958317929	762678820	/nfs/dbraw/zinc/67/88/20/762678820.db2.gz	BIGBTKXKWUHWLH-VMLCALGTSA-N	0	0	350.455	3.012	40	30		FGEBRN
C=CCSc1nnc(NC(=O)c2cccc(N3CCCC3=O)c2)s1	ZINC000018081343	210153978	/nfs/dbraw/zinc/15/39/78/210153978.db2.gz	WCVSHEYUNIJVNM-UHFFFAOYSA-N	0	0	360.464	3.195	40	30		FGEBRN
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	ZINC000301055013	210043067	/nfs/dbraw/zinc/04/30/67/210043067.db2.gz	SFNSLLSYNZWZQG-APWZRJJASA-N	0	0	374.448	3.392	40	30		FGEBRN
CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccn1	ZINC000013151555	220060322	/nfs/dbraw/zinc/06/03/22/220060322.db2.gz	FVZFWYUPXMZJJX-WVCJAJDESA-N	0	0	354.435	3.062	40	30		FGEBRN
COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)c1	ZINC000014608167	220128122	/nfs/dbraw/zinc/12/81/22/220128122.db2.gz	JTOZMTOMMYRAJF-ORAYPTAESA-N	0	0	362.389	3.295	40	30		FGEBRN
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1	ZINC000018038232	220221228	/nfs/dbraw/zinc/22/12/28/220221228.db2.gz	VEBJUJMPWMDUCD-LJQANCHMSA-N	0	0	361.401	3.090	40	30		FGEBRN
CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccc(F)cc3)[C@]21C#N	ZINC000019874875	211260352	/nfs/dbraw/zinc/26/03/52/211260352.db2.gz	JHXWOSNCSXBZOP-FVQBIDKESA-N	0	0	360.483	3.474	40	30		FGEBRN
COc1ccc2c(c1)C(=O)C[C@H](COS(=O)(=O)c1ccc(C)cc1)C2	ZINC000001563679	210360903	/nfs/dbraw/zinc/36/09/03/210360903.db2.gz	VIQGPRTUKHGHJP-CQSZACIVSA-N	0	0	360.431	3.154	40	30		FGEBRN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000030775426	132374321	/nfs/dbraw/zinc/37/43/21/132374321.db2.gz	HEZYMSYFEJWMHZ-UHFFFAOYSA-N	0	0	370.796	3.082	40	30		FGEBRN
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1C(=O)[C@H](CO)N(C)C1=O	ZINC000100152229	222237654	/nfs/dbraw/zinc/23/76/54/222237654.db2.gz	QNQBPPQLRODXET-YDLOFUBOSA-N	0	0	373.493	3.021	40	30		FGEBRN
COc1ccccc1CN/N=C/c1cc(Br)c(O)c(OC)c1	ZINC000020761426	263381469	/nfs/dbraw/zinc/38/14/69/263381469.db2.gz	ABOSHBNQMHLSSQ-GIJQJNRQSA-N	0	0	365.227	3.296	40	30		FGEBRN
COc1ccccc1CN/N=C/c1ccc(I)cc1	ZINC000020761935	263383195	/nfs/dbraw/zinc/38/31/95/263383195.db2.gz	BBMRGBVXIAQYKY-LICLKQGHSA-N	0	0	366.202	3.424	40	30		FGEBRN
C#CCOc1c(CC=C)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC	ZINC000408808431	263497731	/nfs/dbraw/zinc/49/77/31/263497731.db2.gz	GUAZQWPKHIINFG-VBKFSLOCSA-N	0	0	357.431	3.492	40	30		FGEBRN
C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCC#N	ZINC000408814997	263498421	/nfs/dbraw/zinc/49/84/21/263498421.db2.gz	QYNMOYIPKXCZFT-PTNGSMBKSA-N	0	0	358.419	3.382	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cccn2-c2cccc(Br)c2)C1=O	ZINC000409132122	263531762	/nfs/dbraw/zinc/53/17/62/263531762.db2.gz	OVQILTUPEXNVIT-RVDMUPIBSA-N	0	0	372.222	3.319	40	30		FGEBRN
Cc1cccc2cc(C#N)c(NCCNC(=O)COc3ccccc3)nc12	ZINC000004964457	493903743	/nfs/dbraw/zinc/90/37/43/493903743.db2.gz	YYHGQVHIKAIDIT-UHFFFAOYSA-N	0	0	360.417	3.022	40	30		FGEBRN
CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1nccs1	ZINC000004957287	493903987	/nfs/dbraw/zinc/90/39/87/493903987.db2.gz	ZJUFIOPCZNDRNU-QCJHYCHESA-N	0	0	360.464	3.123	40	30		FGEBRN
COc1ccc(CCN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000005257318	493922349	/nfs/dbraw/zinc/92/23/49/493922349.db2.gz	RKWYGFXOYQMWJQ-CAOOACKPSA-N	0	0	360.326	3.161	40	30		FGEBRN
COc1cccc(C(=CC(O)(C(F)(F)F)C(F)(F)F)NN(C)C)c1	ZINC000005941585	493946253	/nfs/dbraw/zinc/94/62/53/493946253.db2.gz	IDIWYAFOWKHUEL-NHDPSOOVSA-N	0	0	358.282	3.207	40	30		FGEBRN
O=S1(=O)CC[C@@H](N(/N=C\c2c[nH]c3ccccc23)c2ccccc2)C1	ZINC000006575320	493968222	/nfs/dbraw/zinc/96/82/22/493968222.db2.gz	LOGHWOKNQJTQBK-OJSPLJLUSA-N	0	0	353.447	3.196	40	30		FGEBRN
CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC(C)C)cc1	ZINC000078547322	494317986	/nfs/dbraw/zinc/31/79/86/494317986.db2.gz	HOVBPYJLKUGFIZ-GOSISDBHSA-N	0	0	361.438	3.185	40	30		FGEBRN
CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Cl)c1OC	ZINC000044060334	494337568	/nfs/dbraw/zinc/33/75/68/494337568.db2.gz	DUEPYAMGSCKUNS-WOJGMQOQSA-N	0	0	368.842	3.060	40	30		FGEBRN
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1)n1[nH]c(=O)cc1N	ZINC000137090147	495422925	/nfs/dbraw/zinc/42/29/25/495422925.db2.gz	KDYAKARYKLSQMC-UGSOOPFHSA-N	0	0	361.430	3.359	40	30		FGEBRN
N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1	ZINC000214691094	496977296	/nfs/dbraw/zinc/97/72/96/496977296.db2.gz	SLOGFOOBJHKYMD-MHWRWJLKSA-N	0	0	363.398	3.233	40	30		FGEBRN
N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1	ZINC000278066179	496991601	/nfs/dbraw/zinc/99/16/01/496991601.db2.gz	ZHUOKIVGSLTWAO-FHWLQOOXSA-N	0	0	374.444	3.365	40	30		FGEBRN
CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218469978	497002381	/nfs/dbraw/zinc/00/23/81/497002381.db2.gz	XZIFXFOCGAOULE-CEXWTWQISA-N	0	0	359.422	3.312	40	30		FGEBRN
CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218372713	497002834	/nfs/dbraw/zinc/00/28/34/497002834.db2.gz	QLWPPTGRGHFDHC-HSALFYBXSA-N	0	0	355.459	3.481	40	30		FGEBRN
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(C(F)(F)F)n2)c1	ZINC000225894688	497078207	/nfs/dbraw/zinc/07/82/07/497078207.db2.gz	MBPLKQXQGZRRQT-UHFFFAOYSA-N	0	0	368.340	3.028	40	30		FGEBRN
C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S	ZINC000231412863	497109351	/nfs/dbraw/zinc/10/93/51/497109351.db2.gz	MIOLJNWUQDOPHR-GXDHUFHOSA-N	0	0	372.833	3.413	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000252514253	497309222	/nfs/dbraw/zinc/30/92/22/497309222.db2.gz	BKQLFPNIVKCSPT-KZNAEPCWSA-N	0	0	361.850	3.436	40	30		FGEBRN
N#C[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000252516439	497309472	/nfs/dbraw/zinc/30/94/72/497309472.db2.gz	SNQFDMZDBLOTRL-XHSDSOJGSA-N	0	0	367.257	3.154	40	30		FGEBRN
COC(=O)[C@@H]1CC[C@H]2[C@]1(C)CC[C@H]1[C@]34CCC(=O)C=C3CC[C@]21O[C@H]4OC	ZINC000254567563	497349933	/nfs/dbraw/zinc/34/99/33/497349933.db2.gz	RWKSXLXAGGNKPV-YIAFZXSMSA-N	0	0	374.477	3.413	40	30		FGEBRN
O=C(COc1ccccc1C=C1C(=O)c2ccccc2C1=O)N1CCCC1	ZINC000408574931	499592351	/nfs/dbraw/zinc/59/23/51/499592351.db2.gz	GQOMSMZODVEHHH-UHFFFAOYSA-N	0	0	361.397	3.150	40	30		FGEBRN
N#CCOc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1	ZINC000408807066	499595073	/nfs/dbraw/zinc/59/50/73/499595073.db2.gz	OBIFWNUOHUREIF-UHFFFAOYSA-N	0	0	354.386	3.491	40	30		FGEBRN
C=CCn1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)c2ccccc21	ZINC000408917813	499595117	/nfs/dbraw/zinc/59/51/17/499595117.db2.gz	BMGFSEMJMFWLJL-MHWRWJLKSA-N	0	0	370.430	3.427	40	30		FGEBRN
Cn1ccnc1CN1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1	ZINC000585294473	507587551	/nfs/dbraw/zinc/58/75/51/507587551.db2.gz	GDDDIFUEBQYSTI-SFHVURJKSA-N	0	0	359.437	3.162	40	30		FGEBRN
C/C(=N\O)c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	ZINC000005447080	518468225	/nfs/dbraw/zinc/46/82/25/518468225.db2.gz	AYYLWSKEMAFQBJ-CPNJWEJPSA-N	0	0	355.423	3.032	40	30		FGEBRN
CCOc1ccccc1/C=N\NC(=S)N/N=C\c1ccccc1OCC	ZINC000034702383	521448068	/nfs/dbraw/zinc/44/80/68/521448068.db2.gz	QNJARJUWDWNJMF-NMGXZBPKSA-N	0	0	370.478	3.316	40	30		FGEBRN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000027618719	521966844	/nfs/dbraw/zinc/96/68/44/521966844.db2.gz	WJQLUFQGNVGLKR-SZMVWBNQSA-N	0	0	362.470	3.057	40	30		FGEBRN
CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccnc3)ccc2C#N)CC1	ZINC000022115500	534841170	/nfs/dbraw/zinc/84/11/70/534841170.db2.gz	JEDJIBVEOBFOEP-UHFFFAOYSA-N	0	0	365.437	3.072	40	30		FGEBRN
OCC(=NNc1ccccc1)c1cccc(C(CO)=[NH+][N-]c2ccccc2)c1	ZINC000013403611	527504835	/nfs/dbraw/zinc/50/48/35/527504835.db2.gz	RHNWEHNPPNHOKZ-ORFRIDJFSA-N	0	0	374.444	3.304	40	30		FGEBRN
CN(C)c1ccc(-n2cccc2CN=Nc2ccc([N+](=O)[O-])cn2)cc1	ZINC000408851684	570691957	/nfs/dbraw/zinc/69/19/57/570691957.db2.gz	MKYSQZSYZXJJSM-DEDYPNTBSA-N	0	0	350.382	3.293	40	30		FGEBRN
COc1ccc(/N=C\c2ccc(O)c(I)c2)cn1	ZINC000408905010	570696605	/nfs/dbraw/zinc/69/66/05/570696605.db2.gz	RXKYUPGZTCXOPS-CHHVJCJISA-N	0	0	354.147	3.151	40	30		FGEBRN
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000408930848	570700789	/nfs/dbraw/zinc/70/07/89/570700789.db2.gz	CUTCFJRJCSXZJG-DEDYPNTBSA-N	0	0	371.393	3.199	40	30		FGEBRN
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccccc1Br	ZINC000408997470	570709485	/nfs/dbraw/zinc/70/94/85/570709485.db2.gz	GQHWMSPPPVJFJA-CAOOACKPSA-N	0	0	351.273	3.024	40	30		FGEBRN
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\C=C\c2ccccc2)C1=O	ZINC000409092779	570720795	/nfs/dbraw/zinc/72/07/95/570720795.db2.gz	WQPSGCRQIOQEAU-FENWIEIGSA-N	0	0	357.431	3.201	40	30		FGEBRN
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000044682049	570898687	/nfs/dbraw/zinc/89/86/87/570898687.db2.gz	WJQLUFQGNVGLKR-RYQLBKOJSA-N	0	0	362.470	3.057	40	30		FGEBRN
N#Cc1c(N)nc2c(c1-c1cc3c(cc1Br)OCO3)CCCC2	ZINC000408980531	571319464	/nfs/dbraw/zinc/31/94/64/571319464.db2.gz	RTJKYVXIZAPIQR-UHFFFAOYSA-N	0	0	372.222	3.403	40	30		FGEBRN
COc1cc2cc(C#N)c(SCC(=O)NC3CCCC3)nc2cc1OC	ZINC000034791602	210247106	/nfs/dbraw/zinc/24/71/06/210247106.db2.gz	PPJMFYGGMBRWCD-UHFFFAOYSA-N	0	0	371.462	3.275	40	30		FGEBRN
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccc2ncccc2c1	ZINC000253372534	120318312	/nfs/dbraw/zinc/31/83/12/120318312.db2.gz	FSDOJDMOPZEXAH-SXLOBPIMSA-N	0	0	352.434	3.057	40	30		FGEBRN
C#CCOC(C(=O)OC1CC[NH+](C)CC1)(c1ccccc1)c1ccccc1	ZINC000005063882	210106126	/nfs/dbraw/zinc/10/61/26/210106126.db2.gz	DEZFZPSRFQVCIO-UHFFFAOYSA-N	0	0	363.457	3.217	40	30		FGEBRN
COc1ccc([C@@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	ZINC000000836899	219328714	/nfs/dbraw/zinc/32/87/14/219328714.db2.gz	BMZDKWWOQOVMEE-QGZVFWFLSA-N	0	0	369.339	3.200	40	30		FGEBRN
COc1ccccc1COc1nn(Cc2ccccc2F)c(N)c1C#N	ZINC000225841496	222874341	/nfs/dbraw/zinc/87/43/41/222874341.db2.gz	RIJMUNQNNGVYJE-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
COc1cccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)c1	ZINC000225841514	222874359	/nfs/dbraw/zinc/87/43/59/222874359.db2.gz	KDTGKWKNEZQKAM-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
COc1cc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)cc(OC)c1O	ZINC000013454387	220068386	/nfs/dbraw/zinc/06/83/86/220068386.db2.gz	PCLFSFQEDFZNSB-OQLLNIDSSA-N	0	0	372.402	3.007	40	30		FGEBRN
COc1cccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)c1	ZINC000014608166	220128445	/nfs/dbraw/zinc/12/84/45/220128445.db2.gz	JTOZMTOMMYRAJF-YJYMSZOUSA-N	0	0	362.389	3.295	40	30		FGEBRN
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	ZINC000016929161	211171276	/nfs/dbraw/zinc/17/12/76/211171276.db2.gz	PSRYHQQVKMOFNA-UXDCFRQJSA-N	0	0	356.462	3.039	40	30		FGEBRN
N#Cc1cccc(N2CCC[C@@]3(CN(CC4CC4)CC(F)(F)C3)C2=O)c1	ZINC000306134262	132301482	/nfs/dbraw/zinc/30/14/82/132301482.db2.gz	NHFHQECRXGONSA-LJQANCHMSA-N	0	0	359.420	3.422	40	30		FGEBRN
N#Cc1cc(N)ccc1N1CCN(C(=O)c2cccc3ccccc32)CC1	ZINC000070462127	132302537	/nfs/dbraw/zinc/30/25/37/132302537.db2.gz	KHDLUGGTAKXABP-UHFFFAOYSA-N	0	0	356.429	3.256	40	30		FGEBRN
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000103980667	222347193	/nfs/dbraw/zinc/34/71/93/222347193.db2.gz	SOXIJFAYYXSXCD-LRRJSBNBSA-N	0	0	360.370	3.329	40	30		FGEBRN
C=CCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1	ZINC000022275310	263386219	/nfs/dbraw/zinc/38/62/19/263386219.db2.gz	ZJOIUHLGCWAVSU-UHFFFAOYSA-N	0	0	372.490	3.109	40	30		FGEBRN
CCCCCCCc1nnc(SCC(=O)NCc2ccco2)n1C	ZINC000408560670	263471451	/nfs/dbraw/zinc/47/14/51/263471451.db2.gz	NCDLIXHILWRMGY-UHFFFAOYSA-N	0	0	350.488	3.330	40	30		FGEBRN
CC1CCN(C(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)CC1	ZINC000003136732	493831076	/nfs/dbraw/zinc/83/10/76/493831076.db2.gz	WPNFXIBNHMYVMQ-NSHDSACASA-N	0	0	373.215	3.440	40	30		FGEBRN
N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCCC1)OCO3	ZINC000004849200	493895822	/nfs/dbraw/zinc/89/58/22/493895822.db2.gz	DLUHIORHNZQLBC-UHFFFAOYSA-N	0	0	369.446	3.330	40	30		FGEBRN
C=CCOC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl	ZINC000005173637	493917653	/nfs/dbraw/zinc/91/76/53/493917653.db2.gz	KYPBXEQTZUPZMC-ZVBGSRNCSA-N	0	0	356.769	3.417	40	30		FGEBRN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCc4ccccc43)C2)n1	ZINC000081808611	493958025	/nfs/dbraw/zinc/95/80/25/493958025.db2.gz	MOYMQNBXVMCTSF-IBGZPJMESA-N	0	0	360.461	3.458	40	30		FGEBRN
CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000006672634	493974122	/nfs/dbraw/zinc/97/41/22/493974122.db2.gz	SJIHTCAUUGHGSF-LICLKQGHSA-N	0	0	360.326	3.356	40	30		FGEBRN
C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(CCC)C2=O)cc1OC	ZINC000006879218	493984317	/nfs/dbraw/zinc/98/43/17/493984317.db2.gz	IYOJUVQOJKHPOV-AWEZNQCLSA-N	0	0	367.854	3.377	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1	ZINC000010370833	494152424	/nfs/dbraw/zinc/15/24/24/494152424.db2.gz	JXBILGAVYDZRIN-UHFFFAOYSA-N	0	0	360.435	3.184	40	30		FGEBRN
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	ZINC000216774621	496991591	/nfs/dbraw/zinc/99/15/91/496991591.db2.gz	IUZDIXZEONDXCM-NRFANRHFSA-N	0	0	359.433	3.038	40	30		FGEBRN
COc1ccc(C2(C(=O)Nc3ccc(OC)cc3C#N)CCOCC2)cc1	ZINC000225781416	497074929	/nfs/dbraw/zinc/07/49/29/497074929.db2.gz	DVINLPUWYMOTDR-UHFFFAOYSA-N	0	0	366.417	3.262	40	30		FGEBRN
N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)N1CCCCC1	ZINC000225858123	497077103	/nfs/dbraw/zinc/07/71/03/497077103.db2.gz	XBYHOZDXRBNQPN-UHFFFAOYSA-N	0	0	356.857	3.199	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000242648740	497355512	/nfs/dbraw/zinc/35/55/12/497355512.db2.gz	RFLKWMVSTSCAJK-XUVXKRRUSA-N	0	0	355.459	3.400	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000242649075	497355625	/nfs/dbraw/zinc/35/56/25/497355625.db2.gz	RTRAGWLEUVIDQT-XUVXKRRUSA-N	0	0	355.459	3.481	40	30		FGEBRN
CON=C(C(=S)Oc1nc2ccccc2s1)c1csc(N)n1	ZINC000256009597	497381850	/nfs/dbraw/zinc/38/18/50/497381850.db2.gz	WRTVTCFELAEIEQ-UHFFFAOYSA-N	0	0	350.450	3.092	40	30		FGEBRN
CC(=O)Nc1ccc(Nc2cc(C(F)(F)F)nc(N[C@H](C)CO)n2)cc1	ZINC000328987619	499007866	/nfs/dbraw/zinc/00/78/66/499007866.db2.gz	IBWQEEPDIRCVOI-SECBINFHSA-N	0	0	369.347	3.062	40	30		FGEBRN
CNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C(F)(F)F)n1	ZINC000328999261	499011527	/nfs/dbraw/zinc/01/15/27/499011527.db2.gz	JVIFFMHZHMORDK-UHFFFAOYSA-N	0	0	354.229	3.282	40	30		FGEBRN
C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O	ZINC000408531985	499591526	/nfs/dbraw/zinc/59/15/26/499591526.db2.gz	NBNWDSQOCCNBLL-GDNBJRDFSA-N	0	0	361.419	3.239	40	30		FGEBRN
CN1CCc2c(C#N)c(NC(=O)Cn3ccc4ccccc43)sc2C1	ZINC000408583834	499592517	/nfs/dbraw/zinc/59/25/17/499592517.db2.gz	XFJPMPAQXYNLMO-UHFFFAOYSA-N	0	0	350.447	3.201	40	30		FGEBRN
CN(C)c1nc(N=NCc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1	ZINC000408720656	499594610	/nfs/dbraw/zinc/59/46/10/499594610.db2.gz	BJNMZGOZIWMCRC-SRZZPIQSSA-N	0	0	369.379	3.405	40	30		FGEBRN
C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(F)cc1	ZINC000224918479	518805474	/nfs/dbraw/zinc/80/54/74/518805474.db2.gz	YMRMXWQCHJXLMA-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224830534	518810446	/nfs/dbraw/zinc/81/04/46/518810446.db2.gz	CHRDGEWUASPVOM-UHFFFAOYSA-N	0	0	359.447	3.402	40	30		FGEBRN
C=CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000224265863	518938357	/nfs/dbraw/zinc/93/83/57/518938357.db2.gz	PRTXQHBBNVLMQH-UHFFFAOYSA-N	0	0	364.854	3.081	40	30		FGEBRN
C=CCSc1nnc(NC(=O)c2ccc(Cn3ccnc3)cc2)s1	ZINC000224355135	519091250	/nfs/dbraw/zinc/09/12/50/519091250.db2.gz	UAOKIXFHOSARKS-UHFFFAOYSA-N	0	0	357.464	3.313	40	30		FGEBRN
CCOCCCNC(=S)NCCNc1nc2c(C)cccc2cc1C#N	ZINC000013477743	521677908	/nfs/dbraw/zinc/67/79/08/521677908.db2.gz	WDSURKQHPYEBAU-UHFFFAOYSA-N	0	0	371.510	3.129	40	30		FGEBRN
COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccccc1Cl	ZINC000007891966	522003827	/nfs/dbraw/zinc/00/38/27/522003827.db2.gz	KAXKAUFBAAYVNC-ZVBGSRNCSA-N	0	0	356.769	3.042	40	30		FGEBRN
COC(=O)CC=C(Nc1cccc(OC)c1)C1C(=O)CC(C)(C)CC1=O	ZINC000001440368	522949738	/nfs/dbraw/zinc/94/97/38/522949738.db2.gz	PJHGHLBXQIVGAE-UHFFFAOYSA-N	0	0	359.422	3.273	40	30		FGEBRN
O=[N+]([O-])c1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000245232341	527346709	/nfs/dbraw/zinc/34/67/09/527346709.db2.gz	SSSRRPSNEAAEKL-UHFFFAOYSA-N	0	0	358.829	3.400	40	30		FGEBRN
CCC1N=NC(=S)N1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000408861652	570693332	/nfs/dbraw/zinc/69/33/32/570693332.db2.gz	UNBMAGGRRGVIEF-RQZCQDPDSA-N	0	0	357.395	3.488	40	30		FGEBRN
COc1cccc(/C=N/N2C(=O)CN(C(C)C)[C@H]2c2cccc(OC)c2)c1	ZINC000408975186	570705866	/nfs/dbraw/zinc/70/58/66/570705866.db2.gz	KCTNYQOVNKVXKH-XWRADEMYSA-N	0	0	367.449	3.289	40	30		FGEBRN
C=CCNC(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1	ZINC000408998899	570710244	/nfs/dbraw/zinc/71/02/44/570710244.db2.gz	JIAZMGNRFSJJBT-UHFFFAOYSA-N	0	0	354.435	3.273	40	30		FGEBRN
C=CCOc1ccc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)cc1	ZINC000012219394	210139644	/nfs/dbraw/zinc/13/96/44/210139644.db2.gz	MYIIAGSAZSRPQJ-UHFFFAOYSA-N	0	0	351.328	3.123	40	30		FGEBRN
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1	ZINC000223743430	222792767	/nfs/dbraw/zinc/79/27/67/222792767.db2.gz	OYOBLHDTVCTHFQ-UHFFFAOYSA-N	0	0	365.426	3.220	40	30		FGEBRN
CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N	ZINC000001355222	219397987	/nfs/dbraw/zinc/39/79/87/219397987.db2.gz	MVLLXZCCHNUTHM-NSHDSACASA-N	0	0	359.451	3.130	40	30		FGEBRN
Cc1nonc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N	ZINC000001354217	219398186	/nfs/dbraw/zinc/39/81/86/219398186.db2.gz	BPMYNUNMAFLYBZ-UHFFFAOYSA-N	0	0	353.407	3.146	40	30		FGEBRN
CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Cl	ZINC000061366440	212023988	/nfs/dbraw/zinc/02/39/88/212023988.db2.gz	UGYPKULUDTVPTN-UHFFFAOYSA-N	0	0	363.826	3.030	40	30		FGEBRN
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccn1	ZINC000013151556	220059931	/nfs/dbraw/zinc/05/99/31/220059931.db2.gz	FVZFWYUPXMZJJX-DLFJBECYSA-N	0	0	354.435	3.062	40	30		FGEBRN
O=[N+]([O-])c1ccc(C(Br)=NNc2ccc([N+](=O)[O-])cc2)o1	ZINC000013476067	220069292	/nfs/dbraw/zinc/06/92/92/220069292.db2.gz	UELKTEFIPOWQKY-SDNWHVSQSA-N	0	0	355.104	3.265	40	30		FGEBRN
N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccc(Cl)cc1	ZINC000016400669	211160885	/nfs/dbraw/zinc/16/08/85/211160885.db2.gz	ZOVHJCXEXDIBDF-CQSZACIVSA-N	0	0	358.188	3.459	40	30		FGEBRN
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCCCCCC[NH3+]	ZINC000015809947	211144741	/nfs/dbraw/zinc/14/47/41/211144741.db2.gz	BQKPZRONQZKFSZ-UHFFFAOYSA-N	0	0	358.483	3.115	40	30		FGEBRN
COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1O	ZINC000001436469	210353500	/nfs/dbraw/zinc/35/35/00/210353500.db2.gz	IZJXXNRTIRAMHV-REZTVBANSA-N	0	0	362.183	3.084	40	30		FGEBRN
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC	ZINC000007893752	263352392	/nfs/dbraw/zinc/35/23/92/263352392.db2.gz	RCZGCTSGAHQQDT-LICLKQGHSA-N	0	0	360.326	3.356	40	30		FGEBRN
C=CCN(c1ccc(C(=O)N(C)C2CCCCC2)cc1)S(C)(=O)=O	ZINC000030859534	263391037	/nfs/dbraw/zinc/39/10/37/263391037.db2.gz	IFYLTUPUBGOMFE-UHFFFAOYSA-N	0	0	350.484	3.043	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1	ZINC000000795002	493772501	/nfs/dbraw/zinc/77/25/01/493772501.db2.gz	VPGFXBBLAOOTDO-PBHICJAKSA-N	0	0	371.364	3.176	40	30		FGEBRN
CC[C@H](Sc1nc2c(cc1C#N)CCC2)C(=O)Nc1nnc(C)s1	ZINC000004619930	493884672	/nfs/dbraw/zinc/88/46/72/493884672.db2.gz	VYNFJGWVKKLIOS-ZDUSSCGKSA-N	0	0	359.480	3.111	40	30		FGEBRN
C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCC#N	ZINC000059104721	493902328	/nfs/dbraw/zinc/90/23/28/493902328.db2.gz	VSTRJGNACPCRIC-ROLOMRMFSA-N	0	0	371.462	3.248	40	30		FGEBRN
CN(C)/C=C(\C(=O)c1ccccc1F)c1nnnn1-c1ccc(Cl)cc1	ZINC000005719507	493940040	/nfs/dbraw/zinc/94/00/40/493940040.db2.gz	YMWPOFXJLNEBNH-RVDMUPIBSA-N	0	0	371.803	3.240	40	30		FGEBRN
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@@H]21	ZINC000033737234	494063253	/nfs/dbraw/zinc/06/32/53/494063253.db2.gz	MXGIYHZVIKLRKE-CZTZKLFOSA-N	0	0	355.478	3.420	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1	ZINC000010314512	494149524	/nfs/dbraw/zinc/14/95/24/494149524.db2.gz	OQYVQZHURRFSAS-UHFFFAOYSA-N	0	0	360.435	3.184	40	30		FGEBRN
BrC(Br)=NN=C(Br)Br	ZINC000044184458	494341738	/nfs/dbraw/zinc/34/17/38/494341738.db2.gz	XNKUMERQABYXHO-UHFFFAOYSA-N	0	0	371.652	3.193	40	30		FGEBRN
C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095676564	494989599	/nfs/dbraw/zinc/98/95/99/494989599.db2.gz	BCTGGJURYOEMFV-ZCFIWIBFSA-N	0	0	362.188	3.325	40	30		FGEBRN
C=CCN1C(=O)C(=Cc2cccn2-c2cccc(C)c2)C(=O)NC1=S	ZINC000096504869	495011749	/nfs/dbraw/zinc/01/17/49/495011749.db2.gz	SXLBMIVXSKIXBX-FOWTUZBSSA-N	0	0	351.431	3.439	40	30		FGEBRN
CCCCCCCCCCS(=O)(=O)N/N=C1/c2ccccc2NC1=O	ZINC000100945885	495066993	/nfs/dbraw/zinc/06/69/93/495066993.db2.gz	RIBOUKWJAMGFPQ-UHFFFAOYSA-N	0	0	365.499	3.403	40	30		FGEBRN
O=[N+]([O-])c1cc2c(cc1C=NNc1ccc(C(F)(F)F)cn1)OCO2	ZINC000198852726	496970894	/nfs/dbraw/zinc/97/08/94/496970894.db2.gz	CCAJHKIWPSFBKS-IPKBDRFQSA-N	0	0	354.244	3.183	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218454846	497002171	/nfs/dbraw/zinc/00/21/71/497002171.db2.gz	ICBYPOBNMXLKFT-QYZOEREBSA-N	0	0	359.422	3.230	40	30		FGEBRN
N#C[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000225641504	497069989	/nfs/dbraw/zinc/06/99/89/497069989.db2.gz	PWULOKMHANZEPC-IAOVAPTHSA-N	0	0	361.806	3.148	40	30		FGEBRN
N#C[C@@]1(C=O)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000252514069	497309312	/nfs/dbraw/zinc/30/93/12/497309312.db2.gz	BBVPMVVRZBBECS-ZACQAIPSSA-N	0	0	363.797	3.128	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1	ZINC000260715157	497406309	/nfs/dbraw/zinc/40/63/09/497406309.db2.gz	MAVLIWDBKGLKGH-OAHLLOKOSA-N	0	0	374.558	3.318	40	30		FGEBRN
CN(C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CCOCC1	ZINC000328668564	498897371	/nfs/dbraw/zinc/89/73/71/498897371.db2.gz	DSZKOPKWZJDLRS-GOSISDBHSA-N	0	0	359.470	3.077	40	30		FGEBRN
CCn1c2ccccc2nc1NN=Cc1ccc(OCC(=O)OC)cc1	ZINC000408692597	499593885	/nfs/dbraw/zinc/59/38/85/499593885.db2.gz	QGFLUHIISDWFKA-UDWIEESQSA-N	0	0	352.394	3.054	40	30		FGEBRN
O=[N+]([O-])c1ccc(NN=Cc2ccc(I)o2)cc1	ZINC000408995616	499595575	/nfs/dbraw/zinc/59/55/75/499595575.db2.gz	MNTSIQMRRWOZSB-NTUHNPAUSA-N	0	0	357.107	3.238	40	30		FGEBRN
CC(C)(C)OC(=O)N1CC(N[C@H](C#N)c2ccc(Br)s2)C1	ZINC000409440092	499596335	/nfs/dbraw/zinc/59/63/35/499596335.db2.gz	JOXADXSFWGREPN-SNVBAGLBSA-N	0	0	372.288	3.284	40	30		FGEBRN
C#CCOc1ccc(Cl)cc1/C=N/NCc1ccc(OC)c(OC)c1	ZINC000020196315	518326571	/nfs/dbraw/zinc/32/65/71/518326571.db2.gz	LUNJWQLTLQJDPL-LPYMAVHISA-N	0	0	358.825	3.493	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225032260	518812141	/nfs/dbraw/zinc/81/21/41/518812141.db2.gz	JLLIRMYXCJFAIX-UHFFFAOYSA-N	0	0	354.334	3.254	40	30		FGEBRN
CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000005640206	520176157	/nfs/dbraw/zinc/17/61/57/520176157.db2.gz	XIAROBJZBXPNKK-MNDPQUGUSA-N	0	0	362.451	3.105	40	30		FGEBRN
COc1cc(/C=N/OCC(=O)NC2CCCCC2)cc(Cl)c1OC	ZINC000005470340	521999880	/nfs/dbraw/zinc/99/98/80/521999880.db2.gz	OWRGAAFCHDSCOB-VXLYETTFSA-N	0	0	354.834	3.157	40	30		FGEBRN
Cc1ccc(CN2CCN(/N=C\c3cccc([N+](=O)[O-])c3)CC2)c(C)c1	ZINC000019791044	524455991	/nfs/dbraw/zinc/45/59/91/524455991.db2.gz	UEOWIYVGOTXFDR-STZFKDTASA-N	0	0	352.438	3.363	40	30		FGEBRN
Cn1cccc1CN=Nc1nnc(N=NCc2cccn2C)c2ccccc21	ZINC000016382536	527382636	/nfs/dbraw/zinc/38/26/36/527382636.db2.gz	BRORMYSBXQJDOC-JFMUQQRKSA-N	0	0	372.436	3.199	40	30		FGEBRN
C=CCOc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408933924	570701200	/nfs/dbraw/zinc/70/12/00/570701200.db2.gz	CEMMYWSOCLFPMP-GHRIWEEISA-N	0	0	364.426	3.083	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O	ZINC000409134058	570730601	/nfs/dbraw/zinc/73/06/01/570730601.db2.gz	VNGLUPRXBYKWIQ-MDWZMJQESA-N	0	0	350.802	3.215	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O	ZINC000409137888	570731574	/nfs/dbraw/zinc/73/15/74/570731574.db2.gz	ZISZXKVDWGVIRA-LDADJPATSA-N	0	0	352.365	3.483	40	30		FGEBRN
C=CCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	ZINC000409360675	570753325	/nfs/dbraw/zinc/75/33/25/570753325.db2.gz	QZVWHLJCSMSYDP-UHFFFAOYSA-N	0	0	358.463	3.031	40	30		FGEBRN
C=CCc1cc(C(=O)NCc2ccc(OC)c(OC)c2OC)ccc1OC	ZINC000218654156	210173973	/nfs/dbraw/zinc/17/39/73/210173973.db2.gz	WITHMJZWZQECCF-UHFFFAOYSA-N	0	0	371.433	3.380	40	30		FGEBRN
C=C(CC)C[C@H]1C[C@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	ZINC000032068388	210168547	/nfs/dbraw/zinc/16/85/47/210168547.db2.gz	DDETXFVRKGDIDT-LHSJRXKWSA-N	0	0	352.434	3.297	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1	ZINC000030863075	210167315	/nfs/dbraw/zinc/16/73/15/210167315.db2.gz	HIGRHCDJURLUAS-LJQANCHMSA-N	0	0	368.433	3.407	40	30		FGEBRN
C=CCOC[C@H]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc2ncccc2c1	ZINC000107257791	210140136	/nfs/dbraw/zinc/14/01/36/210140136.db2.gz	KBKQAEYDAQDQLY-BEVDRBHNSA-N	0	0	352.434	3.057	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1	ZINC000064476726	210097383	/nfs/dbraw/zinc/09/73/83/210097383.db2.gz	FRBFZVDPZNBESJ-UHFFFAOYSA-N	0	0	362.476	3.125	40	30		FGEBRN
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc2ncccc2c1	ZINC000096249951	210094755	/nfs/dbraw/zinc/09/47/55/210094755.db2.gz	FSDOJDMOPZEXAH-DFQSSKMNSA-N	0	0	352.434	3.057	40	30		FGEBRN
Cc1nonc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N	ZINC000001354472	219398348	/nfs/dbraw/zinc/39/83/48/219398348.db2.gz	CAPSQNBXQJVCGI-UHFFFAOYSA-N	0	0	353.407	3.146	40	30		FGEBRN
Cc1ccc(C(=NC(=S)N2CCOCC2)NC=C(Cl)Cl)cc1	ZINC000005277245	210612596	/nfs/dbraw/zinc/61/25/96/210612596.db2.gz	XBESBEHFUWZAGJ-UHFFFAOYSA-N	0	0	358.294	3.225	40	30		FGEBRN
COc1ccc([C@@]2(C)NC(=O)N(N=CC3=CC[C@H]4C[C@@H]3C4(C)C)C2=O)cc1	ZINC000020935247	220345696	/nfs/dbraw/zinc/34/56/96/220345696.db2.gz	WLTAYVJOTRVOHA-NKOQVRSASA-N	0	0	367.449	3.440	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(C(F)(F)F)n1	ZINC000225926034	132250055	/nfs/dbraw/zinc/25/00/55/132250055.db2.gz	VYBHSCSUASXKLI-SNVBAGLBSA-N	0	0	359.421	3.204	40	30		FGEBRN
CS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Br)cc1	ZINC000096532089	222124131	/nfs/dbraw/zinc/12/41/31/222124131.db2.gz	UGPJGMDAKACDAR-UHFFFAOYSA-N	0	0	357.254	3.035	40	30		FGEBRN
CO/C(=N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC	ZINC000102947355	222315150	/nfs/dbraw/zinc/31/51/50/222315150.db2.gz	UHNRHGZAKPZESV-XTCPURHUSA-N	0	0	362.476	3.496	40	30		FGEBRN
COc1ccc(/C=N\N=C2\S[C@@H](C)C(=O)N2Cc2ccco2)c(OC)c1	ZINC000009189573	263360067	/nfs/dbraw/zinc/36/00/67/263360067.db2.gz	CZYKRHNTVYQSHZ-SMJZRYTCSA-N	0	0	373.434	3.151	40	30		FGEBRN
CCCC[C@@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871836	493859399	/nfs/dbraw/zinc/85/93/99/493859399.db2.gz	PGGUOGKHUUUWAF-ZWKOTPCHSA-N	0	0	362.470	3.201	40	30		FGEBRN
C=CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC	ZINC000058865702	493889387	/nfs/dbraw/zinc/88/93/87/493889387.db2.gz	QHQQTBFQYSKUEV-UHFFFAOYSA-N	0	0	358.390	3.404	40	30		FGEBRN
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(SC)cc1)CC(=O)N2	ZINC000004944373	493903012	/nfs/dbraw/zinc/90/30/12/493903012.db2.gz	JMHIXIVIBVSFOL-GFCCVEGCSA-N	0	0	359.476	3.244	40	30		FGEBRN
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1nccs1	ZINC000004957285	493903724	/nfs/dbraw/zinc/90/37/24/493903724.db2.gz	ZJUFIOPCZNDRNU-GQDWROFLSA-N	0	0	360.464	3.123	40	30		FGEBRN
COC(=O)CSc1[nH]c2nc(C)nc(Nc3ccccc3)c2c1C#N	ZINC000005551925	493934309	/nfs/dbraw/zinc/93/43/09/493934309.db2.gz	ZJCQUMQRLSYNPD-UHFFFAOYSA-N	0	0	353.407	3.147	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(Br)c(OC(C)C)c(OC)c1	ZINC000006594445	493969045	/nfs/dbraw/zinc/96/90/45/493969045.db2.gz	DHSMEEKXHLKSPF-CAOOACKPSA-N	0	0	374.304	3.063	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2cccc(C)c2)c(OC)c1	ZINC000007602033	494029253	/nfs/dbraw/zinc/02/92/53/494029253.db2.gz	DAODCFXVAVABRA-UHFFFAOYSA-N	0	0	365.437	3.367	40	30		FGEBRN
COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC	ZINC000033816271	494063248	/nfs/dbraw/zinc/06/32/48/494063248.db2.gz	VEICJBHTYKFGKB-KGENOOAVSA-N	0	0	356.422	3.300	40	30		FGEBRN
S=C(N/N=C\c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2	ZINC000035352092	494074961	/nfs/dbraw/zinc/07/49/61/494074961.db2.gz	PJYGFKSNBLSRAC-JMIUGGIZSA-N	0	0	357.479	3.182	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N/N=C2\CCCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000035772342	494081359	/nfs/dbraw/zinc/08/13/59/494081359.db2.gz	JEWLXGQQPYKPEU-HTXNQAPBSA-N	0	0	373.434	3.312	40	30		FGEBRN
C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1	ZINC000008480817	494093026	/nfs/dbraw/zinc/09/30/26/494093026.db2.gz	GPOZVRUPPJIILA-UHFFFAOYSA-N	0	0	369.373	3.077	40	30		FGEBRN
N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccncc2)n1	ZINC000008512721	494095278	/nfs/dbraw/zinc/09/52/78/494095278.db2.gz	OMHYCIVULCPTSJ-UHFFFAOYSA-N	0	0	370.825	3.123	40	30		FGEBRN
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1	ZINC000008810331	494105075	/nfs/dbraw/zinc/10/50/75/494105075.db2.gz	TZCSRJDMPQQBKV-UHFFFAOYSA-N	0	0	368.817	3.196	40	30		FGEBRN
O=S(=O)(O[C@H]1CCC[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1	ZINC000043761612	494316989	/nfs/dbraw/zinc/31/69/89/494316989.db2.gz	IZAVBPZBIXFOJK-UBHSHLNASA-N	0	0	361.257	3.255	40	30		FGEBRN
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1	ZINC000216776748	496991554	/nfs/dbraw/zinc/99/15/54/496991554.db2.gz	TWTYPLKDERUECH-NRFANRHFSA-N	0	0	359.433	3.038	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218450214	497002776	/nfs/dbraw/zinc/00/27/76/497002776.db2.gz	STTNTPUHXVNITG-GBESFXJTSA-N	0	0	359.422	3.230	40	30		FGEBRN
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	ZINC000218566309	497003506	/nfs/dbraw/zinc/00/35/06/497003506.db2.gz	TZOXLYWSBQZBJQ-OKZBNKHCSA-N	0	0	360.866	3.063	40	30		FGEBRN
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218547535	497003643	/nfs/dbraw/zinc/00/36/43/497003643.db2.gz	CWPUUSLREALRNV-KZNAEPCWSA-N	0	0	359.834	3.297	40	30		FGEBRN
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000223730644	497042261	/nfs/dbraw/zinc/04/22/61/497042261.db2.gz	LPBUOUPYOJQEKB-UHFFFAOYSA-N	0	0	374.462	3.031	40	30		FGEBRN
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225655695	497070998	/nfs/dbraw/zinc/07/09/98/497070998.db2.gz	IGBIWGLJVMEBNC-KURKYZTESA-N	0	0	361.850	3.090	40	30		FGEBRN
COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1	ZINC000225776421	497075137	/nfs/dbraw/zinc/07/51/37/497075137.db2.gz	PODUDHZNDQHJJF-UHFFFAOYSA-N	0	0	354.381	3.393	40	30		FGEBRN
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(CC(C)C)n2)c1	ZINC000225893590	497078676	/nfs/dbraw/zinc/07/86/76/497078676.db2.gz	OCAJMDKEIPMCKW-UHFFFAOYSA-N	0	0	356.451	3.208	40	30		FGEBRN
COc1ccc([C@@H]2[C@H](C=O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000252514242	497309180	/nfs/dbraw/zinc/30/91/80/497309180.db2.gz	BKBNHTNUGHKWSB-GVDBMIGSSA-N	0	0	350.823	3.103	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000252516489	497309687	/nfs/dbraw/zinc/30/96/87/497309687.db2.gz	STTNTPUHXVNITG-IPMKNSEASA-N	0	0	359.422	3.230	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000242701869	497355362	/nfs/dbraw/zinc/35/53/62/497355362.db2.gz	WOPVTRZZWMQKRO-RCCFBDPRSA-N	0	0	361.850	3.436	40	30		FGEBRN
Cn1c2cc(/C=C3/Sc4ccccc4C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408532029	499591561	/nfs/dbraw/zinc/59/15/61/499591561.db2.gz	NCQOFPLVMACYIC-LZYBPNLTSA-N	0	0	367.386	3.115	40	30		FGEBRN
N#Cc1ccccc1Cn1cc([C@@H]2[NH2+]C[C@@H](C(=O)[O-])S2)c2ccccc21	ZINC000408979511	499595390	/nfs/dbraw/zinc/59/53/90/499595390.db2.gz	RFLYFXKQCVNJQT-RBUKOAKNSA-N	0	0	363.442	3.349	40	30		FGEBRN
COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1OC(C)C	ZINC000409012271	499595435	/nfs/dbraw/zinc/59/54/35/499595435.db2.gz	PXSKARYLBXTBLO-XDHOZWIPSA-N	0	0	362.451	3.103	40	30		FGEBRN
N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccccn3)n2)cn1	ZINC000585293003	507585709	/nfs/dbraw/zinc/58/57/09/507585709.db2.gz	BQTFHVKFMKGHHG-IBGZPJMESA-N	0	0	357.421	3.219	40	30		FGEBRN
C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(F)cc1	ZINC000224909943	518813809	/nfs/dbraw/zinc/81/38/09/518813809.db2.gz	LXQZQYDVWUFZSP-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1	ZINC000020062742	519039705	/nfs/dbraw/zinc/03/97/05/519039705.db2.gz	UHJHOTVOPZTAFM-UHFFFAOYSA-N	0	0	360.435	3.265	40	30		FGEBRN
CN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)S/C1=N\c1ccccc1	ZINC000013151551	523724346	/nfs/dbraw/zinc/72/43/46/523724346.db2.gz	HORRHAYTGMQHEF-BSBNDGSWSA-N	0	0	359.495	3.335	40	30		FGEBRN
COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408890289	570695151	/nfs/dbraw/zinc/69/51/51/570695151.db2.gz	QWTSYMRPTXMHJW-AWQFTUOYSA-N	0	0	363.870	3.403	40	30		FGEBRN
C#CCOc1c(Cl)cc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O	ZINC000409080570	570719962	/nfs/dbraw/zinc/71/99/62/570719962.db2.gz	LRJWSNMGQFWQIE-WUXMJOGZSA-N	0	0	369.229	3.112	40	30		FGEBRN
O=C1CSC(=S)N1/N=C\c1ccccc1OCCOc1ccccc1	ZINC000409328711	570750369	/nfs/dbraw/zinc/75/03/69/570750369.db2.gz	AGAVPQDDIVVXBY-UNOMPAQXSA-N	0	0	372.471	3.339	40	30		FGEBRN
CC(C)[C@@H](CO)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccncc2)n1	ZINC000328965211	210126984	/nfs/dbraw/zinc/12/69/84/210126984.db2.gz	CAKRFVUXIKXMGB-LJQANCHMSA-N	0	0	374.448	3.005	40	30		FGEBRN
CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2cccnc2)n1	ZINC000328972641	210127036	/nfs/dbraw/zinc/12/70/36/210127036.db2.gz	DWRUBYWKUVOFON-CYBMUJFWSA-N	0	0	362.412	3.347	40	30		FGEBRN
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2	ZINC000096229924	210095527	/nfs/dbraw/zinc/09/55/27/210095527.db2.gz	QQCVEAFXGBJGHL-QFIPXVFZSA-N	0	0	363.461	3.408	40	30		FGEBRN
N#Cc1ccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)cnc4[C@@H]3C2)cc1	ZINC000306141602	210057993	/nfs/dbraw/zinc/05/79/93/210057993.db2.gz	WBUWTWPEAVGOSF-RTBURBONSA-N	0	0	369.428	3.076	40	30		FGEBRN
N#Cc1cc(N)c(N2CCOCC2)n1Cc1ccc(Cl)cc1Cl	ZINC000225868776	222877266	/nfs/dbraw/zinc/87/72/66/222877266.db2.gz	XLBBEOOPEXJSLE-UHFFFAOYSA-N	0	0	351.237	3.134	40	30		FGEBRN
C=CCNC(=O)/C(=C\c1ccc(OCC)cc1)NC(=O)c1ccccc1	ZINC000013550031	220073784	/nfs/dbraw/zinc/07/37/84/220073784.db2.gz	LJCWUPJXXIYXSP-XDJHFCHBSA-N	0	0	350.418	3.158	40	30		FGEBRN
C=C[C@]1(C)C[C@](O)([C@@H]2OC2(C)C)Oc2c3c(CC)cccc3oc(=O)c21	ZINC000015204723	220149756	/nfs/dbraw/zinc/14/97/56/220149756.db2.gz	CLSJUQWISAXGNX-HMXCVIKNSA-N	0	0	356.418	3.448	40	30	biogenic,in-vitro	FGEBRN
Cc1nc(NC2=NCN([C@@H]3CCC[C@H](C)[C@@H]3C)CN2)nc2ccccc12	ZINC000037100458	211019907	/nfs/dbraw/zinc/01/99/07/211019907.db2.gz	HSZAZYDQEZJAEE-SUNYJGFJSA-N	0	0	352.486	3.160	40	30		FGEBRN
CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1	ZINC000001099892	210317064	/nfs/dbraw/zinc/31/70/64/210317064.db2.gz	GQNNRDHDQKMSDP-WJDWOHSUSA-N	0	0	353.374	3.447	40	30		FGEBRN
C=CCOc1c(Cl)cc(CNn2c(CC)n[nH]c2=S)cc1OC	ZINC000008339043	263354055	/nfs/dbraw/zinc/35/40/55/263354055.db2.gz	GGDXLODIEFZELH-UHFFFAOYSA-N	0	0	354.863	3.474	40	30		FGEBRN
COc1ccc([C@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)n2)cc1	ZINC000008558915	263356176	/nfs/dbraw/zinc/35/61/76/263356176.db2.gz	PCUUKCGLXLEJDZ-IBGZPJMESA-N	0	0	350.422	3.175	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC	ZINC000020763040	263382354	/nfs/dbraw/zinc/38/23/54/263382354.db2.gz	AEGQQINKPYOYJM-CIAFOILYSA-N	0	0	358.825	3.493	40	30		FGEBRN
COc1ccccc1CN/N=C/c1cc2c(cc1Br)OCO2	ZINC000020762271	263382478	/nfs/dbraw/zinc/38/24/78/263382478.db2.gz	ZWLXCUTXRIKCGE-DJKKODMXSA-N	0	0	363.211	3.310	40	30		FGEBRN
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1	ZINC000004935387	493902026	/nfs/dbraw/zinc/90/20/26/493902026.db2.gz	NLEGJIRLCJVKOT-UHFFFAOYSA-N	0	0	354.366	3.478	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(CC)cc1	ZINC000004944643	493902474	/nfs/dbraw/zinc/90/24/74/493902474.db2.gz	PPQQPDKEINWLFO-CQSZACIVSA-N	0	0	355.463	3.095	40	30		FGEBRN
C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc31)CC(=O)N2	ZINC000004944296	493902702	/nfs/dbraw/zinc/90/27/02/493902702.db2.gz	JXSPUXPRCNLMAF-OAHLLOKOSA-N	0	0	361.426	3.123	40	30		FGEBRN
NC(=S)N/N=C1/c2cc(Cl)ccc2-c2c1cc(Cl)cc2[N+](=O)[O-]	ZINC000004975116	493905046	/nfs/dbraw/zinc/90/50/46/493905046.db2.gz	NPHZXJBRYUAQDC-AQTBWJFISA-N	0	0	367.217	3.468	40	30		FGEBRN
C[C@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccco1)O2	ZINC000005054559	493910993	/nfs/dbraw/zinc/91/09/93/493910993.db2.gz	IDFLOTIBAMZFNZ-DUPRYPCISA-N	0	0	358.357	3.402	40	30		FGEBRN
COc1cc(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000006500610	493965159	/nfs/dbraw/zinc/96/51/59/493965159.db2.gz	CHHBHMTYFVQHBC-RQZCQDPDSA-N	0	0	360.326	3.275	40	30		FGEBRN
CCCCCCCCCCCCN1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000100839266	495066354	/nfs/dbraw/zinc/06/63/54/495066354.db2.gz	IQAUHVSHMRQVHY-HOTGVXAUSA-N	0	0	360.589	3.263	40	30		FGEBRN
COCCOC(=O)C(OC1=CC(=O)C[C@H](c2ccccc2C)C1)C(C)=O	ZINC000112116241	495144685	/nfs/dbraw/zinc/14/46/85/495144685.db2.gz	ZUVZQBDICXYFGL-FHHIAAGZSA-N	0	0	360.406	3.321	40	30		FGEBRN
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	ZINC000216769121	496992380	/nfs/dbraw/zinc/99/23/80/496992380.db2.gz	AMCZWAIMLDSWMI-OAQYLSRUSA-N	0	0	359.433	3.296	40	30		FGEBRN
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	ZINC000218115603	497000065	/nfs/dbraw/zinc/00/00/65/497000065.db2.gz	XWKDDDIBWIFTLI-IAGOWNOFSA-N	0	0	372.833	3.322	40	30		FGEBRN
COc1ccc([C@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218127447	497001100	/nfs/dbraw/zinc/00/11/00/497001100.db2.gz	BKBNHTNUGHKWSB-ULQDDVLXSA-N	0	0	350.823	3.103	40	30		FGEBRN
COc1ccc(CNC(=S)Nc2ccc(CC#N)cc2)c(OC)c1OC	ZINC000225525877	497066258	/nfs/dbraw/zinc/06/62/58/497066258.db2.gz	CEDBXCJCYCJVDC-UHFFFAOYSA-N	0	0	371.462	3.265	40	30		FGEBRN
COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1	ZINC000253616987	497347091	/nfs/dbraw/zinc/34/70/91/497347091.db2.gz	NBXUPSZCJXZRSP-UHFFFAOYSA-N	0	0	354.435	3.442	40	30		FGEBRN
CCCC(NC)=C1C(=O)C[C@H](C[C@H](C)SCC)[C@H](C(=O)OCC)C1=O	ZINC000254397977	497348337	/nfs/dbraw/zinc/34/83/37/497348337.db2.gz	GDYKIPWWXDATPK-KIWRYXACSA-N	0	0	369.527	3.129	40	30		FGEBRN
CCc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3)CC2)n1	ZINC000256047700	497382524	/nfs/dbraw/zinc/38/25/24/497382524.db2.gz	OAPWADCSWMRYMX-UHFFFAOYSA-N	0	0	358.449	3.028	40	30		FGEBRN
CN(C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)C1CCOCC1	ZINC000328668567	498897001	/nfs/dbraw/zinc/89/70/01/498897001.db2.gz	DSZKOPKWZJDLRS-SFHVURJKSA-N	0	0	359.470	3.077	40	30		FGEBRN
CCNc1nc(C(F)(F)F)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1	ZINC000329002231	499011804	/nfs/dbraw/zinc/01/18/04/499011804.db2.gz	KGYRHZFQWIWEDC-UHFFFAOYSA-N	0	0	369.244	3.345	40	30		FGEBRN
C[C@H]1c2ncc(CCOCC3CC3)n2CCN1Cc1ccccc1C#N	ZINC000585098717	507565735	/nfs/dbraw/zinc/56/57/35/507565735.db2.gz	XWCMSQIISIKGHN-INIZCTEOSA-N	0	0	350.466	3.301	40	30		FGEBRN
C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)cc1	ZINC000224865099	518804945	/nfs/dbraw/zinc/80/49/45/518804945.db2.gz	ZMMUFDMUZTXADJ-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225074148	518812877	/nfs/dbraw/zinc/81/28/77/518812877.db2.gz	HHODJVMYRRYQQK-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(F)cc1	ZINC000224918169	518814319	/nfs/dbraw/zinc/81/43/19/518814319.db2.gz	OAKDLRJWUORVAL-UHFFFAOYSA-N	0	0	363.410	3.302	40	30		FGEBRN
C=CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccncc1	ZINC000001225109	519201281	/nfs/dbraw/zinc/20/12/81/519201281.db2.gz	NVTREGWYEKHNEN-AWEZNQCLSA-N	0	0	357.483	3.019	40	30		FGEBRN
CN1C(=O)[C@H](CC(=O)NCC2CCCCC2)S/C1=N\c1ccccc1	ZINC000017858950	523725575	/nfs/dbraw/zinc/72/55/75/523725575.db2.gz	HORRHAYTGMQHEF-XOMICKMZSA-N	0	0	359.495	3.335	40	30		FGEBRN
COc1ccc(CN/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC	ZINC000216055756	568103022	/nfs/dbraw/zinc/10/30/22/568103022.db2.gz	SZQKSUNVIQGTPJ-UDWIEESQSA-N	0	0	359.382	3.134	40	30		FGEBRN
O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(N2CCOCC2)o1	ZINC000408864624	570693798	/nfs/dbraw/zinc/69/37/98/570693798.db2.gz	XOVBZTWUVVTZSB-PTNGSMBKSA-N	0	0	373.409	3.147	40	30		FGEBRN
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(F)cc2)S1	ZINC000409091338	570722046	/nfs/dbraw/zinc/72/20/46/570722046.db2.gz	PNIQYTDSOFFMGG-RAXLEYEMSA-N	0	0	363.410	3.174	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1	ZINC000409143284	570732422	/nfs/dbraw/zinc/73/24/22/570732422.db2.gz	MPDODLXMDAFRPL-UHFFFAOYSA-N	0	0	370.474	3.483	40	30		FGEBRN
C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O	ZINC000409229463	570742176	/nfs/dbraw/zinc/74/21/76/570742176.db2.gz	PJGJLEVYVKPGBP-GPLLRDDGSA-N	0	0	374.462	3.143	40	30		FGEBRN
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1	ZINC000409382638	570754555	/nfs/dbraw/zinc/75/45/55/570754555.db2.gz	WDYGIAMKLNVTII-UHFFFAOYSA-N	0	0	358.463	3.328	40	30		FGEBRN
O=C1CSC(=S)N1/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O	ZINC000409384155	570754886	/nfs/dbraw/zinc/75/48/86/570754886.db2.gz	BOFHCWXKBYFFST-HQYXKAPLSA-N	0	0	373.242	3.294	40	30		FGEBRN
C=CCOc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1	ZINC000013717386	210144445	/nfs/dbraw/zinc/14/44/45/210144445.db2.gz	NTJIWIWAADBDTG-UHFFFAOYSA-N	0	0	364.401	3.266	40	30		FGEBRN
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1	ZINC000006855323	210089673	/nfs/dbraw/zinc/08/96/73/210089673.db2.gz	VEBJUJMPWMDUCD-IBGZPJMESA-N	0	0	361.401	3.090	40	30		FGEBRN
COc1ccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)cc1	ZINC000225841538	222874262	/nfs/dbraw/zinc/87/42/62/222874262.db2.gz	JXQBWDPBXPBNDB-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1Cl	ZINC000004944598	219629573	/nfs/dbraw/zinc/62/95/73/219629573.db2.gz	GAPXYBVTFCDIIU-NSHDSACASA-N	0	0	361.854	3.186	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1OC	ZINC000005016765	219640667	/nfs/dbraw/zinc/64/06/67/219640667.db2.gz	XKWHYBAFEGLIMX-UKTHLTGXSA-N	0	0	357.749	3.298	40	30		FGEBRN
Cn1c2ccccc2sc1=NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21	ZINC000012528938	220002722	/nfs/dbraw/zinc/00/27/22/220002722.db2.gz	USKPZTRSIWZLMW-KNTRCKAVSA-N	0	0	353.363	3.055	40	30		FGEBRN
CC1=CC(=O)[C@@H]2[C@H](/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@@H]2CC1	ZINC000059811491	212017887	/nfs/dbraw/zinc/01/78/87/212017887.db2.gz	QLAPPSIXOBEVQR-YZDBRTMNSA-N	0	0	366.373	3.465	40	30		FGEBRN
CCc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000018037341	220222377	/nfs/dbraw/zinc/22/23/77/220222377.db2.gz	UORKTBQCDCUYHP-GOSISDBHSA-N	0	0	367.401	3.132	40	30		FGEBRN
CCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(C)=O	ZINC000036624092	211131500	/nfs/dbraw/zinc/13/15/00/211131500.db2.gz	AGUQPWNDMZRLAF-CQSZACIVSA-N	0	0	353.216	3.065	40	30		FGEBRN
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)cc1	ZINC000004124041	210511355	/nfs/dbraw/zinc/51/13/55/210511355.db2.gz	YXMDIQCDLJBXNR-ARARYSNRSA-N	0	0	351.450	3.064	40	30		FGEBRN
C=CCN1c2ccccc2N[C@H]2[C@H]1[C@H](C(C)=O)C(=O)N2c1ccc(C)cc1	ZINC000004628920	132306121	/nfs/dbraw/zinc/30/61/21/132306121.db2.gz	VWGVBEZKZHABEQ-PWRODBHTSA-N	0	0	361.445	3.360	40	30		FGEBRN
CC(=O)O[C@]1(C)C=Cc2ccccc2/C1=N\S(=O)(=O)c1ccccc1	ZINC000103124159	222321589	/nfs/dbraw/zinc/32/15/89/222321589.db2.gz	IYGVTMMSYMSKCH-LFVOPCPISA-N	0	0	355.415	3.213	40	30		FGEBRN
CC(=O)/C(=C\NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1C	ZINC000104301791	222355634	/nfs/dbraw/zinc/35/56/34/222355634.db2.gz	OOAWRECCBIWELN-FOWTUZBSSA-N	0	0	353.447	3.393	40	30		FGEBRN
N#Cc1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000005387538	263340996	/nfs/dbraw/zinc/34/09/96/263340996.db2.gz	HVUCHTMBYMSTOR-UHFFFAOYSA-N	0	0	353.363	3.074	40	30		FGEBRN
COc1ccc(/C=N/OCC(=O)OCC(=O)c2ccc(SC)cc2)cc1	ZINC000021971433	263384738	/nfs/dbraw/zinc/38/47/38/263384738.db2.gz	HFLPRSNLECLZJQ-RGVLZGJSSA-N	0	0	373.430	3.194	40	30		FGEBRN
C=CCN1C(=O)/C(=C\c2ccc(O)cc2)C(=O)N(c2ccccc2)C1=S	ZINC000408730985	263492140	/nfs/dbraw/zinc/49/21/40/263492140.db2.gz	XJMGJQLJYLFXCD-GHRIWEEISA-N	0	0	364.426	3.122	40	30		FGEBRN
COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(NC(C)=O)cc1	ZINC000409234011	263544402	/nfs/dbraw/zinc/54/44/02/263544402.db2.gz	XQZABDIVRMBEGM-KGENOOAVSA-N	0	0	353.422	3.241	40	30		FGEBRN
CCCC[C@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871839	493859301	/nfs/dbraw/zinc/85/93/01/493859301.db2.gz	PGGUOGKHUUUWAF-MSOLQXFVSA-N	0	0	362.470	3.201	40	30		FGEBRN
COc1cccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1	ZINC000004860022	493896871	/nfs/dbraw/zinc/89/68/71/493896871.db2.gz	WNNKDNBPUPCCPU-SMOSDQRPSA-N	0	0	362.389	3.204	40	30		FGEBRN
COc1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	ZINC000005661403	493939090	/nfs/dbraw/zinc/93/90/90/493939090.db2.gz	HHHMFGQIDQYVHM-RGVLZGJSSA-N	0	0	354.797	3.341	40	30		FGEBRN
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1	ZINC000006235023	493955608	/nfs/dbraw/zinc/95/56/08/493955608.db2.gz	WOLARBLBJSTQEK-UHFFFAOYSA-N	0	0	358.463	3.328	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1	ZINC000007899978	494050410	/nfs/dbraw/zinc/05/04/10/494050410.db2.gz	RNPOOETYEDSCSG-VCHYOVAHSA-N	0	0	352.310	3.135	40	30		FGEBRN
C#CCOc1c(Br)cc(C(=S)N2CCCC2)cc1OC	ZINC000033627959	494061912	/nfs/dbraw/zinc/06/19/12/494061912.db2.gz	WWFWRZSKONALLF-UHFFFAOYSA-N	0	0	354.269	3.241	40	30		FGEBRN
COc1cc(C2=NOC(=O)/C2=C\c2sccc2C)cc(OC)c1OC	ZINC000012463202	494234577	/nfs/dbraw/zinc/23/45/77/494234577.db2.gz	KPRGUWLRAIDVCO-XFXZXTDPSA-N	0	0	359.403	3.427	40	30	biogenic,in-vitro	FGEBRN
COc1ccc(/C=N\OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	ZINC000013633733	494291647	/nfs/dbraw/zinc/29/16/47/494291647.db2.gz	FJGRUQUCQGWAHF-NHDPSOOVSA-N	0	0	369.446	3.496	40	30		FGEBRN
CC(C)n1c2cc(C(=O)NCCC#N)n(C(=O)N(C)C)c2c2ccccc21	ZINC000096037392	494997751	/nfs/dbraw/zinc/99/77/51/494997751.db2.gz	WSMVHLFZAJFQGA-UHFFFAOYSA-N	0	0	365.437	3.350	40	30		FGEBRN
COC(=O)[C@H]1CC[C@H]2[C@]34CCC5=CC(=O)CC[C@@]5([C@H]3CC[C@@]21C)[C@@H](OC)O4	ZINC000119225403	495121334	/nfs/dbraw/zinc/12/13/34/495121334.db2.gz	RWKSXLXAGGNKPV-QDSDANQYSA-N	0	0	374.477	3.413	40	30		FGEBRN
COCCOC(=O)C(OC1=CC(=O)C[C@@H](c2ccccc2C)C1)C(C)=O	ZINC000112116243	495144764	/nfs/dbraw/zinc/14/47/64/495144764.db2.gz	ZUVZQBDICXYFGL-WBFOAEISSA-N	0	0	360.406	3.321	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218471452	497002214	/nfs/dbraw/zinc/00/22/14/497002214.db2.gz	HITWJLUVHAKRPZ-QYZOEREBSA-N	0	0	359.422	3.312	40	30		FGEBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1	ZINC000218519426	497003913	/nfs/dbraw/zinc/00/39/13/497003913.db2.gz	CLMHGDADCKOMCX-VAMGGRTRSA-N	0	0	353.443	3.206	40	30		FGEBRN
C=CCN(c1ccc(C(=O)Nc2cccc(COC)c2)cc1)S(C)(=O)=O	ZINC000223924788	497045439	/nfs/dbraw/zinc/04/54/39/497045439.db2.gz	MEGAIQQGDMCNGB-UHFFFAOYSA-N	0	0	374.462	3.037	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225007452	497055344	/nfs/dbraw/zinc/05/53/44/497055344.db2.gz	BRAVRULHPHERTD-UHFFFAOYSA-N	0	0	354.334	3.254	40	30		FGEBRN
N#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3ccccc3)CC1)O2	ZINC000225823652	497077660	/nfs/dbraw/zinc/07/76/60/497077660.db2.gz	LAIZQHWWXORLDN-UHFFFAOYSA-N	0	0	360.413	3.127	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1C(F)(F)F	ZINC000225953459	497079457	/nfs/dbraw/zinc/07/94/57/497079457.db2.gz	HFDZDZSBAJBCLY-UHFFFAOYSA-N	0	0	359.300	3.382	40	30		FGEBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1	ZINC000252516542	497309768	/nfs/dbraw/zinc/30/97/68/497309768.db2.gz	TZOXLYWSBQZBJQ-KURKYZTESA-N	0	0	360.866	3.063	40	30		FGEBRN
CCOC(=O)[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000242495304	497354688	/nfs/dbraw/zinc/35/46/88/497354688.db2.gz	FZWCZLYJFXVTEJ-QWFCFKBJSA-N	0	0	369.442	3.008	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000242722949	497355758	/nfs/dbraw/zinc/35/57/58/497355758.db2.gz	XZIFXFOCGAOULE-GUDVDZBRSA-N	0	0	359.422	3.312	40	30		FGEBRN
CC[C@H](C)n1ncc(NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1C	ZINC000330144455	498039455	/nfs/dbraw/zinc/03/94/55/498039455.db2.gz	ZOKJAXROXKHHDB-HOCLYGCPSA-N	0	0	371.489	3.256	40	30		FGEBRN
COc1ccc(Br)cc1CN=Nc1ncccc1[N+](=O)[O-]	ZINC000409099095	499595823	/nfs/dbraw/zinc/59/58/23/499595823.db2.gz	QDCMMVMTDVLCNX-LZYBPNLTSA-N	0	0	351.160	3.207	40	30		FGEBRN
C[C@@H]1c2ncc(CCOCC3CC3)n2CCN1Cc1ccccc1C#N	ZINC000585098718	507566354	/nfs/dbraw/zinc/56/63/54/507566354.db2.gz	XWCMSQIISIKGHN-MRXNPFEDSA-N	0	0	350.466	3.301	40	30		FGEBRN
Cn1ccc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)n1	ZINC000585294015	507587674	/nfs/dbraw/zinc/58/76/74/507587674.db2.gz	MUSNBRDWMOWESI-UHFFFAOYSA-N	0	0	373.464	3.205	40	30		FGEBRN
C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)cc1	ZINC000224865490	518817362	/nfs/dbraw/zinc/81/73/62/518817362.db2.gz	PZCDLRPZUQOPOH-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
CCOC(=O)C(=O)/C=C/[C@@H]1[C@H](C)CC=C[C@@H]1NC(=O)OCc1ccccc1	ZINC000006891626	520403584	/nfs/dbraw/zinc/40/35/84/520403584.db2.gz	DSVLISNTLNSKSI-ILVVHCEBSA-N	0	0	371.433	3.182	40	30		FGEBRN
COc1cccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1O	ZINC000016677830	525775891	/nfs/dbraw/zinc/77/58/91/525775891.db2.gz	WNZKBKQWHZIYEZ-BKUYFWCQSA-N	0	0	359.857	3.206	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(CC)C2=O)cc1Cl	ZINC000409004523	570711345	/nfs/dbraw/zinc/71/13/45/570711345.db2.gz	BKBSQAKLAQWWSJ-WQLSENKSSA-N	0	0	355.246	3.083	40	30		FGEBRN
C=CCOc1ccc(/C=C2/NC(=O)N(CC=C)C2=O)cc1Br	ZINC000409130659	570730594	/nfs/dbraw/zinc/73/05/94/570730594.db2.gz	XEPDFMSXHPBRKF-JLHYYAGUSA-N	0	0	363.211	3.093	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O	ZINC000409140028	570731737	/nfs/dbraw/zinc/73/17/37/570731737.db2.gz	PPFGCAMUKCAVHU-GXDHUFHOSA-N	0	0	353.334	3.242	40	30		FGEBRN
CCOc1cc(C=NN2C(=O)CSC2=S)ccc1O[C@H](C)CC	ZINC000409346790	570752117	/nfs/dbraw/zinc/75/21/17/570752117.db2.gz	OOXSMDCMWDLPAN-JWHLFPLYSA-N	0	0	352.481	3.457	40	30		FGEBRN
C=C(C)CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1	ZINC000028051478	210164246	/nfs/dbraw/zinc/16/42/46/210164246.db2.gz	JVUXQVHPGPCODT-UHFFFAOYSA-N	0	0	362.429	3.280	40	30		FGEBRN
C=CCn1ncc(CN2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1C	ZINC000019554421	210156071	/nfs/dbraw/zinc/15/60/71/210156071.db2.gz	WBHOPMBYZZEXHQ-FXAWDEMLSA-N	0	0	364.497	3.030	40	30		FGEBRN
CC(C)[C@H](CO)Nc1nc(Nc2ccccc2C#N)cc(-c2ccccn2)n1	ZINC000329054150	210132753	/nfs/dbraw/zinc/13/27/53/210132753.db2.gz	VJUFGEMXYQPTAG-IBGZPJMESA-N	0	0	374.448	3.005	40	30		FGEBRN
C=CCN1CCOC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21	ZINC000096243962	210094826	/nfs/dbraw/zinc/09/48/26/210094826.db2.gz	OPUVFGKGCJABPY-UHFFFAOYSA-N	0	0	351.450	3.169	40	30		FGEBRN
COc1cccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)c1	ZINC000225843066	222874285	/nfs/dbraw/zinc/87/42/85/222874285.db2.gz	KVOGLQIKRLLBGN-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
CCN(CC)c1ccc(/C=N\c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-]	ZINC000018036617	211189824	/nfs/dbraw/zinc/18/98/24/211189824.db2.gz	UFAUCORSNRNQDJ-ODLFYWEKSA-N	0	0	353.382	3.361	40	30		FGEBRN
O=C1c2cc(N=C(NO)C(F)(F)F)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000017421956	211186806	/nfs/dbraw/zinc/18/68/06/211186806.db2.gz	YYMPJHWWVXLTOM-UHFFFAOYSA-N	0	0	351.240	3.377	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1	ZINC000016931521	211171230	/nfs/dbraw/zinc/17/12/30/211171230.db2.gz	RHAJDKVBOLQISQ-FRKPEAEDSA-N	0	0	360.717	3.479	40	30		FGEBRN
O=C1N/C(=N\c2ccccc2)S/C1=C/c1c2c(ccc1[N+](=O)[O-])OCO2	ZINC000005600676	210631726	/nfs/dbraw/zinc/63/17/26/210631726.db2.gz	SYXOHPGXSGZPQZ-RIYZIHGNSA-N	0	0	369.358	3.215	40	30		FGEBRN
COc1ccc([C@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2[C@@H]3O)cc1	ZINC000004775920	210561477	/nfs/dbraw/zinc/56/14/77/210561477.db2.gz	SMSNOVVIVRBCOU-PLACYPQZSA-N	0	0	370.401	3.278	40	30		FGEBRN
CCc1nnc(NC(=O)CSc2nc3c(c(C)c2C#N)CCCC3)s1	ZINC000001070917	210313813	/nfs/dbraw/zinc/31/38/13/210313813.db2.gz	XOXXCQKVMOMJOW-UHFFFAOYSA-N	0	0	373.507	3.285	40	30		FGEBRN
COc1ccc(Cl)cc1/C=C/C=N\c1ccc(S(N)(=O)=O)cc1	ZINC000102814341	222309150	/nfs/dbraw/zinc/30/91/50/222309150.db2.gz	BPYINGGETDQRCD-YMFWYZHBSA-N	0	0	350.827	3.412	40	30		FGEBRN
CCN1c2ccccc2/C(=N\NC(=S)c2ccc3ccccc3n2)C1=O	ZINC000104202579	222353169	/nfs/dbraw/zinc/35/31/69/222353169.db2.gz	ARNSTYPJWGXBSV-RELWKKBWSA-N	0	0	360.442	3.271	40	30		FGEBRN
Cc1cccc(C)c1NC(=O)[C@@H]1CN(c2c(C)cccc2C)C(=O)/C1=N\O	ZINC000104274224	222353717	/nfs/dbraw/zinc/35/37/17/222353717.db2.gz	UXYTXQQYBQSZPT-PDNPPFGYSA-N	0	0	365.433	3.352	40	30		FGEBRN
S=C(N/N=C\c1ccc(I)o1)Nc1ccccc1	ZINC000408997112	263515655	/nfs/dbraw/zinc/51/56/55/263515655.db2.gz	REXGLWPYIWZMQV-ZSOIEALJSA-N	0	0	371.203	3.205	40	30		FGEBRN
Brc1cc(C=[NH+][N-]c2ccccc2)oc1N1CCOCC1	ZINC000059679777	493907717	/nfs/dbraw/zinc/90/77/17/493907717.db2.gz	YBXMDUZLLUAMAP-GZTJUZNOSA-N	0	0	350.216	3.325	40	30		FGEBRN
O[C@@H](CON=C1c2ccccc2-c2ccccc21)Cn1nnc2ccccc21	ZINC000002700750	493816373	/nfs/dbraw/zinc/81/63/73/493816373.db2.gz	GMZXDPSVHHMQOB-OAHLLOKOSA-N	0	0	370.412	3.242	40	30		FGEBRN
Cc1ccc(Cn2c3nnc(SCC#N)n3c3ccccc3c2=O)cc1	ZINC000003280251	493836107	/nfs/dbraw/zinc/83/61/07/493836107.db2.gz	IYDCOBOWUJAFQH-UHFFFAOYSA-N	0	0	361.430	3.017	40	30		FGEBRN
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	ZINC000005046230	493910665	/nfs/dbraw/zinc/91/06/65/493910665.db2.gz	NNCFXEPIIRPTCE-UHFFFAOYSA-N	0	0	365.458	3.088	40	30		FGEBRN
C/C(=N/N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	ZINC000006014532	493949003	/nfs/dbraw/zinc/94/90/03/493949003.db2.gz	HREPGTQTOXFPLC-DEFALTHMSA-N	0	0	368.418	3.149	40	30		FGEBRN
COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccnc1)CC2	ZINC000008207841	494075703	/nfs/dbraw/zinc/07/57/03/494075703.db2.gz	MAVRGSBNCOAERQ-CPNJWEJPSA-N	0	0	361.195	3.360	40	30		FGEBRN
CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3ncnn32)cc1	ZINC000010339484	494150609	/nfs/dbraw/zinc/15/06/09/494150609.db2.gz	YLLFAILNWWSGEE-BFUOFWGJSA-N	0	0	351.454	3.392	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1	ZINC000014006293	494299853	/nfs/dbraw/zinc/29/98/53/494299853.db2.gz	FAKFCMOMMRZOQN-CQSZACIVSA-N	0	0	354.406	3.017	40	30		FGEBRN
Cc1ccc2nc(NC3=NCN([C@@H]4CCCC[C@H]4C)CN3)nc(C)c2c1	ZINC000019332612	494441773	/nfs/dbraw/zinc/44/17/73/494441773.db2.gz	AKQQYSYKXAIBQH-RDTXWAMCSA-N	0	0	352.486	3.223	40	30		FGEBRN
O=C(COc1ccc(/C=N\O)cc1Br)Nc1ccccc1F	ZINC000108203231	494661812	/nfs/dbraw/zinc/66/18/12/494661812.db2.gz	CUMMVIZEYDBPGJ-LSCVHKIXSA-N	0	0	367.174	3.414	40	30		FGEBRN
COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1ccccc1)[N@H+](C)CC3)OCO2	ZINC000110281297	494964976	/nfs/dbraw/zinc/96/49/76/494964976.db2.gz	FBWKJYJCSSZORR-KQRQPNSISA-N	0	0	354.406	3.222	40	30		FGEBRN
O=C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225643893	497069316	/nfs/dbraw/zinc/06/93/16/497069316.db2.gz	HMTZHBTZFZNPHU-BZUAXINKSA-N	0	0	365.248	3.204	40	30		FGEBRN
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	ZINC000225656097	497070685	/nfs/dbraw/zinc/07/06/85/497070685.db2.gz	WVGMOKCEXWYOMF-ZCNNSNEGSA-N	0	0	355.459	3.345	40	30		FGEBRN
CCOC(=O)[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1	ZINC000252515477	497309545	/nfs/dbraw/zinc/30/95/45/497309545.db2.gz	KHUFKDXTQUJARO-QWFCFKBJSA-N	0	0	369.442	3.008	40	30		FGEBRN
C/C(=N/N)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=C/C(=N/N)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253505295	497337158	/nfs/dbraw/zinc/33/71/58/497337158.db2.gz	GUIUGRNHIOQLSU-ANFOUYJDSA-N	0	0	356.514	3.106	40	30		FGEBRN
C/C(=N/N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	ZINC000006014537	518449293	/nfs/dbraw/zinc/44/92/93/518449293.db2.gz	HREPGTQTOXFPLC-SDLDRHLBSA-N	0	0	368.418	3.149	40	30		FGEBRN
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224890534	518814053	/nfs/dbraw/zinc/81/40/53/518814053.db2.gz	IEXXSKXJJHLGMR-UHFFFAOYSA-N	0	0	360.435	3.035	40	30		FGEBRN
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225103619	518821051	/nfs/dbraw/zinc/82/10/51/518821051.db2.gz	RTCSTAHTAPDBTL-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
COCCCNC(=S)NCCNc1nc2cc(C)cc(C)c2cc1C#N	ZINC000013598933	522998753	/nfs/dbraw/zinc/99/87/53/522998753.db2.gz	PMMDMFAGRFABCV-UHFFFAOYSA-N	0	0	371.510	3.047	40	30		FGEBRN
CN(C)/C=C(/C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1	ZINC000013997772	523968277	/nfs/dbraw/zinc/96/82/77/523968277.db2.gz	KDMIZALEGULYCL-WUVIJCSQSA-N	0	0	359.470	3.200	40	30		FGEBRN
Cc1nn(C)c(N(C)C)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1	ZINC000028473390	527669975	/nfs/dbraw/zinc/66/99/75/527669975.db2.gz	VRTAOLWUVIWOCE-CIAFOILYSA-N	0	0	372.469	3.301	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(Br)c(OCC)c(OCC)c1	ZINC000169884935	570623197	/nfs/dbraw/zinc/62/31/97/570623197.db2.gz	QYKCMPXZKCWVLO-RQZCQDPDSA-N	0	0	374.304	3.064	40	30		FGEBRN
O=C(Cn1cc(/C=N\c2cccc(F)c2)c2ccccc21)N1CCOCC1	ZINC000408859740	570693378	/nfs/dbraw/zinc/69/33/78/570693378.db2.gz	ZEJAMQLMGWTNQY-QRVIBDJDSA-N	0	0	365.408	3.390	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O	ZINC000409130295	570730574	/nfs/dbraw/zinc/73/05/74/570730574.db2.gz	HECSAALDYNIFND-SFQUDFHCSA-N	0	0	364.401	3.353	40	30		FGEBRN
C=CCc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(OCC)c1O	ZINC000409137421	570731726	/nfs/dbraw/zinc/73/17/26/570731726.db2.gz	VCBXQMGBPFAJLP-RVDMUPIBSA-N	0	0	363.435	3.202	40	30		FGEBRN
C=CCOc1ccc(/C=C2/NC(=O)N(CCC)C2=O)cc1Br	ZINC000409231452	570743944	/nfs/dbraw/zinc/74/39/44/570743944.db2.gz	JDYLLAHQCJNSRO-JLHYYAGUSA-N	0	0	365.227	3.317	40	30		FGEBRN
C=CCOc1c(Cl)cc(C=NN2C(=O)CSC2=S)cc1OCC	ZINC000409347699	570752139	/nfs/dbraw/zinc/75/21/39/570752139.db2.gz	QRVOOWHQVUXZPB-IUXPMGMMSA-N	0	0	370.883	3.498	40	30		FGEBRN
CCOc1cc(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OCC	ZINC000409353841	570752632	/nfs/dbraw/zinc/75/26/32/570752632.db2.gz	SONLZORWCLVNEG-UHFFFAOYSA-N	0	0	367.405	3.090	40	30		FGEBRN
COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1F	ZINC000409369350	570753835	/nfs/dbraw/zinc/75/38/35/570753835.db2.gz	BHXDFUMDISCWCO-UWVJOHFNSA-N	0	0	352.749	3.313	40	30		FGEBRN
CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2ccncc2)n1	ZINC000328977185	210126913	/nfs/dbraw/zinc/12/69/13/210126913.db2.gz	FRVRFKOCZYJDDW-CYBMUJFWSA-N	0	0	362.412	3.347	40	30		FGEBRN
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000000794990	219322318	/nfs/dbraw/zinc/32/23/18/219322318.db2.gz	SZWWBNLWNZJLQP-CRAIPNDOSA-N	0	0	367.401	3.345	40	30		FGEBRN
CCCCCCc1cc2cc(/C(C)=N/NC(N)=S)c(=O)oc2cc1O	ZINC000013475818	220069851	/nfs/dbraw/zinc/06/98/51/220069851.db2.gz	QPRFOIUWODUGJJ-RGVLZGJSSA-N	0	0	361.467	3.179	40	30		FGEBRN
COc1cccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC	ZINC000017003745	211175028	/nfs/dbraw/zinc/17/50/28/211175028.db2.gz	WXYSMXYJGTUADD-LICLKQGHSA-N	0	0	360.326	3.356	40	30		FGEBRN
OC/C(I)=C\C(F)(F)C(F)(F)C(F)(F)F	ZINC000016159255	211156974	/nfs/dbraw/zinc/15/69/74/211156974.db2.gz	AAIXLNBYXIVUKR-HNQUOIGGSA-N	0	0	351.987	3.131	40	30		FGEBRN
CO/N=C(/C(=O)Sc1nc2ccccc2s1)c1csc(N)n1	ZINC000002149439	210381625	/nfs/dbraw/zinc/38/16/25/210381625.db2.gz	COFDRZLHVALCDU-LICLKQGHSA-N	0	0	350.450	3.004	40	30		FGEBRN
N#CCN1c2sc3c(c2C(c2ccc(F)cc2)=NCC1=O)CCCC3	ZINC000000924549	210289678	/nfs/dbraw/zinc/28/96/78/210289678.db2.gz	PGEUQFUPDBDDTK-UHFFFAOYSA-N	0	0	353.422	3.474	40	30		FGEBRN
C[C@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	ZINC000000900586	210288741	/nfs/dbraw/zinc/28/87/41/210288741.db2.gz	HCYXJDLNWMBUHZ-CPCISQLKSA-N	0	0	366.759	3.066	40	30		FGEBRN
COc1ccccc1N1C(=O)C(=O)C(=C(C)O)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000066091544	221240082	/nfs/dbraw/zinc/24/00/82/221240082.db2.gz	MVNZVVVCBUYJBQ-QGZVFWFLSA-N	0	0	368.345	3.092	40	30		FGEBRN
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	ZINC000102700509	132235878	/nfs/dbraw/zinc/23/58/78/132235878.db2.gz	IUDVLMOQFXOYCR-JYJNAYRXSA-N	0	0	364.449	3.448	40	30		FGEBRN
Cn1c(CO[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2F)nc2ccccc21	ZINC000096112194	222028853	/nfs/dbraw/zinc/02/88/53/222028853.db2.gz	YIQQPTUARDAXDI-XLIONFOSSA-N	0	0	364.424	3.184	40	30	biogenic,in-vitro	FGEBRN
COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)c1	ZINC000102684676	222303903	/nfs/dbraw/zinc/30/39/03/222303903.db2.gz	WNNKDNBPUPCCPU-YAJHFMINSA-N	0	0	362.389	3.204	40	30		FGEBRN
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	ZINC000216768960	263457834	/nfs/dbraw/zinc/45/78/34/263457834.db2.gz	WNWDYIGGQJUREG-NRFANRHFSA-N	0	0	359.433	3.296	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O	ZINC000409140429	263533266	/nfs/dbraw/zinc/53/32/66/263533266.db2.gz	DOAFPQRDLFINMD-YRNVUSSQSA-N	0	0	371.618	3.190	40	30		FGEBRN
CCCOc1ccc(Br)cc1C=NN1C(=O)CSC1=S	ZINC000409351094	263550671	/nfs/dbraw/zinc/55/06/71/263550671.db2.gz	ZJUDVMHIAIDXBR-CHHVJCJISA-N	0	0	373.297	3.432	40	30		FGEBRN
C#CCOc1c(CC=C)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1OCC	ZINC000059104480	493902174	/nfs/dbraw/zinc/90/21/74/493902174.db2.gz	PIXUIPRIAAFJED-VYHRCCAKSA-N	0	0	370.474	3.358	40	30		FGEBRN
C#CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC	ZINC000004997988	493906847	/nfs/dbraw/zinc/90/68/47/493906847.db2.gz	KYZUMPMSZVTIAR-SFQUDFHCSA-N	0	0	363.369	3.060	40	30		FGEBRN
C=CCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C	ZINC000006348339	493960254	/nfs/dbraw/zinc/96/02/54/493960254.db2.gz	MXNDNIIZXCYKKH-RAXLEYEMSA-N	0	0	362.223	3.308	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(-c2ccc(Br)cc2)o1	ZINC000006856441	493983633	/nfs/dbraw/zinc/98/36/33/493983633.db2.gz	HNXNAAGHQMMGKB-UHFFFAOYSA-N	0	0	360.215	3.494	40	30		FGEBRN
CC[C@@]1(C)NC(=O)N(N=CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O	ZINC000036843865	494099541	/nfs/dbraw/zinc/09/95/41/494099541.db2.gz	CLLLCKNIDPLRCA-HZSTWWNRSA-N	0	0	368.220	3.476	40	30		FGEBRN
COC(=O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OC	ZINC000010119042	494143702	/nfs/dbraw/zinc/14/37/02/494143702.db2.gz	PDAQFKIBCFNRRP-SRZZPIQSSA-N	0	0	362.813	3.024	40	30		FGEBRN
C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc(Br)c2)C1	ZINC000014164876	494308383	/nfs/dbraw/zinc/30/83/83/494308383.db2.gz	UQHXWTKCBDKFAA-PSLIRLAXSA-N	0	0	359.227	3.309	40	30		FGEBRN
CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000118936714	495053586	/nfs/dbraw/zinc/05/35/86/495053586.db2.gz	IUQJWMVFSCOAHF-GOSCOBLSSA-N	0	0	362.510	3.087	40	30		FGEBRN
C#C[C@@]1(O)CC[C@@]2(C)[C@@H](CC3(OCCO3)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000118915169	495053681	/nfs/dbraw/zinc/05/36/81/495053681.db2.gz	MQTQESZYELRKMR-CVLIFIHMSA-N	0	0	372.505	3.316	40	30		FGEBRN
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	ZINC000216774800	496991887	/nfs/dbraw/zinc/99/18/87/496991887.db2.gz	RLHQPVZQCCQNRX-OAQYLSRUSA-N	0	0	359.433	3.038	40	30		FGEBRN
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	ZINC000216768913	496992118	/nfs/dbraw/zinc/99/21/18/496992118.db2.gz	WNWDYIGGQJUREG-OAQYLSRUSA-N	0	0	359.433	3.296	40	30		FGEBRN
N#Cc1cccc(C(=O)N2CC3(C2)C[C@@H](OCC2CCCC2)CS3)c1	ZINC000575405711	505973387	/nfs/dbraw/zinc/97/33/87/505973387.db2.gz	ZKCCUVKGDIIWJH-GOSISDBHSA-N	0	0	356.491	3.465	40	30		FGEBRN
CCCCOc1ccc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)cn1	ZINC000331110858	498255117	/nfs/dbraw/zinc/25/51/17/498255117.db2.gz	JBWOOXBXLTZXSZ-UHFFFAOYSA-N	0	0	361.364	3.195	40	30		FGEBRN
C=CCOc1c(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cccc1OC	ZINC000408527749	499591529	/nfs/dbraw/zinc/59/15/29/499591529.db2.gz	FMTLXMZTJVJDBA-LGMDPLHJSA-N	0	0	364.401	3.353	40	30		FGEBRN
C=CCNC(=S)N/N=C/c1ccc(OCC(C)C)c(Br)c1	ZINC000408601136	499592824	/nfs/dbraw/zinc/59/28/24/499592824.db2.gz	IQDYRUXOZLABDN-GIJQJNRQSA-N	0	0	370.316	3.468	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCCCCC	ZINC000408707449	499594117	/nfs/dbraw/zinc/59/41/17/499594117.db2.gz	BEZUCZKXDSYKKP-UHFFFAOYSA-N	0	0	373.497	3.408	40	30		FGEBRN
COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Br	ZINC000408751286	499594772	/nfs/dbraw/zinc/59/47/72/499594772.db2.gz	YUYWEQZUPSKPEB-APSNUPSMSA-N	0	0	351.160	3.207	40	30		FGEBRN
COC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1Cl	ZINC000408912512	499595145	/nfs/dbraw/zinc/59/51/45/499595145.db2.gz	HTKNZUGVUDSJLV-ODCIPOBUSA-N	0	0	357.801	3.008	40	30		FGEBRN
CCOC(=O)COc1ccccc1CN=Nc1ccc(C(F)(F)F)cn1	ZINC000409103038	499595828	/nfs/dbraw/zinc/59/58/28/499595828.db2.gz	CVLXXYSDTXQJDP-LSFURLLWSA-N	0	0	367.327	3.488	40	30		FGEBRN
C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(F)cc1	ZINC000224916034	518802533	/nfs/dbraw/zinc/80/25/33/518802533.db2.gz	QLXXKKYIPGVDKS-UHFFFAOYSA-N	0	0	363.410	3.302	40	30		FGEBRN
C=CCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000113966310	518933410	/nfs/dbraw/zinc/93/34/10/518933410.db2.gz	FEDVJTPFZQLJNG-UHFFFAOYSA-N	0	0	372.490	3.185	40	30		FGEBRN
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1	ZINC000225118055	519036700	/nfs/dbraw/zinc/03/67/00/519036700.db2.gz	WLAQZKKXIHYKDB-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCOc1ccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000225014827	519038328	/nfs/dbraw/zinc/03/83/28/519038328.db2.gz	ZTHDFCLDAUEJGI-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1	ZINC000022509734	519039379	/nfs/dbraw/zinc/03/93/79/519039379.db2.gz	GLYUYASJCYQKOW-UHFFFAOYSA-N	0	0	352.434	3.336	40	30		FGEBRN
C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2OC)s1	ZINC000039989280	519087835	/nfs/dbraw/zinc/08/78/35/519087835.db2.gz	NJAFPSMHJIWVDW-SNVBAGLBSA-N	0	0	351.453	3.231	40	30		FGEBRN
COc1cc(C=CC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000013412576	521924795	/nfs/dbraw/zinc/92/47/95/521924795.db2.gz	MUYJSOCNDLUHPJ-XVNBXDOJSA-N	0	0	370.401	3.289	40	30	endogenous,in-man	FGEBRN
COc1ccc(OC)c(/C=N/CC/N=C/c2cc(OC)ccc2OC)c1	ZINC000017859610	524801933	/nfs/dbraw/zinc/80/19/33/524801933.db2.gz	OAASQSSBLPZNGY-JFMUQQRKSA-N	0	0	356.422	3.259	40	30		FGEBRN
Cn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cn1	ZINC000225393825	527144006	/nfs/dbraw/zinc/14/40/06/527144006.db2.gz	HGMPLECTHZLUNI-DUXPYHPUSA-N	0	0	359.179	3.185	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1Cl	ZINC000409129306	570730145	/nfs/dbraw/zinc/73/01/45/570730145.db2.gz	ROMOREFNCYFCBN-UKTHLTGXSA-N	0	0	351.189	3.084	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O	ZINC000409148682	570732487	/nfs/dbraw/zinc/73/24/87/570732487.db2.gz	ZRFWLRQOFZNIIY-SFQUDFHCSA-N	0	0	364.401	3.353	40	30		FGEBRN
N#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000409234313	570744538	/nfs/dbraw/zinc/74/45/38/570744538.db2.gz	ZHANNHLFOCUSIF-LDADJPATSA-N	0	0	356.385	3.258	40	30		FGEBRN
C#CCOc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409361589	570752921	/nfs/dbraw/zinc/75/29/21/570752921.db2.gz	SUEFTLROVBRCPS-UHFFFAOYSA-N	0	0	369.380	3.150	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218388897	222681097	/nfs/dbraw/zinc/68/10/97/222681097.db2.gz	CKXJBNJNUOWCRQ-OKZBNKHCSA-N	0	0	361.850	3.436	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218470130	222682308	/nfs/dbraw/zinc/68/23/08/222682308.db2.gz	XZIFXFOCGAOULE-GBESFXJTSA-N	0	0	359.422	3.312	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000014831572	220134242	/nfs/dbraw/zinc/13/42/42/220134242.db2.gz	GUZWCBLHWDCQEL-ZHACJKMWSA-N	0	0	351.362	3.163	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N2C(=O)[C@@H](C)S/C2=N\c2ccccc2)cc1	ZINC000018080702	220223710	/nfs/dbraw/zinc/22/37/10/220223710.db2.gz	UHYNFNRDDARRTI-XAGMJWQQSA-N	0	0	360.460	3.335	40	30		FGEBRN
C[C@@H](C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1)n1cncn1	ZINC000019079819	220235373	/nfs/dbraw/zinc/23/53/73/220235373.db2.gz	SOHAWBQJFCKUOJ-KRWDZBQOSA-N	0	0	373.460	3.258	40	30		FGEBRN
CC(C)(C)c1nnc(NC(=O)CN2CCC[C@@H](Cn3ccnc3)C2)s1	ZINC000019715450	220288862	/nfs/dbraw/zinc/28/88/62/220288862.db2.gz	XFXCTYKRCDDTDV-CYBMUJFWSA-N	0	0	362.503	3.032	40	30		FGEBRN
Cc1nnc(N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)n1N	ZINC000004596810	263334501	/nfs/dbraw/zinc/33/45/01/263334501.db2.gz	MPPVGLRXTIABTF-CNHKJKLMSA-N	0	0	351.197	3.313	40	30		FGEBRN
O=C(CN1CCCN(c2ccccn2)CC1)Nc1nnc(C2CCC2)s1	ZINC000019658426	263375362	/nfs/dbraw/zinc/37/53/62/263375362.db2.gz	GVPAMYDXRAYLHI-UHFFFAOYSA-N	0	0	372.498	3.001	40	30		FGEBRN
C=CCOc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Cl	ZINC000409347931	263550542	/nfs/dbraw/zinc/55/05/42/263550542.db2.gz	NQUQRLCWKBMUAP-UHFFFAOYSA-N	0	0	355.781	3.203	40	30		FGEBRN
C[C@]12OC(=N)[C@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@H]2c1ccccc1	ZINC000004451464	493877356	/nfs/dbraw/zinc/87/73/56/493877356.db2.gz	RHQCNXVWUHSVNE-YTXYEVPYSA-N	0	0	358.357	3.402	40	30		FGEBRN
CC(=O)c1nn(-c2ccccc2Cl)/c(=N/N=C/c2ccc(O)cc2)s1	ZINC000005726503	493940189	/nfs/dbraw/zinc/94/01/89/493940189.db2.gz	PBEBAMXVVKIOCB-HCDAPJTOSA-N	0	0	372.837	3.430	40	30		FGEBRN
COc1ccc2nc(C(=N)NN=Cc3ccc(N(C)C)cc3)sc2c1	ZINC000005879025	493945869	/nfs/dbraw/zinc/94/58/69/493945869.db2.gz	IMSPYAQEIDSEDA-JAIQZWGSSA-N	0	0	353.451	3.110	40	30		FGEBRN
COCc1cc(C)nc(SCC(=O)Nc2ccc(C#N)cc2)c1C#N	ZINC000006961394	493990190	/nfs/dbraw/zinc/99/01/90/493990190.db2.gz	ASBOWVZSMZLNTP-UHFFFAOYSA-N	0	0	352.419	3.011	40	30		FGEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(OC)c(OC)c1	ZINC000010042011	494141558	/nfs/dbraw/zinc/14/15/58/494141558.db2.gz	YHHHMASHGGMNHJ-IGUAEOCPSA-N	0	0	371.389	3.445	40	30		FGEBRN
COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000106498410	495459063	/nfs/dbraw/zinc/45/90/63/495459063.db2.gz	ALOYVLCVDUJCRB-UWVJOHFNSA-N	0	0	352.749	3.313	40	30		FGEBRN
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)c1	ZINC000216776484	496992167	/nfs/dbraw/zinc/99/21/67/496992167.db2.gz	VPGOXDLCGXUYRK-OAQYLSRUSA-N	0	0	359.433	3.038	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218388660	497002306	/nfs/dbraw/zinc/00/23/06/497002306.db2.gz	CKXJBNJNUOWCRQ-SQNIBIBYSA-N	0	0	361.850	3.436	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218388821	497002395	/nfs/dbraw/zinc/00/23/95/497002395.db2.gz	CKXJBNJNUOWCRQ-BZSNNMDCSA-N	0	0	361.850	3.436	40	30		FGEBRN
COc1ccccc1COc1nn(Cc2cccc(F)c2)c(N)c1C#N	ZINC000225842262	497077133	/nfs/dbraw/zinc/07/71/33/497077133.db2.gz	OYSYYHGRWLXSDG-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@H](C)C2)c1	ZINC000225858722	497077251	/nfs/dbraw/zinc/07/72/51/497077251.db2.gz	PWEGSQITRTXTTG-INIZCTEOSA-N	0	0	350.466	3.100	40	30		FGEBRN
C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1	ZINC000225924043	497079773	/nfs/dbraw/zinc/07/97/73/497079773.db2.gz	GSSPKKDDQBPCRW-UHFFFAOYSA-N	0	0	355.467	3.342	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@@H](C)C(=O)C=C[C@@]1(C)O	ZINC000253390391	497330517	/nfs/dbraw/zinc/33/05/17/497330517.db2.gz	BIGBTKXKWUHWLH-ARDVQGFVSA-N	0	0	350.455	3.012	40	30	biogenic,in-vitro	FGEBRN
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1	ZINC000408601415	499592917	/nfs/dbraw/zinc/59/29/17/499592917.db2.gz	AUOZBKWWXRPQKS-UHFFFAOYSA-N	0	0	364.854	3.365	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OC	ZINC000408917999	499595378	/nfs/dbraw/zinc/59/53/78/499595378.db2.gz	DXAIRBJMCRGYGC-GXDHUFHOSA-N	0	0	361.806	3.030	40	30		FGEBRN
N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccncc3)n2)cn1	ZINC000585295095	507588061	/nfs/dbraw/zinc/58/80/61/507588061.db2.gz	ZWDUOCAVEYVPPJ-LJQANCHMSA-N	0	0	357.421	3.219	40	30		FGEBRN
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)CC)c1ccccc1	ZINC000004965231	518740294	/nfs/dbraw/zinc/74/02/94/518740294.db2.gz	DNXGGYXZDNLNON-INIZCTEOSA-N	0	0	372.494	3.212	40	30		FGEBRN
C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224821612	518820489	/nfs/dbraw/zinc/82/04/89/518820489.db2.gz	LYLNENPMBKCYHL-UHFFFAOYSA-N	0	0	359.447	3.402	40	30		FGEBRN
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224893638	518820685	/nfs/dbraw/zinc/82/06/85/518820685.db2.gz	QHWRQSSWFKWEOA-UHFFFAOYSA-N	0	0	360.435	3.035	40	30		FGEBRN
CCOc1ccc(-n2c(C)cc(C=NNc3nc(C)cc(=O)[nH]3)c2C)cc1	ZINC000017917719	520833579	/nfs/dbraw/zinc/83/35/79/520833579.db2.gz	ZTWWJBCSLBCIPG-CIAFOILYSA-N	0	0	365.437	3.331	40	30		FGEBRN
COc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O	ZINC000005853503	522623204	/nfs/dbraw/zinc/62/32/04/522623204.db2.gz	UFTPGSRNSYAVIA-XNTDXEJSSA-N	0	0	372.475	3.229	40	30		FGEBRN
COc1ccc(O)c(/C=N\CC(C)C/N=C\c2cc(OC)ccc2O)c1	ZINC000016676503	524723574	/nfs/dbraw/zinc/72/35/74/524723574.db2.gz	WOIXKQMPNSNVGG-HDSGJDLKSA-N	0	0	356.422	3.289	40	30		FGEBRN
O=[N+]([O-])c1cccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)c1	ZINC000408899899	570696138	/nfs/dbraw/zinc/69/61/38/570696138.db2.gz	RRNGKKWSDKGZTA-LDADJPATSA-N	0	0	371.374	3.167	40	30		FGEBRN
COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC#N	ZINC000409033070	570715143	/nfs/dbraw/zinc/71/51/43/570715143.db2.gz	KVFHAJMSUKOABT-HOEBFWFUSA-N	0	0	373.228	3.311	40	30		FGEBRN
O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1cccs1	ZINC000107012691	571151353	/nfs/dbraw/zinc/15/13/53/571151353.db2.gz	DFBLDEYZDUQXPD-UHFFFAOYSA-N	0	0	368.326	3.178	40	30		FGEBRN
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	ZINC000005575166	219689851	/nfs/dbraw/zinc/68/98/51/219689851.db2.gz	SZAHIEIJJDKFRX-JJMGRXSGSA-N	0	0	374.477	3.156	40	30		FGEBRN
N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCCC3)C2)cc1	ZINC000012875110	220038099	/nfs/dbraw/zinc/03/80/99/220038099.db2.gz	HSTYGNGESHJGCV-INIZCTEOSA-N	0	0	354.454	3.251	40	30		FGEBRN
COc1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OC	ZINC000035334740	220779270	/nfs/dbraw/zinc/77/92/70/220779270.db2.gz	NYGCZTCOILAIBG-MTJSOVHGSA-N	0	0	373.522	3.471	40	30		FGEBRN
CCCCCCCCCCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-]	ZINC000100050172	222233183	/nfs/dbraw/zinc/23/31/83/222233183.db2.gz	DDGPBVIAYDDWDH-KRWDZBQOSA-O	0	0	352.561	3.232	40	30		FGEBRN
COc1cc(/C=N\N2CCCCCC2)cc(I)c1O	ZINC000104052537	222349174	/nfs/dbraw/zinc/34/91/74/222349174.db2.gz	WLMNJVKGNSNJKW-YBEGLDIGSA-N	0	0	374.222	3.215	40	30		FGEBRN
CCOc1c(Br)cc(Br)cc1/C=N/n1cnnc1	ZINC000005335980	263340504	/nfs/dbraw/zinc/34/05/04/263340504.db2.gz	JSNAARNQSRUPAP-FZSIALSZSA-N	0	0	374.036	3.084	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NC[C@H]1CCCO1	ZINC000408799618	263496544	/nfs/dbraw/zinc/49/65/44/263496544.db2.gz	HDTCCEIQMYDRPW-MTEVNVADSA-N	0	0	356.397	3.250	40	30		FGEBRN
Cc1nn(-c2ccccc2)cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005446605	493931228	/nfs/dbraw/zinc/93/12/28/493931228.db2.gz	MINGECCMJUXIBN-VCHYOVAHSA-N	0	0	366.337	3.443	40	30		FGEBRN
N#CC(=NNc1ccc(Br)cc1)c1nnc2n1CCCCC2	ZINC000005574464	493935232	/nfs/dbraw/zinc/93/52/32/493935232.db2.gz	HYBZFXVYFOZAGM-CPNJWEJPSA-N	0	0	359.231	3.107	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(=O)OCC)c2)c1C	ZINC000006387069	493962572	/nfs/dbraw/zinc/96/25/72/493962572.db2.gz	LPNJSNBYDZGHRI-CIAFOILYSA-N	0	0	372.494	3.089	40	30		FGEBRN
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1	ZINC000006416066	493963322	/nfs/dbraw/zinc/96/33/22/493963322.db2.gz	PQWBBGZNLPTUKI-UHFFFAOYSA-N	0	0	358.463	3.328	40	30		FGEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1	ZINC000032116953	493976477	/nfs/dbraw/zinc/97/64/77/493976477.db2.gz	ZQIFWQNJWFBIEK-CXUHLZMHSA-N	0	0	354.387	3.316	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2ccccc2)c(OCC)c1	ZINC000007601837	494029520	/nfs/dbraw/zinc/02/95/20/494029520.db2.gz	OVCLMZZYBVDRLJ-UHFFFAOYSA-N	0	0	365.437	3.449	40	30		FGEBRN
C=CCO[C@@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12	ZINC000008297123	494082301	/nfs/dbraw/zinc/08/23/01/494082301.db2.gz	YNWXTOGXASCIMN-MOPGFXCFSA-N	0	0	366.392	3.231	40	30	biogenic,in-vitro	FGEBRN
COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCC#N	ZINC000038206694	494112357	/nfs/dbraw/zinc/11/23/57/494112357.db2.gz	OQUMIXJSMZOSBE-AFPJDJCSSA-N	0	0	350.300	3.457	40	30		FGEBRN
NC(=O)CCn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21	ZINC000010118865	494143857	/nfs/dbraw/zinc/14/38/57/494143857.db2.gz	FIRQNJIVBDFLLT-FSJBWODESA-N	0	0	354.841	3.294	40	30		FGEBRN
Cc1ccc2cc(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)nc2c1	ZINC000012480773	494235897	/nfs/dbraw/zinc/23/58/97/494235897.db2.gz	VMZCWVVLYJXBRY-UHFFFAOYSA-N	0	0	356.429	3.377	40	30		FGEBRN
Cc1c(NC2=CC(=O)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C	ZINC000111899336	495127582	/nfs/dbraw/zinc/12/75/82/495127582.db2.gz	UDKLSGVBTGOTJD-XLNRJJMWSA-N	0	0	359.385	3.243	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218045500	497000057	/nfs/dbraw/zinc/00/00/57/497000057.db2.gz	RTRAGWLEUVIDQT-UFYCRDLUSA-N	0	0	355.459	3.481	40	30		FGEBRN
N#C[C@@]1(N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218529147	497003431	/nfs/dbraw/zinc/00/34/31/497003431.db2.gz	QNYPUCCLMNBFOY-HRCADAONSA-N	0	0	367.257	3.154	40	30		FGEBRN
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1	ZINC000223722205	497041769	/nfs/dbraw/zinc/04/17/69/497041769.db2.gz	KHAYURWLAIVPAS-UHFFFAOYSA-N	0	0	361.463	3.389	40	30		FGEBRN
N#C[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000252516216	497309635	/nfs/dbraw/zinc/30/96/35/497309635.db2.gz	QNYPUCCLMNBFOY-XHSDSOJGSA-N	0	0	367.257	3.154	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@H](C)C(=O)C=C[C@@]1(C)O	ZINC000253390403	497330007	/nfs/dbraw/zinc/33/00/07/497330007.db2.gz	BIGBTKXKWUHWLH-LBGLDJBASA-N	0	0	350.455	3.012	40	30	biogenic,in-vitro	FGEBRN
CC[C@@H](C(=O)Nc1cnc2c(Br)cccn12)N1CCCC1=O	ZINC000329170810	499061955	/nfs/dbraw/zinc/06/19/55/499061955.db2.gz	KETAANRWZXWZIZ-NSHDSACASA-N	0	0	365.231	3.086	40	30		FGEBRN
CC[C@H](C(=O)Nc1cnc2c(Br)cccn12)N1CCCC1=O	ZINC000329170809	499062036	/nfs/dbraw/zinc/06/20/36/499062036.db2.gz	KETAANRWZXWZIZ-LLVKDONJSA-N	0	0	365.231	3.086	40	30		FGEBRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc([N+](=O)[O-])cc1	ZINC000408737269	499594633	/nfs/dbraw/zinc/59/46/33/499594633.db2.gz	MXBMRVISSLSSMD-PQFHHTBUSA-N	0	0	351.362	3.279	40	30		FGEBRN
COc1ccc2ccc(OC)c(/C=N/N3C(=O)c4ccccc4C3=O)c2c1	ZINC000409012610	499595713	/nfs/dbraw/zinc/59/57/13/499595713.db2.gz	KSHMEVIFPMIEOL-WSDLNYQXSA-N	0	0	360.369	3.487	40	30		FGEBRN
C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@]1(O)c2cc4c(cc2O[C@H]31)OCO4	ZINC000253370372	518645579	/nfs/dbraw/zinc/64/55/79/518645579.db2.gz	QAECYLYDFBBCCO-DLPLYFIVSA-N	0	0	366.369	3.009	40	30	biogenic,in-vitro	FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000224647694	518811401	/nfs/dbraw/zinc/81/14/01/518811401.db2.gz	SAHNRAIWAYJJLT-UHFFFAOYSA-N	0	0	356.447	3.451	40	30		FGEBRN
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224776681	518813006	/nfs/dbraw/zinc/81/30/06/518813006.db2.gz	VIMAXIMGWIMFST-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000224645140	518813667	/nfs/dbraw/zinc/81/36/67/518813667.db2.gz	JHGOUOKZIHQMGF-UHFFFAOYSA-N	0	0	361.419	3.114	40	30		FGEBRN
CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc(NCCO)n2)cc1	ZINC000328955915	520174369	/nfs/dbraw/zinc/17/43/69/520174369.db2.gz	ADWOYPPLGKXAJY-UHFFFAOYSA-N	0	0	363.421	3.321	40	30		FGEBRN
COCCCNC(=S)NCCNc1nc2cc(C)c(C)cc2cc1C#N	ZINC000013556028	522995320	/nfs/dbraw/zinc/99/53/20/522995320.db2.gz	BQPKMIKTDWOKEZ-UHFFFAOYSA-N	0	0	371.510	3.047	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@@H]1C2	ZINC000253407529	526209745	/nfs/dbraw/zinc/20/97/45/526209745.db2.gz	WNQOWPFARWIGAD-JWJAUNBTSA-N	0	0	362.466	3.147	40	30	biogenic,in-vitro	FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@]3(C)[C@H]1C2	ZINC000253407540	526210069	/nfs/dbraw/zinc/21/00/69/526210069.db2.gz	WNQOWPFARWIGAD-QGLAHUQNSA-N	0	0	362.466	3.147	40	30	biogenic,in-vitro	FGEBRN
N=C(NN=Cc1ccc(Cl)cc1)C(=N)NN=Cc1ccc(Cl)cc1	ZINC000104368970	526825095	/nfs/dbraw/zinc/82/50/95/526825095.db2.gz	XHFZIWQWSZRZCA-KGIZCEIGSA-N	0	0	361.236	3.495	40	30		FGEBRN
Brc1cc(/C=N\OCc2ccccc2)oc1N1CCOCC1	ZINC000408843309	570692025	/nfs/dbraw/zinc/69/20/25/570692025.db2.gz	FJOWFKVPNQOMGO-WQRHYEAKSA-N	0	0	365.227	3.429	40	30		FGEBRN
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/C=C/c2ccco2)S1	ZINC000409080595	570719686	/nfs/dbraw/zinc/71/96/86/570719686.db2.gz	LUUZNKXFRASBAH-NSCBVSHOSA-N	0	0	361.419	3.184	40	30		FGEBRN
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCC#N	ZINC000409085043	570720227	/nfs/dbraw/zinc/72/02/27/570720227.db2.gz	YFSWAYSSYAAZPZ-SSZFMOIBSA-N	0	0	355.463	3.321	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2)cc1OC	ZINC000409369524	570753830	/nfs/dbraw/zinc/75/38/30/570753830.db2.gz	CKDOKALETKOMPK-MTJSOVHGSA-N	0	0	372.808	3.350	40	30		FGEBRN
C=CCn1c(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21	ZINC000409366899	570753897	/nfs/dbraw/zinc/75/38/97/570753897.db2.gz	WQWPHSKZUMSBQI-UHFFFAOYSA-N	0	0	358.401	3.433	40	30		FGEBRN
COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c([N+](=O)[O-])c1	ZINC000004902624	219621622	/nfs/dbraw/zinc/62/16/22/219621622.db2.gz	MCURLNFXTIFURY-UHFFFAOYSA-N	0	0	372.406	3.218	40	30		FGEBRN
CC(=O)/C=C\C=C\c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	ZINC000017175012	220209022	/nfs/dbraw/zinc/20/90/22/220209022.db2.gz	RCKPFEXECYJLFV-UUUYEPMCSA-N	0	0	368.385	3.130	40	30		FGEBRN
Cc1ccc2nc(NC3=NCN([C@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1	ZINC000019332608	220250885	/nfs/dbraw/zinc/25/08/85/220250885.db2.gz	AKQQYSYKXAIBQH-KSSFIOAISA-N	0	0	352.486	3.223	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000019959661	220306636	/nfs/dbraw/zinc/30/66/36/220306636.db2.gz	SNZIKKHZUGVLBA-VXJOIVPMSA-N	0	0	359.773	3.108	40	30		FGEBRN
CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)C[C@H](C)CC1=N2	ZINC000022608353	220391527	/nfs/dbraw/zinc/39/15/27/220391527.db2.gz	VMHGWOCXOVNUIS-RFAUZJTJSA-N	0	0	371.422	3.176	40	30		FGEBRN
N#Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1	ZINC000096111804	222029600	/nfs/dbraw/zinc/02/96/00/222029600.db2.gz	JATOTCWOLUPCNR-FPOVZHCZSA-N	0	0	373.456	3.337	40	30	biogenic,in-vitro	FGEBRN
O=S1(=O)CC[C@@H](N(/N=C/c2c[nH]c3ccccc23)c2ccccc2)C1	ZINC000005330093	263340352	/nfs/dbraw/zinc/34/03/52/263340352.db2.gz	LOGHWOKNQJTQBK-VYVDHXHBSA-N	0	0	353.447	3.196	40	30		FGEBRN
C#CC[N@H+]1CCC[C@@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)C1	ZINC000019529995	263374542	/nfs/dbraw/zinc/37/45/42/263374542.db2.gz	NEVKGZYSYWEXPD-AVRDEDQJSA-N	0	0	368.477	3.157	40	30		FGEBRN
CCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OCC	ZINC000057593930	263412529	/nfs/dbraw/zinc/41/25/29/263412529.db2.gz	ZXYKPOIENVISKB-XMHGGMMESA-N	0	0	362.451	3.187	40	30		FGEBRN
CC1N=NC(=S)N1N=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408860072	263502141	/nfs/dbraw/zinc/50/21/41/263502141.db2.gz	ROSICUDBDBCBMI-VCHYOVAHSA-N	0	0	369.406	3.245	40	30		FGEBRN
CCOC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1	ZINC000408932405	263507441	/nfs/dbraw/zinc/50/74/41/263507441.db2.gz	WUCLXMIRXCTWHG-PXLXIMEGSA-N	0	0	368.433	3.216	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OCC	ZINC000408929940	263508185	/nfs/dbraw/zinc/50/81/85/263508185.db2.gz	PZKKUIKKXCOANU-KOJZBUGZSA-N	0	0	364.854	3.283	40	30		FGEBRN
CCNC(=S)N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	ZINC000409373408	263552690	/nfs/dbraw/zinc/55/26/90/263552690.db2.gz	RSVHBGXEXVJFFV-IUXPMGMMSA-N	0	0	352.803	3.326	40	30		FGEBRN
C=CCN1C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C(=O)NC1=S	ZINC000002403451	493807790	/nfs/dbraw/zinc/80/77/90/493807790.db2.gz	JMMIMFRDMQSJCE-FOWTUZBSSA-N	0	0	367.430	3.139	40	30		FGEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1	ZINC000005551717	493934110	/nfs/dbraw/zinc/93/41/10/493934110.db2.gz	ZQIFWQNJWFBIEK-SXGWCWSVSA-N	0	0	354.387	3.316	40	30		FGEBRN
CN(C)c1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	ZINC000005585842	493936222	/nfs/dbraw/zinc/93/62/22/493936222.db2.gz	QMEYMFNBLUGMLV-CIAFOILYSA-N	0	0	367.840	3.398	40	30		FGEBRN
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(C)c(Br)c1	ZINC000006627554	493971221	/nfs/dbraw/zinc/97/12/21/493971221.db2.gz	ARGVLPIOLYQZHP-QGMBQPNBSA-N	0	0	365.300	3.332	40	30		FGEBRN
N#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1	ZINC000010674740	494158322	/nfs/dbraw/zinc/15/83/22/494158322.db2.gz	WEERXVUGOVNQQP-UHFFFAOYSA-N	0	0	366.402	3.251	40	30		FGEBRN
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	ZINC000118934729	495053601	/nfs/dbraw/zinc/05/36/01/495053601.db2.gz	PSRYHQQVKMOFNA-VUOZLLHNSA-N	0	0	356.462	3.039	40	30		FGEBRN
CCCCCCCCCCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000100839268	495066477	/nfs/dbraw/zinc/06/64/77/495066477.db2.gz	IQAUHVSHMRQVHY-CVEARBPZSA-N	0	0	360.589	3.263	40	30		FGEBRN
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	ZINC000218566427	497003970	/nfs/dbraw/zinc/00/39/70/497003970.db2.gz	TZOXLYWSBQZBJQ-RCCFBDPRSA-N	0	0	360.866	3.063	40	30		FGEBRN
C=CCNC(=S)Nc1ncc(Br)c(C)c1Br	ZINC000223918897	497044933	/nfs/dbraw/zinc/04/49/33/497044933.db2.gz	ZCNJPFOCJYSCCY-UHFFFAOYSA-N	0	0	365.094	3.387	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	ZINC000225659495	497070697	/nfs/dbraw/zinc/07/06/97/497070697.db2.gz	VPNHDICAGDPECL-FGTMMUONSA-N	0	0	359.834	3.297	40	30		FGEBRN
N#C[C@]1(C=O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000225667483	497070881	/nfs/dbraw/zinc/07/08/81/497070881.db2.gz	VKISBDCRJLMINS-IKGGRYGDSA-N	0	0	363.797	3.128	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1	ZINC000252514336	497309105	/nfs/dbraw/zinc/30/91/05/497309105.db2.gz	CKXJBNJNUOWCRQ-KZNAEPCWSA-N	0	0	361.850	3.436	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1	ZINC000408709918	499594343	/nfs/dbraw/zinc/59/43/43/499594343.db2.gz	ZKAYNZIUUXEWBY-UHFFFAOYSA-N	0	0	368.433	3.294	40	30		FGEBRN
CN1C(=O)S/C(=C\c2cc(Br)ccc2OCC#N)C1=O	ZINC000408812315	499595299	/nfs/dbraw/zinc/59/52/99/499595299.db2.gz	OMNGWUABNQSZIJ-XFFZJAGNSA-N	0	0	353.197	3.018	40	30		FGEBRN
C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccccn1)C2	ZINC000585106678	507572944	/nfs/dbraw/zinc/57/29/44/507572944.db2.gz	FEGQGTJIEWZKIO-QFIPXVFZSA-N	0	0	371.444	3.015	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224812437	518812748	/nfs/dbraw/zinc/81/27/48/518812748.db2.gz	OKXSERSHJMVDJK-UHFFFAOYSA-N	0	0	369.389	3.363	40	30		FGEBRN
C=CCNC(=S)N/N=C\c1ccccc1OCCOc1ccccc1	ZINC000033927536	518948921	/nfs/dbraw/zinc/94/89/21/518948921.db2.gz	UBSPEQLOOXTUHN-QNGOZBTKSA-N	0	0	355.463	3.128	40	30		FGEBRN
O=C(Cn1cc(/C=N/Cc2ccccc2)c2ccccc21)N1CCOCC1	ZINC000408963205	570704231	/nfs/dbraw/zinc/70/42/31/570704231.db2.gz	XXGDEVOUDQHQHA-HZHRSRAPSA-N	0	0	361.445	3.119	40	30		FGEBRN
C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O	ZINC000409130132	570730199	/nfs/dbraw/zinc/73/01/99/570730199.db2.gz	IKFSVYNSMBAVFC-GDNBJRDFSA-N	0	0	353.334	3.242	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O	ZINC000409140148	570731522	/nfs/dbraw/zinc/73/15/22/570731522.db2.gz	DZRTXXQAOFRVMI-LDADJPATSA-N	0	0	352.365	3.483	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O	ZINC000409138200	570731674	/nfs/dbraw/zinc/73/16/74/570731674.db2.gz	YSKYXCCWDNPUJS-XNTDXEJSSA-N	0	0	353.334	3.242	40	30		FGEBRN
CC(C)OC(=O)COc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1	ZINC000409186629	570737630	/nfs/dbraw/zinc/73/76/30/570737630.db2.gz	FTGWKULCCNKZDQ-NDENLUEZSA-N	0	0	371.462	3.338	40	30		FGEBRN
O=C(COc1ccc(/C=N/c2cccc(Cl)c2)cc1)N1CCOCC1	ZINC000409243496	570746222	/nfs/dbraw/zinc/74/62/22/570746222.db2.gz	WZFPVAOBNTWUEH-FYJGNVAPSA-N	0	0	358.825	3.328	40	30		FGEBRN
C=CCc1cc(C=NN2C(=O)CSC2=S)cc(OCC)c1OC	ZINC000409328496	570750340	/nfs/dbraw/zinc/75/03/40/570750340.db2.gz	WMGPPZKCWUNGGT-MFOYZWKCSA-N	0	0	350.465	3.017	40	30		FGEBRN
CCOc1ccc(C=NN2C(=O)CSC2=S)cc1Br	ZINC000409344446	570751738	/nfs/dbraw/zinc/75/17/38/570751738.db2.gz	JILZTANLKVYHDB-MKMNVTDBSA-N	0	0	359.270	3.042	40	30		FGEBRN
CC(C)Oc1ccc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409356577	570753380	/nfs/dbraw/zinc/75/33/80/570753380.db2.gz	IBXJAUVMJMQSTR-UHFFFAOYSA-N	0	0	357.797	3.425	40	30		FGEBRN
N#CCOc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409356690	570753439	/nfs/dbraw/zinc/75/34/39/570753439.db2.gz	HDMVANTXJIFCHK-UHFFFAOYSA-N	0	0	370.368	3.040	40	30		FGEBRN
Cc1cc(C)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1C#N	ZINC000409412734	571319561	/nfs/dbraw/zinc/31/95/61/571319561.db2.gz	ZUBLAJOMGJUEIP-UHFFFAOYSA-N	0	0	350.205	3.282	40	30		FGEBRN
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	ZINC000218115473	222677499	/nfs/dbraw/zinc/67/74/99/222677499.db2.gz	XWKDDDIBWIFTLI-SJORKVTESA-N	0	0	372.833	3.322	40	30		FGEBRN
C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC	ZINC000223049187	222763927	/nfs/dbraw/zinc/76/39/27/222763927.db2.gz	IGCBEBIYNXJSOF-HXUWFJFHSA-N	0	0	350.462	3.339	40	30		FGEBRN
N#Cc1c(F)cccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1	ZINC000329022690	223128953	/nfs/dbraw/zinc/12/89/53/223128953.db2.gz	OPTCFOCNVIFWFZ-UHFFFAOYSA-N	0	0	374.423	3.491	40	30		FGEBRN
N#Cc1c(F)cccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1	ZINC000329019847	223129247	/nfs/dbraw/zinc/12/92/47/223129247.db2.gz	NYOGNIBSUNMTGE-UHFFFAOYSA-N	0	0	374.423	3.491	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1	ZINC000013677721	220084867	/nfs/dbraw/zinc/08/48/67/220084867.db2.gz	FJVFXUKNERZECR-UHFFFAOYSA-N	0	0	374.462	3.290	40	30		FGEBRN
CCCOC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C	ZINC000016807599	220194754	/nfs/dbraw/zinc/19/47/54/220194754.db2.gz	VRCGMPIGZPNIHQ-UHFFFAOYSA-N	0	0	369.870	3.217	40	30		FGEBRN
CCN1c2ccccc2/C(=N/NC(=S)c2ccc3ccccc3n2)C1=O	ZINC000017108551	220205842	/nfs/dbraw/zinc/20/58/42/220205842.db2.gz	ARNSTYPJWGXBSV-PYCFMQQDSA-N	0	0	360.442	3.271	40	30		FGEBRN
COc1ccc(CCN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000017161695	220206824	/nfs/dbraw/zinc/20/68/24/220206824.db2.gz	RKWYGFXOYQMWJQ-IUXPMGMMSA-N	0	0	360.326	3.161	40	30		FGEBRN
O=C1N/C(=N\N=C/c2ccco2)S[C@H]1Cc1cccc(C(F)(F)F)c1	ZINC000019855610	220301799	/nfs/dbraw/zinc/30/17/99/220301799.db2.gz	IDKIWPXVDZEQTI-CCSWUNFSSA-N	0	0	367.352	3.463	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@H](C)C[C@H](C)C2)n1	ZINC000225923905	132250040	/nfs/dbraw/zinc/25/00/40/132250040.db2.gz	TWBLPMRNQIWRPJ-GASCZTMLSA-N	0	0	374.558	3.032	40	30		FGEBRN
CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(SC)cc2)cc1	ZINC000003270516	263328636	/nfs/dbraw/zinc/32/86/36/263328636.db2.gz	YPFZOFDLIHVQDV-SFQUDFHCSA-N	0	0	350.465	3.120	40	30		FGEBRN
C=CCn1c2ccccc2nc1N1CCC(C(=O)NC2CCCC2)CC1	ZINC000012116462	263369389	/nfs/dbraw/zinc/36/93/89/263369389.db2.gz	SCZOZIZNSOTBQQ-UHFFFAOYSA-N	0	0	352.482	3.498	40	30		FGEBRN
CC/N=C1/S/C(=C/c2cc(OC)c(OC)cc2OC)C(=O)N1CC	ZINC000408931129	263508023	/nfs/dbraw/zinc/50/80/23/263508023.db2.gz	HNYWYGCKWWOINU-HENYTUMCSA-N	0	0	350.440	3.025	40	30		FGEBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cccc3ccccc23)cc1	ZINC000001871129	493798797	/nfs/dbraw/zinc/79/87/97/493798797.db2.gz	DFHXBZFYJLGTFU-LDADJPATSA-N	0	0	355.375	3.060	40	30		FGEBRN
CC1=CC(=O)[C@@]2(C)[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@H]2S1(=O)=O	ZINC000004690294	493887708	/nfs/dbraw/zinc/88/77/08/493887708.db2.gz	HIZIVFAFGQVLQJ-FLYSZBIRSA-N	0	0	362.491	3.378	40	30		FGEBRN
C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C/c1ccco1	ZINC000004866459	493897595	/nfs/dbraw/zinc/89/75/95/493897595.db2.gz	GEKDRDHNGSAMLF-WLASYOMRSA-N	0	0	357.410	3.481	40	30		FGEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000005197201	493917993	/nfs/dbraw/zinc/91/79/93/493917993.db2.gz	QFSHLMQCPDQOFL-OBGWFSINSA-N	0	0	373.321	3.127	40	30		FGEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1O	ZINC000005668003	493939464	/nfs/dbraw/zinc/93/94/64/493939464.db2.gz	QFLRQIULGJWCJA-LPYMAVHISA-N	0	0	357.369	3.357	40	30		FGEBRN
CC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/N=C/c2ccc(O)cc2)s1	ZINC000005726500	493940838	/nfs/dbraw/zinc/94/08/38/493940838.db2.gz	JEBUQXQBFIVOLR-HCDAPJTOSA-N	0	0	372.837	3.430	40	30		FGEBRN
CCOC(=O)/C(=C\n1c(=O)sc2ccccc21)C(=O)c1ccccc1	ZINC000005853568	493944526	/nfs/dbraw/zinc/94/45/26/493944526.db2.gz	HOKODFITTJUAMH-OWBHPGMISA-N	0	0	353.399	3.350	40	30		FGEBRN
CCSc1nc2n(n1)[C@@H](c1ccccn1)C1C(=O)CC(C)(C)CC1=N2	ZINC000006134505	493953475	/nfs/dbraw/zinc/95/34/75/493953475.db2.gz	VIGFKJYQZINLMH-HNNXBMFYSA-N	0	0	355.467	3.443	40	30		FGEBRN
COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccccc1C#N	ZINC000006381113	493961338	/nfs/dbraw/zinc/96/13/38/493961338.db2.gz	WTVAFYFGKMTBBI-UHFFFAOYSA-N	0	0	368.458	3.154	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC	ZINC000008496498	494094524	/nfs/dbraw/zinc/09/45/24/494094524.db2.gz	UQNHAZJWHWHYDV-KRWDZBQOSA-N	0	0	368.433	3.407	40	30		FGEBRN
COc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2c1ccccc1OC	ZINC000085409428	494123148	/nfs/dbraw/zinc/12/31/48/494123148.db2.gz	XMAVVRUGTYNXAO-QGZVFWFLSA-N	0	0	374.400	3.421	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1	ZINC000014397236	494317558	/nfs/dbraw/zinc/31/75/58/494317558.db2.gz	QHYNQSLEVKXVSH-UHFFFAOYSA-N	0	0	374.462	3.290	40	30		FGEBRN
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1	ZINC000216776701	496992449	/nfs/dbraw/zinc/99/24/49/496992449.db2.gz	TWTYPLKDERUECH-OAQYLSRUSA-N	0	0	359.433	3.038	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218056289	496999944	/nfs/dbraw/zinc/99/99/44/496999944.db2.gz	WOPVTRZZWMQKRO-BZSNNMDCSA-N	0	0	361.850	3.436	40	30		FGEBRN
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	ZINC000218115541	497000203	/nfs/dbraw/zinc/00/02/03/497000203.db2.gz	XWKDDDIBWIFTLI-IRXDYDNUSA-N	0	0	372.833	3.322	40	30		FGEBRN
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218547363	497003714	/nfs/dbraw/zinc/00/37/14/497003714.db2.gz	CWPUUSLREALRNV-FGTMMUONSA-N	0	0	359.834	3.297	40	30		FGEBRN
COc1cc(C=NN2C(=S)N=NC2C2CCCCC2)cc(OC)c1O	ZINC000245241598	497377523	/nfs/dbraw/zinc/37/75/23/497377523.db2.gz	KKQPACSTVTYRPJ-UHFFFAOYSA-N	0	0	362.455	3.220	40	30		FGEBRN
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2cn[nH]c2)n1	ZINC000585295088	507587928	/nfs/dbraw/zinc/58/79/28/507587928.db2.gz	ZQAKCVGAAXWRMH-IBGZPJMESA-N	0	0	374.452	3.246	40	30		FGEBRN
N#Cc1ccc(Nc2cnc([C@H]3CCCCN3Cc3ccccn3)cn2)cn1	ZINC000585294416	507588107	/nfs/dbraw/zinc/58/81/07/507588107.db2.gz	QVLORRXBVRBRTC-HXUWFJFHSA-N	0	0	371.448	3.031	40	30		FGEBRN
C=CCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000224476041	518775976	/nfs/dbraw/zinc/77/59/76/518775976.db2.gz	QDKMDCIUQPXNGT-UHFFFAOYSA-N	0	0	372.490	3.074	40	30		FGEBRN
C=CCN(c1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1	ZINC000224368391	518806387	/nfs/dbraw/zinc/80/63/87/518806387.db2.gz	PECMMMQSHJWOJF-UHFFFAOYSA-N	0	0	370.474	3.304	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224806318	518810905	/nfs/dbraw/zinc/81/09/05/518810905.db2.gz	MNRSFPFGRRDKJJ-UHFFFAOYSA-N	0	0	372.446	3.151	40	30		FGEBRN
C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1cccs1	ZINC000225125667	518819702	/nfs/dbraw/zinc/81/97/02/518819702.db2.gz	XQEXXHZZLOEXKA-UHFFFAOYSA-N	0	0	351.449	3.306	40	30		FGEBRN
C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224803181	518820179	/nfs/dbraw/zinc/82/01/79/518820179.db2.gz	OROGOFCQZPXAIX-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O	ZINC000223188822	518916207	/nfs/dbraw/zinc/91/62/07/518916207.db2.gz	UMGUTRGPVPIEEV-HXUWFJFHSA-N	0	0	354.425	3.088	40	30		FGEBRN
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000224816656	519036420	/nfs/dbraw/zinc/03/64/20/519036420.db2.gz	ANRZSAOIICNPMQ-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
C[C@]12CCC(=O)[C@@]1(C)CC(=O)C1=C2C(=O)C(=O)C2C(C)(C)[C@@H](O)CC[C@]12C	ZINC000263597490	525344663	/nfs/dbraw/zinc/34/46/63/525344663.db2.gz	GVIAMIGKWDQCSW-MYEHCEBOSA-N	0	0	372.461	3.213	40	30		FGEBRN
CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2ccccn2)n1	ZINC000329001558	529356664	/nfs/dbraw/zinc/35/66/64/529356664.db2.gz	KFAPBHZOBUYKEY-CYBMUJFWSA-N	0	0	362.412	3.347	40	30		FGEBRN
C=CCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	ZINC000408973241	570705474	/nfs/dbraw/zinc/70/54/74/570705474.db2.gz	KSXWQQVTBRGFJC-NRFANRHFSA-N	0	0	366.486	3.419	40	30		FGEBRN
COc1ccc(C=NN2C(=S)N=NC2c2ccccc2)c(OC)c1C	ZINC000409062002	570717673	/nfs/dbraw/zinc/71/76/73/570717673.db2.gz	LKRQBGLXSKURQO-YBFXNURJSA-N	0	0	354.435	3.442	40	30		FGEBRN
C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O	ZINC000409123752	570727810	/nfs/dbraw/zinc/72/78/10/570727810.db2.gz	HTXORHXCLQVFHM-BOPFTXTBSA-N	0	0	366.377	3.081	40	30		FGEBRN
O=C(N=C1NC(=O)/C(=C/c2ccccc2O)S1)c1ccc(Cl)cc1	ZINC000409138082	570731602	/nfs/dbraw/zinc/73/16/02/570731602.db2.gz	ZSNCMNHDLSFGBC-ZROIWOOFSA-N	0	0	358.806	3.446	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1OCC	ZINC000409233010	570744439	/nfs/dbraw/zinc/74/44/39/570744439.db2.gz	CUJNJLCPFWQOLO-GXDHUFHOSA-N	0	0	362.813	3.053	40	30		FGEBRN
COC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2OC)c1	ZINC000409245892	570745326	/nfs/dbraw/zinc/74/53/26/570745326.db2.gz	AMNFEAJXOAPVMM-STZFKDTASA-N	0	0	354.406	3.069	40	30		FGEBRN
C=CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1	ZINC000219823358	571175186	/nfs/dbraw/zinc/17/51/86/571175186.db2.gz	IBQBOZSXDMXAGK-UHFFFAOYSA-N	0	0	358.350	3.186	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@H](C)C(=O)C=C[C@@]1(C)O	ZINC000958317927	762678945	/nfs/dbraw/zinc/67/89/45/762678945.db2.gz	BIGBTKXKWUHWLH-HDCQOPJRSA-N	0	0	350.455	3.012	40	30		FGEBRN
CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C1CC1	ZINC000001364683	219398718	/nfs/dbraw/zinc/39/87/18/219398718.db2.gz	UIDLYRQOESQTOF-UHFFFAOYSA-N	0	0	361.496	3.456	40	30		FGEBRN
Cc1ccc(C(=O)/C(=C\N(C)C)c2nnnn2-c2ccc(Cl)cc2)cc1	ZINC000012368356	219985690	/nfs/dbraw/zinc/98/56/90/219985690.db2.gz	ZIDQYESEYZQCBJ-SFQUDFHCSA-N	0	0	367.840	3.410	40	30		FGEBRN
CC(=CC(=O)ONC(=O)c1ccc(C)cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000016292021	220182677	/nfs/dbraw/zinc/18/26/77/220182677.db2.gz	HSPGHBXRMKPMCN-QBFSEMIESA-N	0	0	355.350	3.107	40	30		FGEBRN
CC(=O)O[C@]1(C)C=Cc2ccccc2/C1=N/S(=O)(=O)c1ccccc1	ZINC000016955581	220199294	/nfs/dbraw/zinc/19/92/94/220199294.db2.gz	IYGVTMMSYMSKCH-LAFOYAEKSA-N	0	0	355.415	3.213	40	30		FGEBRN
C#CCCOC(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1	ZINC000019117011	220236095	/nfs/dbraw/zinc/23/60/95/220236095.db2.gz	SUTCBEJKZIKVBI-GFCCVEGCSA-N	0	0	366.343	3.006	40	30		FGEBRN
O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCCCC1	ZINC000019399824	220255531	/nfs/dbraw/zinc/25/55/31/220255531.db2.gz	HLBACZAKAFTNJW-UHFFFAOYSA-N	0	0	356.429	3.293	40	30		FGEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(C(=O)c3ccccc3F)CC1)C2	ZINC000019460741	220260896	/nfs/dbraw/zinc/26/08/96/220260896.db2.gz	LAXFVIWMSHUGQK-OPAMFIHVSA-N	0	0	370.468	3.493	40	30		FGEBRN
O=[N+]([O-])c1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1	ZINC000019790548	220296873	/nfs/dbraw/zinc/29/68/73/220296873.db2.gz	DXLAPXDLGPZWKB-MOSHPQCFSA-N	0	0	358.829	3.400	40	30		FGEBRN
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000019959575	220306380	/nfs/dbraw/zinc/30/63/80/220306380.db2.gz	ZTTGTBCAVBHXNU-MGPLVRAMSA-N	0	0	356.451	3.364	40	30		FGEBRN
CCN(CC)S(=O)(=O)c1ccc(N=NC2CCCc3ccccc32)nc1	ZINC000021759668	220365822	/nfs/dbraw/zinc/36/58/22/220365822.db2.gz	NETMQTWYSWMZSA-DYTRJAOYSA-N	0	0	372.494	3.265	40	30		FGEBRN
CC(=O)O[C@@]1(C)C=Cc2ccccc2/C1=N\S(=O)(=O)c1ccccc1	ZINC000103124162	222321750	/nfs/dbraw/zinc/32/17/50/222321750.db2.gz	IYGVTMMSYMSKCH-WOOAAIBNSA-N	0	0	355.415	3.213	40	30		FGEBRN
CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2F)c(C#N)c1C	ZINC000009142083	263360394	/nfs/dbraw/zinc/36/03/94/263360394.db2.gz	WGBAZWJDXGZVPC-UHFFFAOYSA-N	0	0	357.366	3.368	40	30		FGEBRN
Cc1cccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	ZINC000017076595	263372173	/nfs/dbraw/zinc/37/21/73/263372173.db2.gz	MBBIBCFEDRREBN-WMZOPIPTSA-N	0	0	374.440	3.470	40	30		FGEBRN
CCn1cccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O	ZINC000409281201	263547360	/nfs/dbraw/zinc/54/73/60/263547360.db2.gz	KQNYIZFGLNZKDD-UHFFFAOYSA-N	0	0	359.227	3.171	40	30		FGEBRN
Cc1cc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)ccc1F	ZINC000409253008	263547526	/nfs/dbraw/zinc/54/75/26/263547526.db2.gz	UPRMPTRLZZXNBC-LPYMAVHISA-N	0	0	356.397	3.122	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1	ZINC000000795005	493772262	/nfs/dbraw/zinc/77/22/62/493772262.db2.gz	VPGFXBBLAOOTDO-WMLDXEAASA-N	0	0	371.364	3.176	40	30		FGEBRN
C=CCSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1	ZINC000002695066	493816551	/nfs/dbraw/zinc/81/65/51/493816551.db2.gz	ACGMEQSAAKPBPJ-SOFGYWHQSA-N	0	0	363.464	3.485	40	30		FGEBRN
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000004722534	493890487	/nfs/dbraw/zinc/89/04/87/493890487.db2.gz	VSGTWMOZGFNRPM-RSWUNGFYSA-N	0	0	360.494	3.055	40	30	in-vitro	FGEBRN
Cc1c(Br)c(/C=N/NC(N)=S)c(C)n1-c1ccccc1	ZINC000059104920	493902699	/nfs/dbraw/zinc/90/26/99/493902699.db2.gz	CIMOZFAKOYRCNQ-CAOOACKPSA-N	0	0	351.273	3.024	40	30		FGEBRN
CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(OC)cc1)O2	ZINC000005067801	493911812	/nfs/dbraw/zinc/91/18/12/493911812.db2.gz	GTRWMWKCKQQGHI-CPIREHHASA-N	0	0	350.378	3.060	40	30		FGEBRN
COc1ccc(/N=C2/c3cc(Br)ccc3N(C(C)=O)C2=O)cc1	ZINC000005378178	493928081	/nfs/dbraw/zinc/92/80/81/493928081.db2.gz	BVTYZKHVCPFAIN-MNDPQUGUSA-N	0	0	373.206	3.472	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2ccccc2I)nc1	ZINC000006079999	493950536	/nfs/dbraw/zinc/95/05/36/493950536.db2.gz	GLVGVKIQKPQHPR-VIZOYTHASA-N	0	0	368.134	3.040	40	30		FGEBRN
NC(=S)N/N=C/c1ccccc1OCc1ccc(Br)cc1	ZINC000006132879	493953430	/nfs/dbraw/zinc/95/34/30/493953430.db2.gz	HEXGGEMQEWSEAR-GIJQJNRQSA-N	0	0	364.268	3.195	40	30		FGEBRN
CNC(=S)N/N=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000032124969	493976501	/nfs/dbraw/zinc/97/65/01/493976501.db2.gz	FPPSJPUBDGPICU-ZDLGFXPLSA-N	0	0	360.464	3.482	40	30		FGEBRN
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@H]2c1ccc(Cl)cc1	ZINC000010339086	494150017	/nfs/dbraw/zinc/15/00/17/494150017.db2.gz	LZGZJPZUYVGDDS-ZDUSSCGKSA-N	0	0	369.856	3.495	40	30		FGEBRN
C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc(Br)c2)C1	ZINC000014164866	494308236	/nfs/dbraw/zinc/30/82/36/494308236.db2.gz	UQHXWTKCBDKFAA-BJOHPYRUSA-N	0	0	359.227	3.309	40	30		FGEBRN
COC(=O)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1	ZINC000016677848	494398512	/nfs/dbraw/zinc/39/85/12/494398512.db2.gz	GQFIKYMLFYTYDM-STZFKDTASA-N	0	0	357.841	3.283	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218388742	497002511	/nfs/dbraw/zinc/00/25/11/497002511.db2.gz	CKXJBNJNUOWCRQ-FGTMMUONSA-N	0	0	361.850	3.436	40	30		FGEBRN
CCCCc1nc(SCc2cccc(C(=O)OC)c2)nc(N)c1C#N	ZINC000225893052	497078284	/nfs/dbraw/zinc/07/82/84/497078284.db2.gz	IINWXYGKKGHDMP-UHFFFAOYSA-N	0	0	356.451	3.352	40	30		FGEBRN
C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@]1(O)c2cc4c(cc2O[C@@H]31)OCO4	ZINC000230149016	497102971	/nfs/dbraw/zinc/10/29/71/497102971.db2.gz	QAECYLYDFBBCCO-WVFSVQOHSA-N	0	0	366.369	3.009	40	30	biogenic,in-vitro	FGEBRN
N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[C@@H](c2ccccc2)C1	ZINC000256049325	497382860	/nfs/dbraw/zinc/38/28/60/497382860.db2.gz	ZIQCOZLHILNJKJ-OAHLLOKOSA-N	0	0	360.377	3.041	40	30		FGEBRN
CC(=O)Nc1ccc(Nc2cc(C(F)(F)F)nc(N[C@@H](C)CO)n2)cc1	ZINC000328987620	499007952	/nfs/dbraw/zinc/00/79/52/499007952.db2.gz	IBWQEEPDIRCVOI-VIFPVBQESA-N	0	0	369.347	3.062	40	30		FGEBRN
Fc1cnc(N=NCc2ccc(Cl)c(Cl)c2)nc1N1CCOCC1	ZINC000408730330	499594613	/nfs/dbraw/zinc/59/46/13/499594613.db2.gz	PSOGCPGPLKLMBE-ZBKNUEDVSA-N	0	0	370.215	3.205	40	30		FGEBRN
C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccccn1)C2	ZINC000585106677	507572126	/nfs/dbraw/zinc/57/21/26/507572126.db2.gz	FEGQGTJIEWZKIO-JOCHJYFZSA-N	0	0	371.444	3.015	40	30		FGEBRN
Cn1cnc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1	ZINC000585295419	507588406	/nfs/dbraw/zinc/58/84/06/507588406.db2.gz	YVOHALSSWXTOTD-LJQANCHMSA-N	0	0	359.437	3.162	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224751762	518810661	/nfs/dbraw/zinc/81/06/61/518810661.db2.gz	AGSALECZOWUGRO-UHFFFAOYSA-N	0	0	357.391	3.042	40	30		FGEBRN
C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1	ZINC000224910721	518813059	/nfs/dbraw/zinc/81/30/59/518813059.db2.gz	JAWBYFZNTSUCOR-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1cccs1	ZINC000225140924	518815252	/nfs/dbraw/zinc/81/52/52/518815252.db2.gz	PELPLEXLNJBACH-UHFFFAOYSA-N	0	0	351.449	3.306	40	30		FGEBRN
C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000224651160	518816563	/nfs/dbraw/zinc/81/65/63/518816563.db2.gz	DHWCHIKMZHJSNK-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccc(F)cc3)[C@]21C#N	ZINC000019874877	521695138	/nfs/dbraw/zinc/69/51/38/521695138.db2.gz	JHXWOSNCSXBZOP-NUEKZKHPSA-N	0	0	360.483	3.474	40	30		FGEBRN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1	ZINC000085409684	523278045	/nfs/dbraw/zinc/27/80/45/523278045.db2.gz	IEGVKZUFGVNYDF-GOSISDBHSA-N	0	0	366.417	3.005	40	30		FGEBRN
CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC	ZINC000271778442	525293447	/nfs/dbraw/zinc/29/34/47/525293447.db2.gz	XDOTVMNBCQVZKG-UHFFFAOYSA-N	0	0	354.479	3.079	40	30		FGEBRN
N#CC(=CNNC(=S)NN=C[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000008615990	526504332	/nfs/dbraw/zinc/50/43/32/526504332.db2.gz	UWZJEMIGAXVKBG-SSPFCCGYSA-N	0	0	360.446	3.037	40	30		FGEBRN
COC(=O)c1ccccc1-c1ccc(CN=Nc2ncccc2[N+](=O)[O-])o1	ZINC000409086845	570721546	/nfs/dbraw/zinc/72/15/46/570721546.db2.gz	HJAXCWDVAYNENS-RGVLZGJSSA-N	0	0	366.333	3.482	40	30		FGEBRN
Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1C#N	ZINC000409196824	571319500	/nfs/dbraw/zinc/31/95/00/571319500.db2.gz	ZDCPYIHYYYPLNB-YBFXNURJSA-N	0	0	370.412	3.392	40	30		FGEBRN
COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2ccc(C)cc2[nH]c1=O	ZINC000000883089	219336326	/nfs/dbraw/zinc/33/63/26/219336326.db2.gz	URURYRILHZHNED-INIZCTEOSA-N	0	0	361.401	3.166	40	30		FGEBRN
O=C(O/N=C1/c2ccccc2N(C(=O)c2ccccc2)C1=O)c1ccccc1	ZINC000001027893	219354647	/nfs/dbraw/zinc/35/46/47/219354647.db2.gz	GKJDDBVXFMXUEG-NMWGTECJSA-N	0	0	370.364	3.435	40	30		FGEBRN
N#Cc1cccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)cnc4[C@@H]3C2)c1	ZINC000306129536	223108033	/nfs/dbraw/zinc/10/80/33/223108033.db2.gz	IGJSKFBSWMVDMF-RTBURBONSA-N	0	0	369.428	3.076	40	30		FGEBRN
Cc1ccc2c(C)nc(NC3=NCN([C@H]4CCC[C@H](C)[C@@H]4C)CN3)nc2c1	ZINC000019327107	220249200	/nfs/dbraw/zinc/24/92/00/220249200.db2.gz	UVJAURJSRPJZJF-DOXZYTNZSA-N	0	0	366.513	3.469	40	30		FGEBRN
CC(=O)Nc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1	ZINC000019596594	220280993	/nfs/dbraw/zinc/28/09/93/220280993.db2.gz	BFBCFNCQCNXAJI-UHFFFAOYSA-N	0	0	350.418	3.346	40	30		FGEBRN
COc1ccc(/C=N/N2C(=O)CN(C(C)C)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000055190211	221061140	/nfs/dbraw/zinc/06/11/40/221061140.db2.gz	BQEJVYDRCGJWFJ-UKKLRFBMSA-N	0	0	367.449	3.289	40	30		FGEBRN
COC(=O)C1=C(NC(=O)c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1C	ZINC000098175598	222230244	/nfs/dbraw/zinc/23/02/44/222230244.db2.gz	HJWMFHMVKDGYFC-LBPRGKRZSA-N	0	0	369.417	3.111	40	30		FGEBRN
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C#N)N2C=Cc4ccccc4[C@H]32)cc1C	ZINC000101358871	222271663	/nfs/dbraw/zinc/27/16/63/222271663.db2.gz	SBYZGZPMKFVJRF-XRXFAXGQSA-N	0	0	369.424	3.342	40	30		FGEBRN
COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)cc1	ZINC000102676501	222304399	/nfs/dbraw/zinc/30/43/99/222304399.db2.gz	ZPXPMXLZTDRJBW-YAJHFMINSA-N	0	0	362.389	3.204	40	30		FGEBRN
CCCCCCCCCCCCCCCC(=O)N=C(C(N)=O)C(N)=O	ZINC000104119599	222349951	/nfs/dbraw/zinc/34/99/51/222349951.db2.gz	QBHBULITKGBRLL-UHFFFAOYSA-N	0	0	353.507	3.406	40	30		FGEBRN
COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1	ZINC000006486670	263345609	/nfs/dbraw/zinc/34/56/09/263345609.db2.gz	OLFUPPRMDOPGRU-UHFFFAOYSA-N	0	0	370.430	3.303	40	30		FGEBRN
CCOC(=O)Cn1cc(/C=N/NCc2ccccc2OC)c2ccccc21	ZINC000020762092	263383179	/nfs/dbraw/zinc/38/31/79/263383179.db2.gz	IPAKIGSYFSOPCL-YDZHTSKRSA-N	0	0	365.433	3.337	40	30		FGEBRN
O=C1N=C(N=CC(Cl)(Cl)Cl)N[C@H](C(Cl)(Cl)Cl)O1	ZINC000003135428	493831018	/nfs/dbraw/zinc/83/10/18/493831018.db2.gz	PKGVQJAMIKYNTK-GHBUHBNNSA-N	0	0	361.827	3.220	40	30		FGEBRN
CN(C)c1oc(/C=[NH+]/Cc2ccc(C(=O)[O-])cc2)cc1Br	ZINC000059104901	493902789	/nfs/dbraw/zinc/90/27/89/493902789.db2.gz	DEVJBHGQDXONOE-RQZCQDPDSA-N	0	0	351.200	3.425	40	30		FGEBRN
C=CCc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(OCC)c1O	ZINC000059249387	493902813	/nfs/dbraw/zinc/90/28/13/493902813.db2.gz	YQTKVMHRFXILMV-CIAFOILYSA-N	0	0	350.374	3.150	40	30		FGEBRN
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000005120321	493914571	/nfs/dbraw/zinc/91/45/71/493914571.db2.gz	GICAOJTUXIXEIU-UHFFFAOYSA-N	0	0	374.462	3.031	40	30		FGEBRN
CCOc1cc(/C=N/NC(N)=S)ccc1OCc1cccc(Cl)c1	ZINC000006078645	493950441	/nfs/dbraw/zinc/95/04/41/493950441.db2.gz	OMXKBSNPDNGRGV-KEBDBYFISA-N	0	0	363.870	3.485	40	30		FGEBRN
COc1ccccc1[C@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@]1(C#N)C(=N)O3	ZINC000006166171	493953514	/nfs/dbraw/zinc/95/35/14/493953514.db2.gz	SQOKEPRIYFHPFR-YAJHFMINSA-N	0	0	362.389	3.204	40	30		FGEBRN
C=C(CC)C[C@@H]1C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	ZINC000032068391	493973117	/nfs/dbraw/zinc/97/31/17/493973117.db2.gz	DDETXFVRKGDIDT-SZNDQCEHSA-N	0	0	352.434	3.297	40	30		FGEBRN
Cc1cc2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2cc1C	ZINC000034791577	494068972	/nfs/dbraw/zinc/06/89/72/494068972.db2.gz	PVUUHGFUFNBJBX-MRXNPFEDSA-N	0	0	355.463	3.111	40	30		FGEBRN
COc1ccccc1-c1nc(SCC(=O)Nc2ccccc2C#N)n[nH]1	ZINC000010475508	494155366	/nfs/dbraw/zinc/15/53/66/494155366.db2.gz	XNZZBGVQJFEZLM-UHFFFAOYSA-N	0	0	365.418	3.083	40	30		FGEBRN
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2C#N)n1	ZINC000014152773	494307209	/nfs/dbraw/zinc/30/72/09/494307209.db2.gz	AMUQPRFZWIIZKT-UHFFFAOYSA-N	0	0	352.341	3.406	40	30		FGEBRN
O=C(NCC#CCN1CCc2ccccc2C1)c1nc2ccccc2s1	ZINC000075165031	494701069	/nfs/dbraw/zinc/70/10/69/494701069.db2.gz	BWEJMDMOFGFCMJ-UHFFFAOYSA-N	0	0	361.470	3.088	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1	ZINC000222456570	497024214	/nfs/dbraw/zinc/02/42/14/497024214.db2.gz	AEAMKMWLSOBTCV-UHFFFAOYSA-N	0	0	374.462	3.208	40	30		FGEBRN
C[C@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)C1	ZINC000225858763	497077479	/nfs/dbraw/zinc/07/74/79/497077479.db2.gz	KIBQAUXPOSDKMH-AWEZNQCLSA-N	0	0	370.884	3.445	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000242701868	497355459	/nfs/dbraw/zinc/35/54/59/497355459.db2.gz	WOPVTRZZWMQKRO-KZNAEPCWSA-N	0	0	361.850	3.436	40	30		FGEBRN
Cc1cc(C)cc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1	ZINC000256048869	497382620	/nfs/dbraw/zinc/38/26/20/497382620.db2.gz	WSZRIISUHOIJJE-UHFFFAOYSA-N	0	0	372.476	3.078	40	30		FGEBRN
CC(C)(C)[C@]1(C)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O	ZINC000193752237	497468917	/nfs/dbraw/zinc/46/89/17/497468917.db2.gz	XYWPKTOJKCLINK-MRXNPFEDSA-N	0	0	364.243	3.177	40	30		FGEBRN
N#Cc1cccc(C(=O)N2CC3(C2)C[C@@H](OCC2CCCC2)CCO3)c1	ZINC000575403642	505972600	/nfs/dbraw/zinc/97/26/00/505972600.db2.gz	JIUHUXUGSWQAMP-IBGZPJMESA-N	0	0	354.450	3.139	40	30		FGEBRN
N#Cc1cccc(C(=O)N2CC3(C2)C[C@H](OCC2CCCC2)CS3)c1	ZINC000575405720	505973391	/nfs/dbraw/zinc/97/33/91/505973391.db2.gz	ZKCCUVKGDIIWJH-SFHVURJKSA-N	0	0	356.491	3.465	40	30		FGEBRN
C=CCOc1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1	ZINC000408614599	499593218	/nfs/dbraw/zinc/59/32/18/499593218.db2.gz	FCOAJTSCGPBGPT-HNNXBMFYSA-N	0	0	374.462	3.045	40	30		FGEBRN
O=C(Cn1cc(/C=N\C2CCCCC2)c2ccccc21)N1CCOCC1	ZINC000408962072	499595450	/nfs/dbraw/zinc/59/54/50/499595450.db2.gz	PNKYKYKPNDZORQ-HMAPJEAMSA-N	0	0	353.466	3.252	40	30		FGEBRN
C#CCOc1c(Cl)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1OCC	ZINC000409098257	499595815	/nfs/dbraw/zinc/59/58/15/499595815.db2.gz	OYGLQHKKAFRWEO-RGVLZGJSSA-N	0	0	374.784	3.500	40	30		FGEBRN
CC(N=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1cccs1	ZINC000007780265	518464526	/nfs/dbraw/zinc/46/45/26/518464526.db2.gz	SUUXBWCPIKMQPD-QGOAFFKASA-N	0	0	364.496	3.154	40	30		FGEBRN
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224823235	518810106	/nfs/dbraw/zinc/81/01/06/518810106.db2.gz	BSBZFQGBKSKLGA-UHFFFAOYSA-N	0	0	365.838	3.493	40	30		FGEBRN
CCOC(=O)C(=O)/C=C\[C@H]1[C@H](C)CC=C[C@@H]1NC(=O)OCc1ccccc1	ZINC000104245643	520402353	/nfs/dbraw/zinc/40/23/53/520402353.db2.gz	DSVLISNTLNSKSI-YKMHILCBSA-N	0	0	371.433	3.182	40	30		FGEBRN
CC1=C/C(=N\OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C(C)C)=CC1=O	ZINC000016779859	520849368	/nfs/dbraw/zinc/84/93/68/520849368.db2.gz	YHVVFUZRWGZGAJ-NBVRZTHBSA-N	0	0	373.321	3.127	40	30		FGEBRN
CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(C(F)(F)F)n1	ZINC000329008985	529357680	/nfs/dbraw/zinc/35/76/80/529357680.db2.gz	LTZPMZNHCDQMCL-SECBINFHSA-N	0	0	353.323	3.304	40	30		FGEBRN
C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCCC	ZINC000409082017	570720269	/nfs/dbraw/zinc/72/02/69/570720269.db2.gz	RIKKCIIUQSVNGM-LFIBNONCSA-N	0	0	374.462	3.319	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O	ZINC000409136664	570731163	/nfs/dbraw/zinc/73/11/63/570731163.db2.gz	SQCDLVKBTLBTKK-GXDHUFHOSA-N	0	0	366.402	3.386	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O	ZINC000409137562	570731494	/nfs/dbraw/zinc/73/14/94/570731494.db2.gz	YDIRTWUOHRSDFZ-UKTHLTGXSA-N	0	0	350.802	3.216	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218106041	222677213	/nfs/dbraw/zinc/67/72/13/222677213.db2.gz	FJBZOHUXLUKREY-UFYCRDLUSA-N	0	0	371.458	3.100	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(C)c1	ZINC000223433620	222779374	/nfs/dbraw/zinc/77/93/74/222779374.db2.gz	OOYROHWJUPCSQQ-UHFFFAOYSA-N	0	0	352.434	3.491	40	30		FGEBRN
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000000794989	219322666	/nfs/dbraw/zinc/32/26/66/219322666.db2.gz	SZWWBNLWNZJLQP-QAPCUYQASA-N	0	0	367.401	3.345	40	30		FGEBRN
N#Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C#N)cc3)n2)cc1	ZINC000000898402	219337671	/nfs/dbraw/zinc/33/76/71/219337671.db2.gz	CCFXNRKPUROIKE-UHFFFAOYSA-N	0	0	369.336	3.263	40	30		FGEBRN
COc1ccc(Cl)cc1/C=C\C=N/c1ccc(S(N)(=O)=O)cc1	ZINC000005030980	219642094	/nfs/dbraw/zinc/64/20/94/219642094.db2.gz	BPYINGGETDQRCD-WRPFZODHSA-N	0	0	350.827	3.412	40	30		FGEBRN
COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1	ZINC000012481292	220000369	/nfs/dbraw/zinc/00/03/69/220000369.db2.gz	RNIUOPPRTMOPAE-UHFFFAOYSA-N	0	0	360.417	3.265	40	30		FGEBRN
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)cc1	ZINC000013590392	220077047	/nfs/dbraw/zinc/07/70/47/220077047.db2.gz	NNGBVDMCFAWBHN-JWYAOZQWSA-N	0	0	363.461	3.064	40	30		FGEBRN
O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12	ZINC000019959890	220308768	/nfs/dbraw/zinc/30/87/68/220308768.db2.gz	FBSXJLNPHRQVAO-ZMZPIMSZSA-N	0	0	350.353	3.426	40	30		FGEBRN
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000019959665	220309240	/nfs/dbraw/zinc/30/92/40/220309240.db2.gz	SNZIKKHZUGVLBA-ANRSDYALSA-N	0	0	359.773	3.108	40	30		FGEBRN
COc1ccc(C2N=NC(=S)N2N=Cc2ccc(OC)c(OC)c2)cc1	ZINC000004680169	263335648	/nfs/dbraw/zinc/33/56/48/263335648.db2.gz	DVVZYVKFFQFGHO-ODLFYWEKSA-N	0	0	370.434	3.142	40	30		FGEBRN
COc1cc(/C=N/n2c(C)nnc2C)ccc1OC(=O)c1ccc(F)cc1	ZINC000006687173	263346241	/nfs/dbraw/zinc/34/62/41/263346241.db2.gz	FWGXHDKRUPUIHX-SRZZPIQSSA-N	0	0	368.368	3.144	40	30		FGEBRN
C=CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(F)c1	ZINC000000784856	493772146	/nfs/dbraw/zinc/77/21/46/493772146.db2.gz	DTZXFUVSJWFOFC-UHFFFAOYSA-N	0	0	369.421	3.452	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F	ZINC000000795009	493772765	/nfs/dbraw/zinc/77/27/65/493772765.db2.gz	GWCVOIPNOZSQEZ-YVEFUNNKSA-N	0	0	371.364	3.176	40	30		FGEBRN
COc1ccc([C@@]23O[C@@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2C3=O)cc1	ZINC000001667881	493798035	/nfs/dbraw/zinc/79/80/35/493798035.db2.gz	XFOPTVJYFVBADW-GIVPXCGWSA-N	0	0	368.385	3.428	40	30		FGEBRN
COc1ccc(Br)cc1/C=N\N=C1/C(=O)Nc2ccccc21	ZINC000004582637	493883639	/nfs/dbraw/zinc/88/36/39/493883639.db2.gz	KSSSNBLTTBRENS-NVMNQCDNSA-N	0	0	358.195	3.233	40	30		FGEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005197206	493918122	/nfs/dbraw/zinc/91/81/22/493918122.db2.gz	OBEVQVBZPARNMA-NBVRZTHBSA-N	0	0	373.321	3.127	40	30		FGEBRN
CC(=O)N1c2ccc(Br)cc2C(=NNc2ccccc2)C1=O	ZINC000006159137	493953259	/nfs/dbraw/zinc/95/32/59/493953259.db2.gz	CUNCNDLPBKDGFK-CYVLTUHYSA-N	0	0	358.195	3.158	40	30		FGEBRN
Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCN(C)CC2)cc1	ZINC000036293414	494089306	/nfs/dbraw/zinc/08/93/06/494089306.db2.gz	REMGKAYFVBMNRJ-UHFFFAOYSA-N	0	0	352.507	3.195	40	30		FGEBRN
C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccco1)C2	ZINC000009936433	494137607	/nfs/dbraw/zinc/13/76/07/494137607.db2.gz	ADLUGYKIBMUSME-CQSZACIVSA-N	0	0	363.421	3.383	40	30		FGEBRN
CC(=O)C1=C(C)Nc2nc(N3CCCCC3)nc(N)c2[C@@H]1c1ccccc1	ZINC000013637610	494291481	/nfs/dbraw/zinc/29/14/81/494291481.db2.gz	DZZPYMKRJIAKTB-QGZVFWFLSA-N	0	0	363.465	3.470	40	30		FGEBRN
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CO	ZINC000118917950	495053853	/nfs/dbraw/zinc/05/38/53/495053853.db2.gz	QREPSQOWKKIPJJ-WIYVELFVSA-N	0	0	360.494	3.057	40	30		FGEBRN
C#CCOC(=O)c1ccc(-c2ccc(I)cc2)o1	ZINC000216768855	496992283	/nfs/dbraw/zinc/99/22/83/496992283.db2.gz	XDVXWEQAJNYELV-UHFFFAOYSA-N	0	0	352.127	3.341	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218105870	497000401	/nfs/dbraw/zinc/00/04/01/497000401.db2.gz	FJBZOHUXLUKREY-AABGKKOBSA-N	0	0	371.458	3.100	40	30		FGEBRN
C=CCNC(=S)Nc1ncc(Br)cc1Br	ZINC000223917981	497044797	/nfs/dbraw/zinc/04/47/97/497044797.db2.gz	ITXPMUQZLBRVRY-UHFFFAOYSA-N	0	0	351.067	3.079	40	30		FGEBRN
COc1ccccc1COc1nn(Cc2ccc(F)cc2)c(N)c1C#N	ZINC000225843042	497077512	/nfs/dbraw/zinc/07/75/12/497077512.db2.gz	FQOFDZXJLOCONL-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
O=[N+]([O-])c1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1N1CCCCC1	ZINC000254739012	497350646	/nfs/dbraw/zinc/35/06/46/497350646.db2.gz	RBRYZPCRTDMVGN-UHFFFAOYSA-N	0	0	366.381	3.319	40	30		FGEBRN
O=C(NCc1c(F)cccc1N1CCCC1)N1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC000329340414	499103622	/nfs/dbraw/zinc/10/36/22/499103622.db2.gz	OGCWLKHLEKEAJV-SJLPKXTDSA-N	0	0	374.460	3.423	40	30		FGEBRN
Cn1ccnc1CN1CCC[C@@H]1c1csc(Nc2cc(C#N)ccn2)n1	ZINC000585294827	507588022	/nfs/dbraw/zinc/58/80/22/507588022.db2.gz	KQNWSCDBLPPEKH-OAHLLOKOSA-N	0	0	365.466	3.224	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224840826	518812280	/nfs/dbraw/zinc/81/22/80/518812280.db2.gz	LBFCZEPJJWTZIB-UHFFFAOYSA-N	0	0	367.373	3.117	40	30		FGEBRN
C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)cc1	ZINC000224853564	518814186	/nfs/dbraw/zinc/81/41/86/518814186.db2.gz	YACHRCTXYHPAOA-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
C=CC[C@@H]1C(=O)C=C(OC)[C@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@@H]12	ZINC000257397879	519107182	/nfs/dbraw/zinc/10/71/82/519107182.db2.gz	COELSLLVNMRXHB-KGQZLLCUSA-N	0	0	372.417	3.182	40	30		FGEBRN
Cc1cc(C(F)(F)F)nc(N=NCc2ccn(CC(F)(F)F)n2)n1	ZINC000225391511	524205595	/nfs/dbraw/zinc/20/55/95/524205595.db2.gz	XQNIPFYEBMZJLA-PTXOJBNSSA-N	0	0	352.242	3.009	40	30		FGEBRN
N#Cc1cc(F)ccc1C(=O)Nc1ccc(CSc2nc[nH]n2)cc1	ZINC000020611361	526558861	/nfs/dbraw/zinc/55/88/61/526558861.db2.gz	KULLCDBFOXCLPA-UHFFFAOYSA-N	0	0	353.382	3.360	40	30		FGEBRN
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1	ZINC000408869747	570694090	/nfs/dbraw/zinc/69/40/90/570694090.db2.gz	QUNRRFDKHCFZFC-JYRVWZFOSA-N	0	0	359.363	3.396	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	ZINC000409133291	570730841	/nfs/dbraw/zinc/73/08/41/570730841.db2.gz	RYULQMCYAZPBHG-LDADJPATSA-N	0	0	351.406	3.181	40	30		FGEBRN
C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000409205080	570740655	/nfs/dbraw/zinc/74/06/55/570740655.db2.gz	LCDWWXGTRLTLDD-SFQUDFHCSA-N	0	0	364.401	3.353	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1	ZINC000409299118	570749218	/nfs/dbraw/zinc/74/92/18/570749218.db2.gz	QWPYWNYQQOJDNF-UHFFFAOYSA-N	0	0	360.186	3.489	40	30		FGEBRN
Cc1ncc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)[nH]1	ZINC000328764880	571140960	/nfs/dbraw/zinc/14/09/60/571140960.db2.gz	GPCKNESQKNSHTC-CYBMUJFWSA-N	0	0	359.430	3.159	40	30		FGEBRN
CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218045411	222675718	/nfs/dbraw/zinc/67/57/18/222675718.db2.gz	RTRAGWLEUVIDQT-HSALFYBXSA-N	0	0	355.459	3.481	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218362136	222681436	/nfs/dbraw/zinc/68/14/36/222681436.db2.gz	RFLKWMVSTSCAJK-SLFFLAALSA-N	0	0	355.459	3.400	40	30		FGEBRN
N#Cc1c(F)cccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1	ZINC000329030366	223129012	/nfs/dbraw/zinc/12/90/12/223129012.db2.gz	QDUWETOEQKMPPE-UHFFFAOYSA-N	0	0	374.423	3.491	40	30		FGEBRN
Cc1cccc(C)c1NC(=O)[C@H]1CN(c2c(C)cccc2C)C(=O)/C1=N/O	ZINC000016952802	220198822	/nfs/dbraw/zinc/19/88/22/220198822.db2.gz	UXYTXQQYBQSZPT-FVOSJULTSA-N	0	0	365.433	3.352	40	30		FGEBRN
O=C(Nc1ccccc1)C(Br)=NNc1ccc([N+](=O)[O-])cc1	ZINC000022130348	220377332	/nfs/dbraw/zinc/37/73/32/220377332.db2.gz	QYCDUIDTGPXYGM-QGOAFFKASA-N	0	0	363.171	3.354	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1	ZINC000225926112	132249877	/nfs/dbraw/zinc/24/98/77/132249877.db2.gz	AGMGRIZBBRRLKH-QWRGUYRKSA-N	0	0	373.448	3.450	40	30		FGEBRN
C#Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(N)=O)c2)cc1	ZINC000004859349	132255637	/nfs/dbraw/zinc/25/56/37/132255637.db2.gz	AWICOESPFHCGMC-UHFFFAOYSA-N	0	0	361.445	3.255	40	30		FGEBRN
COc1ccc2c(c1)CCC(c1nc3cccc([N+](=O)[O-])c3[nH]c1=O)C2=O	ZINC000104238288	222354197	/nfs/dbraw/zinc/35/41/97/222354197.db2.gz	MPYLKSRGURPQFD-DTQAZKPQSA-N	0	0	365.345	3.051	40	30		FGEBRN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)cc1	ZINC000003526647	263329932	/nfs/dbraw/zinc/32/99/32/263329932.db2.gz	FLMGCIFVNVYKIW-LDADJPATSA-N	0	0	371.374	3.167	40	30		FGEBRN
C/N=C1/S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)N1C	ZINC000408930575	263508034	/nfs/dbraw/zinc/50/80/34/263508034.db2.gz	YYUOBCGFTAKBMJ-HENYTUMCSA-N	0	0	373.390	3.395	40	30		FGEBRN
CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1C	ZINC000001965030	493800619	/nfs/dbraw/zinc/80/06/19/493800619.db2.gz	RFVUVUOQZFAXHN-UHFFFAOYSA-N	0	0	359.363	3.265	40	30		FGEBRN
Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1	ZINC000005059933	493911853	/nfs/dbraw/zinc/91/18/53/493911853.db2.gz	HJGRODODJPAHKG-KRWDZBQOSA-N	0	0	359.447	3.005	40	30		FGEBRN
CN(C)c1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccc2c(c1)OCO2	ZINC000006135748	493953331	/nfs/dbraw/zinc/95/33/31/493953331.db2.gz	JRIMNSARQMQVSF-FPLPWBNLSA-N	0	0	355.350	3.198	40	30		FGEBRN
Cn1c(CNC(=O)c2ccc(C#Cc3ccccc3)nc2)nc2ccccc21	ZINC000012146866	494209589	/nfs/dbraw/zinc/20/95/89/494209589.db2.gz	MQSQRLOTAJZZQL-UHFFFAOYSA-N	0	0	366.424	3.298	40	30		FGEBRN
COc1ccc(/C=C/C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1OC	ZINC000015274477	494344804	/nfs/dbraw/zinc/34/48/04/494344804.db2.gz	YYGVWBCOVUSNQT-SOFGYWHQSA-N	0	0	374.389	3.331	40	30		FGEBRN
N#Cc1ccccc1Cn1cc(C=NN2CN=NC2=S)c2ccccc21	ZINC000075260288	494713662	/nfs/dbraw/zinc/71/36/62/494713662.db2.gz	YZHGOLZUZFWESX-LSHDLFTRSA-N	0	0	358.430	3.324	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NC[C@H]1CCCO1	ZINC000100413165	495064698	/nfs/dbraw/zinc/06/46/98/495064698.db2.gz	JVRFOPGGFTYLHN-JJUBJSHISA-N	0	0	356.397	3.250	40	30		FGEBRN
C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1	ZINC000205780673	496973807	/nfs/dbraw/zinc/97/38/07/496973807.db2.gz	GLKMMDZPHKDXCG-XNTDXEJSSA-N	0	0	361.419	3.239	40	30		FGEBRN
N#C[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218534705	497003823	/nfs/dbraw/zinc/00/38/23/497003823.db2.gz	SNQFDMZDBLOTRL-JYJNAYRXSA-N	0	0	367.257	3.154	40	30		FGEBRN
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	ZINC000225656143	497070552	/nfs/dbraw/zinc/07/05/52/497070552.db2.gz	WVGMOKCEXWYOMF-UFYCRDLUSA-N	0	0	355.459	3.345	40	30		FGEBRN
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225655751	497070945	/nfs/dbraw/zinc/07/09/45/497070945.db2.gz	IGBIWGLJVMEBNC-BZSNNMDCSA-N	0	0	361.850	3.090	40	30		FGEBRN
C[C@@]12C[C@@H](O)[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1	ZINC000253629646	497346441	/nfs/dbraw/zinc/34/64/41/497346441.db2.gz	RJTDWMKVQUPGSY-VIHOIMEUSA-N	0	0	356.462	3.341	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000242495606	497354673	/nfs/dbraw/zinc/35/46/73/497354673.db2.gz	GLBVMFYOFSNHPH-KZNAEPCWSA-N	0	0	359.834	3.297	40	30		FGEBRN
CC1(CNC(=O)N2CCOc3cc(O)ccc3C2)Cc2ccccc2C1	ZINC000329384626	499112954	/nfs/dbraw/zinc/11/29/54/499112954.db2.gz	PLXDMMDROHGFNF-UHFFFAOYSA-N	0	0	352.434	3.306	40	30		FGEBRN
CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000408719480	499594545	/nfs/dbraw/zinc/59/45/45/499594545.db2.gz	PUOZFWQDQFQMQI-MRXNPFEDSA-N	0	0	357.391	3.237	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O	ZINC000408917189	499595155	/nfs/dbraw/zinc/59/51/55/499595155.db2.gz	OLZBTOFHFLITBP-LFIBNONCSA-N	0	0	367.382	3.403	40	30		FGEBRN
CCOC(=O)C1=C(C)NC(SCC#N)=N[C@@H]1c1ccccc1OCC	ZINC000408994348	499595403	/nfs/dbraw/zinc/59/54/03/499595403.db2.gz	YRAPZSGEFTZBBX-MRXNPFEDSA-N	0	0	359.451	3.179	40	30		FGEBRN
C=C(C)CN1CCN(C(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)CC1	ZINC000057811670	518604911	/nfs/dbraw/zinc/60/49/11/518604911.db2.gz	PGCOYCQPGLWMFQ-UHFFFAOYSA-N	0	0	372.900	3.476	40	30		FGEBRN
C=CCN(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000225147848	518778596	/nfs/dbraw/zinc/77/85/96/518778596.db2.gz	AEMKERMYTJBCTJ-UHFFFAOYSA-N	0	0	359.447	3.159	40	30		FGEBRN
C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224821205	518809463	/nfs/dbraw/zinc/80/94/63/518809463.db2.gz	RPBZVSQNEVSNSQ-UHFFFAOYSA-N	0	0	359.447	3.456	40	30		FGEBRN
C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224776406	518821300	/nfs/dbraw/zinc/82/13/00/518821300.db2.gz	HZTCCRNVBYCOBF-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000032422864	519026959	/nfs/dbraw/zinc/02/69/59/519026959.db2.gz	SZLNUUNKGBGREX-AWEZNQCLSA-N	0	0	359.447	3.146	40	30		FGEBRN
C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2OC)s1	ZINC000039989279	519089121	/nfs/dbraw/zinc/08/91/21/519089121.db2.gz	NJAFPSMHJIWVDW-JTQLQIEISA-N	0	0	351.453	3.231	40	30		FGEBRN
C=CCc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC	ZINC000223855438	519128420	/nfs/dbraw/zinc/12/84/20/519128420.db2.gz	FPWFAHUYSVKOTO-CQSZACIVSA-N	0	0	373.474	3.318	40	30		FGEBRN
CCOc1cc(C=NN2C(=S)N=NC2c2ccc(OC)cc2)ccc1O	ZINC000001473620	520647538	/nfs/dbraw/zinc/64/75/38/520647538.db2.gz	RCMBAIBUVUVDKE-ODLFYWEKSA-N	0	0	370.434	3.229	40	30		FGEBRN
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCC#N	ZINC000033890160	522008411	/nfs/dbraw/zinc/00/84/11/522008411.db2.gz	ZCDUYGNFOAWOSN-UWVJOHFNSA-N	0	0	361.745	3.000	40	30		FGEBRN
CC[C@@H](O/N=C(\C)c1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1	ZINC000014397977	523014436	/nfs/dbraw/zinc/01/44/36/523014436.db2.gz	FPHRZNMPIYWFCT-SVZNOHIVSA-N	0	0	358.398	3.099	40	30		FGEBRN
Cc1ccc(OCCOCCOc2ccc(C=Nc3nc[nH]n3)cc2)cc1	ZINC000006213441	525424228	/nfs/dbraw/zinc/42/42/28/525424228.db2.gz	BALUTYOEZKIYLF-KGENOOAVSA-N	0	0	366.421	3.338	40	30		FGEBRN
NC(=S)N/N=C1\[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@H]2c1ccccc1	ZINC000100644078	527110372	/nfs/dbraw/zinc/11/03/72/527110372.db2.gz	CRAJHTZPJNQQPO-KOASHTJWSA-N	0	0	357.523	3.311	40	30		FGEBRN
C(=N\c1ccc(N2CCOCC2)cc1)\c1ccccc1N1CCOCC1	ZINC000408931859	570699869	/nfs/dbraw/zinc/69/98/69/570699869.db2.gz	RDSQAVGIBZDCSP-XLNRJJMWSA-N	0	0	351.450	3.110	40	30		FGEBRN
Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1	ZINC000408965369	570704666	/nfs/dbraw/zinc/70/46/66/570704666.db2.gz	KUYUSCPRCZIPKT-FOWTUZBSSA-N	0	0	369.446	3.316	40	30		FGEBRN
O=C1CSC(=S)N1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000409209797	570740191	/nfs/dbraw/zinc/74/01/91/570740191.db2.gz	JBMCWGAIHMRKQR-QLKAYGNNSA-N	0	0	350.208	3.096	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(F)cc1	ZINC000409300883	570749184	/nfs/dbraw/zinc/74/91/84/570749184.db2.gz	YQVQPAIXBCLANU-UHFFFAOYSA-N	0	0	360.186	3.489	40	30		FGEBRN
Cc1cc(N2CCCCC2)ccc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409357046	570753415	/nfs/dbraw/zinc/75/34/15/570753415.db2.gz	IHHLLBLEWLDHRL-UHFFFAOYSA-N	0	0	362.433	3.283	40	30		FGEBRN
CCN1c2ccccc2/C(=N/NC(=S)Nc2ccc(C)cc2C)C1=O	ZINC000006179923	204239883	/nfs/dbraw/zinc/23/98/83/204239883.db2.gz	PWZOTURKVOYIJE-FXBPSFAMSA-N	0	0	352.463	3.361	40	30		FGEBRN
COc1ccccc1NC(=S)N/N=C1\c2ccccc2N(C(C)C)C1=O	ZINC000006299301	204243232	/nfs/dbraw/zinc/24/32/32/204243232.db2.gz	MUAYGWLYVITONL-HEHNFIMWSA-N	0	0	368.462	3.141	40	30		FGEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1	ZINC000007276535	204293585	/nfs/dbraw/zinc/29/35/85/204293585.db2.gz	NQCHVYOYPZBMCB-GDNBJRDFSA-N	0	0	355.375	3.495	40	30		FGEBRN
COc1cc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc(OC)c1O	ZINC000006842119	204275737	/nfs/dbraw/zinc/27/57/37/204275737.db2.gz	UOYMPNLJCIRAPF-GRSHGNNSSA-N	0	0	370.434	3.147	40	30		FGEBRN
Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1Br	ZINC000016677458	204640756	/nfs/dbraw/zinc/64/07/56/204640756.db2.gz	WBSFXZTVKOZXJL-QTHHDPJYSA-N	0	0	373.250	3.289	40	30		FGEBRN
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C#N)N2C=Cc4ccccc4[C@H]32)cc1C	ZINC000016033727	204629523	/nfs/dbraw/zinc/62/95/23/204629523.db2.gz	SBYZGZPMKFVJRF-DOIPELPJSA-N	0	0	369.424	3.342	40	30		FGEBRN
COc1cccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3nc(SC)nn32)c1	ZINC000022608367	204781472	/nfs/dbraw/zinc/78/14/72/204781472.db2.gz	MLTQMNRPCWJDGC-QFYYESIMSA-N	0	0	356.451	3.277	40	30		FGEBRN
CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC(C)C)cc1	ZINC000078547328	205625837	/nfs/dbraw/zinc/62/58/37/205625837.db2.gz	HOVBPYJLKUGFIZ-SFHVURJKSA-N	0	0	361.438	3.185	40	30		FGEBRN
CC1=CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)O1	ZINC000104301251	205998966	/nfs/dbraw/zinc/99/89/66/205998966.db2.gz	NBWZNCYAORGNBO-KPKJPENVSA-N	0	0	357.347	3.044	40	30		FGEBRN
Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1)CCCC3	ZINC000000805445	206134614	/nfs/dbraw/zinc/13/46/14/206134614.db2.gz	GUBJTMMVJLXSMN-VXLYETTFSA-N	0	0	368.418	3.436	40	30		FGEBRN
Cc1ccc([C@@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	ZINC000000836900	206136624	/nfs/dbraw/zinc/13/66/24/206136624.db2.gz	MDCFNRHICQYKAN-QGZVFWFLSA-N	0	0	353.340	3.500	40	30		FGEBRN
Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C	ZINC000004968061	206186261	/nfs/dbraw/zinc/18/62/61/206186261.db2.gz	IWBIXXVPFAVKEO-UHFFFAOYSA-N	0	0	362.484	3.069	40	30		FGEBRN
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1C#N	ZINC000012656778	206295636	/nfs/dbraw/zinc/29/56/36/206295636.db2.gz	WQGCFNGITAJFSI-WDYCEAGBSA-N	0	0	373.449	3.484	40	30		FGEBRN
N#CC1(C#N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000218437031	206371102	/nfs/dbraw/zinc/37/11/02/206371102.db2.gz	WJMHEDCEAQYCFT-HZPDHXFCSA-N	0	0	360.797	3.452	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(C(F)(F)F)n1	ZINC000225926012	132249745	/nfs/dbraw/zinc/24/97/45/132249745.db2.gz	INEZXSHVLREDNC-UHFFFAOYSA-N	0	0	359.421	3.204	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(OCc2ccccc2F)c(OC)c1	ZINC000033630054	263396592	/nfs/dbraw/zinc/39/65/92/263396592.db2.gz	RJQCZJQXKUGSLB-SRZZPIQSSA-N	0	0	361.442	3.231	40	30		FGEBRN
CCCC(NC)=C1C(=O)C[C@@H](C[C@@H](C)SCC)[C@H](C(=O)OCC)C1=O	ZINC000104423952	263446703	/nfs/dbraw/zinc/44/67/03/263446703.db2.gz	GDYKIPWWXDATPK-HUZASSJOSA-N	0	0	369.527	3.129	40	30		FGEBRN
C#CCOc1ccc(Br)cc1C[C@@H]1SC(=O)N(CC)C1=O	ZINC000006952386	493989670	/nfs/dbraw/zinc/98/96/70/493989670.db2.gz	WVNWMTRMYYRIRH-ZDUSSCGKSA-N	0	0	368.252	3.088	40	30		FGEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1[N+](=O)[O-]	ZINC000010000994	494139546	/nfs/dbraw/zinc/13/95/46/494139546.db2.gz	ATZBIYNGQXMCCP-QNPMFDGYSA-N	0	0	356.334	3.336	40	30		FGEBRN
C=CCn1c2ccccc2nc1N1CCC(C(=O)Nc2cccnc2)CC1	ZINC000012219403	494215258	/nfs/dbraw/zinc/21/52/58/494215258.db2.gz	PFKNOJIPCOJTME-UHFFFAOYSA-N	0	0	361.449	3.472	40	30		FGEBRN
C=CCNc1nnc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)s1	ZINC000054360593	494225551	/nfs/dbraw/zinc/22/55/51/494225551.db2.gz	ZWQUIACWBACSGT-XFXZXTDPSA-N	0	0	358.448	3.373	40	30		FGEBRN
N#Cc1ccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1	ZINC000013283473	494284275	/nfs/dbraw/zinc/28/42/75/494284275.db2.gz	NMRQISCKNUDADU-UHFFFAOYSA-N	0	0	351.797	3.412	40	30		FGEBRN
CCCCOC1(NS(=O)(=O)c2ccc(F)cc2)C(C)=CC(=O)C=C1C	ZINC000016779569	494401638	/nfs/dbraw/zinc/40/16/38/494401638.db2.gz	WISMFZVIDCAEQV-UHFFFAOYSA-N	0	0	367.442	3.092	40	30		FGEBRN
C=CCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000019946954	494464563	/nfs/dbraw/zinc/46/45/63/494464563.db2.gz	SZNBXCHTUSMBSP-UHFFFAOYSA-N	0	0	372.490	3.109	40	30		FGEBRN
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@@H]21	ZINC000020111589	494467655	/nfs/dbraw/zinc/46/76/55/494467655.db2.gz	MXGIYHZVIKLRKE-RCZSKKKRSA-N	0	0	355.478	3.420	40	30		FGEBRN
O=C1CC(c2ccccc2O)CC(=O)C1=C1OCCN1Cc1ccccc1	ZINC000020800822	494481820	/nfs/dbraw/zinc/48/18/20/494481820.db2.gz	KOIZSJVJTBFYSS-UHFFFAOYSA-N	0	0	363.413	3.152	40	30		FGEBRN
C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1	ZINC000205709590	496974019	/nfs/dbraw/zinc/97/40/19/496974019.db2.gz	JNHVGUBXSWPEBE-XNTDXEJSSA-N	0	0	361.419	3.239	40	30		FGEBRN
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	ZINC000216769164	496992026	/nfs/dbraw/zinc/99/20/26/496992026.db2.gz	AMCZWAIMLDSWMI-NRFANRHFSA-N	0	0	359.433	3.296	40	30		FGEBRN
O/N=C\c1ccc(OCc2cccnc2)c(I)c1	ZINC000216844426	496992360	/nfs/dbraw/zinc/99/23/60/496992360.db2.gz	JAVHSYQNDNJVBP-PXNMLYILSA-N	0	0	354.147	3.073	40	30		FGEBRN
O=C[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225643948	497069948	/nfs/dbraw/zinc/06/99/48/497069948.db2.gz	HMTZHBTZFZNPHU-OWCLPIDISA-N	0	0	365.248	3.204	40	30		FGEBRN
C=CCN1C[C@H](C(=O)N[C@@H]2[C@@H]3CCCC[C@H]3[C@H]2c2ccccc2)CC1=O	ZINC000257367463	497406252	/nfs/dbraw/zinc/40/62/52/497406252.db2.gz	ZPXCRBBIHGGEAR-ORPNCOOFSA-N	0	0	352.478	3.110	40	30		FGEBRN
N#Cc1cccc(C(=O)N2C[C@@H]3c4ncc(-c5ccncc5)n4CC[C@@H]3C2)c1	ZINC000306129533	498738679	/nfs/dbraw/zinc/73/86/79/498738679.db2.gz	IGJSKFBSWMVDMF-MOPGFXCFSA-N	0	0	369.428	3.076	40	30		FGEBRN
C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCCOC)ccc1OC	ZINC000408705766	499594051	/nfs/dbraw/zinc/59/40/51/499594051.db2.gz	NAEKVGBXZJDPCO-UHFFFAOYSA-N	0	0	368.433	3.052	40	30		FGEBRN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(OC)c(OC)c1	ZINC000408736686	499594551	/nfs/dbraw/zinc/59/45/51/499594551.db2.gz	FLPQFAPTUYTCNO-FNLSEGDXSA-N	0	0	366.417	3.388	40	30		FGEBRN
C/C(=N/O)c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	ZINC000102944603	518455539	/nfs/dbraw/zinc/45/55/39/518455539.db2.gz	AYYLWSKEMAFQBJ-UYRXBGFRSA-N	0	0	355.423	3.032	40	30		FGEBRN
COc1cc(/C=N/N2CCCCCC2)cc(I)c1O	ZINC000001631177	521986734	/nfs/dbraw/zinc/98/67/34/521986734.db2.gz	WLMNJVKGNSNJKW-MHWRWJLKSA-N	0	0	374.222	3.215	40	30		FGEBRN
Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1	ZINC000008636084	526277134	/nfs/dbraw/zinc/27/71/34/526277134.db2.gz	APCQHUZDCMJDFU-RTBURBONSA-N	0	0	363.465	3.325	40	30	biogenic,in-vitro	FGEBRN
O=C(ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)c1ccccc1	ZINC000001926397	570612095	/nfs/dbraw/zinc/61/20/95/570612095.db2.gz	HKALEOXGSKHDCC-UHFFFAOYSA-N	0	0	362.297	3.116	40	30		FGEBRN
C=CCOc1c(Cl)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OCC	ZINC000409046877	570715931	/nfs/dbraw/zinc/71/59/31/570715931.db2.gz	LERHOEYVIAFJPM-LCYFTJDESA-N	0	0	366.870	3.333	40	30		FGEBRN
O=C1CSC(=S)N1/N=C\c1ccc(OCCOc2ccccc2)cc1	ZINC000409338489	570751685	/nfs/dbraw/zinc/75/16/85/570751685.db2.gz	KWEYQTBJLHHFQG-UNOMPAQXSA-N	0	0	372.471	3.339	40	30		FGEBRN
C[C@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccnc1)O2	ZINC000004037180	204117710	/nfs/dbraw/zinc/11/77/10/204117710.db2.gz	HTIUHCFSDHKOSC-VKRLORBYSA-N	0	0	369.384	3.204	40	30		FGEBRN
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccc(F)cc1)O3	ZINC000004452359	204139474	/nfs/dbraw/zinc/13/94/74/204139474.db2.gz	ZAHTUSMPCRFEFD-OHQAAIJDSA-N	0	0	350.353	3.335	40	30		FGEBRN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)c(OC)c1	ZINC000005376332	204205798	/nfs/dbraw/zinc/20/57/98/204205798.db2.gz	PHXJGLVEJWXNSU-SXGWCWSVSA-N	0	0	356.403	3.301	40	30		FGEBRN
O=C1CS/C(=N\N=C\c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)N1	ZINC000005891133	204229845	/nfs/dbraw/zinc/22/98/45/204229845.db2.gz	VVCCUBVCJLLBPX-OMCISZLKSA-N	0	0	364.770	3.061	40	30		FGEBRN
CN(C)NC(=CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000005941584	204230491	/nfs/dbraw/zinc/23/04/91/204230491.db2.gz	AOPUDTOSBKIPBX-JMIUGGIZSA-N	0	0	373.253	3.106	40	30		FGEBRN
CC(=O)Nc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1	ZINC000006363435	204246053	/nfs/dbraw/zinc/24/60/53/204246053.db2.gz	OCKXUKWCTMLYNW-UHFFFAOYSA-N	0	0	358.195	3.480	40	30		FGEBRN
N#C[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218528975	206372160	/nfs/dbraw/zinc/37/21/60/206372160.db2.gz	QNYPUCCLMNBFOY-OWCLPIDISA-N	0	0	367.257	3.154	40	30		FGEBRN
N#C[C@@]1(N)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218534783	206372616	/nfs/dbraw/zinc/37/26/16/206372616.db2.gz	SNQFDMZDBLOTRL-HRCADAONSA-N	0	0	367.257	3.154	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218471690	206369951	/nfs/dbraw/zinc/36/99/51/206369951.db2.gz	HITWJLUVHAKRPZ-GBESFXJTSA-N	0	0	359.422	3.312	40	30		FGEBRN
C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)s1	ZINC000010389887	263365186	/nfs/dbraw/zinc/36/51/86/263365186.db2.gz	SMRXUTBYSIARLF-SNVBAGLBSA-N	0	0	351.453	3.231	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NC[C@@H]1CCCO1	ZINC000408799623	263496168	/nfs/dbraw/zinc/49/61/68/263496168.db2.gz	HDTCCEIQMYDRPW-SLCIXIPPSA-N	0	0	356.397	3.250	40	30		FGEBRN
C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O	ZINC000409229464	263543525	/nfs/dbraw/zinc/54/35/25/263543525.db2.gz	PJGJLEVYVKPGBP-MFVBVHDHSA-N	0	0	374.462	3.143	40	30		FGEBRN
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1	ZINC000409283854	263547021	/nfs/dbraw/zinc/54/70/21/263547021.db2.gz	SERLVXFOHGFOLZ-UHFFFAOYSA-N	0	0	372.222	3.309	40	30		FGEBRN
CCOc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OC	ZINC000409361154	263551457	/nfs/dbraw/zinc/55/14/57/263551457.db2.gz	QJDPARHVABEHRX-UHFFFAOYSA-N	0	0	373.796	3.045	40	30		FGEBRN
CN(C)c1ccc(/C=C2\CNC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000031817905	493962869	/nfs/dbraw/zinc/96/28/69/493962869.db2.gz	PQXIGFCAMSKVHL-IWGRKNQJSA-N	0	0	361.489	3.458	40	30		FGEBRN
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@H]21	ZINC000033348506	494058684	/nfs/dbraw/zinc/05/86/84/494058684.db2.gz	MXGIYHZVIKLRKE-SYYKKAFVSA-N	0	0	355.478	3.420	40	30		FGEBRN
N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccccn2)n1	ZINC000071834813	494104285	/nfs/dbraw/zinc/10/42/85/494104285.db2.gz	RRCQRDMVMZKZKC-UHFFFAOYSA-N	0	0	370.825	3.123	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1	ZINC000010362456	494151331	/nfs/dbraw/zinc/15/13/31/494151331.db2.gz	FLMGPQACPYCJOR-UHFFFAOYSA-N	0	0	360.435	3.184	40	30		FGEBRN
Cn1c2ccccc2nc1[C@@H](C#N)c1nc(Cl)ncc1Br	ZINC000013236954	494282748	/nfs/dbraw/zinc/28/27/48/494282748.db2.gz	WCDBCRJFWNTRSV-QMMMGPOBSA-N	0	0	362.618	3.435	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1	ZINC000014006292	494300191	/nfs/dbraw/zinc/30/01/91/494300191.db2.gz	FAKFCMOMMRZOQN-AWEZNQCLSA-N	0	0	354.406	3.017	40	30		FGEBRN
Oc1ccc(Br)cc1/C=N\N1CCN(Cc2ccccc2)CC1	ZINC000015938939	494372982	/nfs/dbraw/zinc/37/29/82/494372982.db2.gz	AOWZKTAGLHAXBR-MOSHPQCFSA-N	0	0	374.282	3.306	40	30		FGEBRN
N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1	ZINC000016523788	494392912	/nfs/dbraw/zinc/39/29/12/494392912.db2.gz	UUXPJKLUAYRPQV-GFCCVEGCSA-N	0	0	358.188	3.459	40	30		FGEBRN
CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000022608559	494528791	/nfs/dbraw/zinc/52/87/91/494528791.db2.gz	CCJVHVYHKBTEME-QFYYESIMSA-N	0	0	356.451	3.364	40	30		FGEBRN
CC(C)C1=CC(=C2NNC(=O)N2c2ccc3c(ccn3C)c2)C(=O)CC1=O	ZINC000109565954	494890906	/nfs/dbraw/zinc/89/09/06/494890906.db2.gz	MWTUOSWPJOUADP-XDJHFCHBSA-N	0	0	364.405	3.031	40	30	in-vitro	FGEBRN
Cc1ccc2[nH]c(CO[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]3F)nc2c1	ZINC000096112302	495001685	/nfs/dbraw/zinc/00/16/85/495001685.db2.gz	YCVJDXVQRGWYOS-XLIONFOSSA-N	0	0	364.424	3.482	40	30	biogenic,in-vitro	FGEBRN
CCCCCCCCCCN(CCOCCOCCO)C(=O)N(C)C	ZINC000100934494	495066977	/nfs/dbraw/zinc/06/69/77/495066977.db2.gz	LFXJRBQQLMUZQT-UHFFFAOYSA-N	0	0	360.539	3.136	40	30		FGEBRN
CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(N(C)C)cc3)N[C@H]2NN1	ZINC000254873708	497352639	/nfs/dbraw/zinc/35/26/39/497352639.db2.gz	NWKTUUJCENYCME-SXLOBPIMSA-N	0	0	352.482	3.004	40	30		FGEBRN
CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242495303	497354782	/nfs/dbraw/zinc/35/47/82/497354782.db2.gz	FZWCZLYJFXVTEJ-NLWGTHIKSA-N	0	0	369.442	3.008	40	30		FGEBRN
C/C=C\[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1C(=O)[C@H](CO)N(C)C1=O	ZINC000299888618	497928881	/nfs/dbraw/zinc/92/88/81/497928881.db2.gz	QNQBPPQLRODXET-TWHWOJBDSA-N	0	0	373.493	3.021	40	30		FGEBRN
CC(C)[C@H](CO)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccccn2)n1	ZINC000329061289	499030887	/nfs/dbraw/zinc/03/08/87/499030887.db2.gz	WQMYSSKJSPNUQO-IBGZPJMESA-N	0	0	374.448	3.005	40	30		FGEBRN
C=CCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC	ZINC000408705939	499594129	/nfs/dbraw/zinc/59/41/29/499594129.db2.gz	QRERGGMVNROTQQ-UHFFFAOYSA-N	0	0	350.462	3.382	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCCCC	ZINC000408709844	499594401	/nfs/dbraw/zinc/59/44/01/499594401.db2.gz	XYCRTIHBVIMPMR-UHFFFAOYSA-N	0	0	359.470	3.018	40	30		FGEBRN
CC(N=Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(F)cc1	ZINC000408724861	499594611	/nfs/dbraw/zinc/59/46/11/499594611.db2.gz	BUUMAYJCVUAPGR-ZVHZXABRSA-N	0	0	369.448	3.047	40	30		FGEBRN
C#CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OCC	ZINC000020196489	518321495	/nfs/dbraw/zinc/32/14/95/518321495.db2.gz	NGCZVJSKRKTAGJ-HZHRSRAPSA-N	0	0	368.433	3.238	40	30		FGEBRN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224822376	518820544	/nfs/dbraw/zinc/82/05/44/518820544.db2.gz	NBSMKHCWAHZPFW-UHFFFAOYSA-N	0	0	365.838	3.493	40	30		FGEBRN
C=CCNC(=S)N/N=C\c1cccc(OCCOc2ccc(C)cc2)c1	ZINC000038193670	518948085	/nfs/dbraw/zinc/94/80/85/518948085.db2.gz	CDVZPHHBAKHRFF-JCMHNJIXSA-N	0	0	369.490	3.437	40	30		FGEBRN
CC[C@@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O	ZINC000002035532	523692228	/nfs/dbraw/zinc/69/22/28/523692228.db2.gz	JWGFSVXRBPUQLO-FQEVSTJZSA-N	0	0	351.406	3.437	40	30		FGEBRN
COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)cc1	ZINC000408884111	570694741	/nfs/dbraw/zinc/69/47/41/570694741.db2.gz	XSGOWVFZGANPEK-GDNBJRDFSA-N	0	0	355.375	3.495	40	30		FGEBRN
COc1cc(OC)c([N+](=O)[O-])cc1C=NNc1ccc(C(F)(F)F)cn1	ZINC000409063831	570717989	/nfs/dbraw/zinc/71/79/89/570717989.db2.gz	ACTCMWWGQKYTRZ-IFRROFPPSA-N	0	0	370.287	3.472	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O	ZINC000409124348	570729374	/nfs/dbraw/zinc/72/93/74/570729374.db2.gz	BGBUMUDEFLEQAM-LFIBNONCSA-N	0	0	366.373	3.120	40	30		FGEBRN
Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)[nH]1	ZINC000409290015	570748790	/nfs/dbraw/zinc/74/87/90/570748790.db2.gz	JLOBVPCBJAGGEW-UHFFFAOYSA-N	0	0	359.227	3.295	40	30		FGEBRN
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(Br)cc1	ZINC000008300179	291064912	/nfs/dbraw/zinc/06/49/12/291064912.db2.gz	XLLIDDMPQSGISR-HEHGZKQESA-N	0	0	363.255	3.341	40	30	biogenic,in-vitro	FGEBRN
COc1ccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1	ZINC000004198930	204127688	/nfs/dbraw/zinc/12/76/88/204127688.db2.gz	ZPXPMXLZTDRJBW-SMOSDQRPSA-N	0	0	362.389	3.204	40	30		FGEBRN
COc1ccc([C@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2C3=O)cc1	ZINC000004775918	204162444	/nfs/dbraw/zinc/16/24/44/204162444.db2.gz	XFOPTVJYFVBADW-HMXCVIKNSA-N	0	0	368.385	3.428	40	30		FGEBRN
Cn1c2ccccc2nc1[C@H](C#N)c1nc(Cl)ncc1Br	ZINC000005337982	204203536	/nfs/dbraw/zinc/20/35/36/204203536.db2.gz	WCDBCRJFWNTRSV-MRVPVSSYSA-N	0	0	362.618	3.435	40	30		FGEBRN
CCOC(=O)C(=CNC([S-])=[NH+]c1cc(C)ccc1C)C(=O)OCC	ZINC000005499628	204212611	/nfs/dbraw/zinc/21/26/11/204212611.db2.gz	XOEBMJKTMLFNDP-UHFFFAOYSA-N	0	0	350.440	3.011	40	30		FGEBRN
N#Cc1c(N)oc2c1[C@@H](c1ccccc1)S(=O)(=O)[C@@H]2c1ccccc1	ZINC000005684778	204221145	/nfs/dbraw/zinc/22/11/45/204221145.db2.gz	UDCWPLCEVLZYIO-QZTJIDSGSA-N	0	0	350.399	3.341	40	30		FGEBRN
CC(=O)/C=C\C=C/c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	ZINC000005759779	204224506	/nfs/dbraw/zinc/22/45/06/204224506.db2.gz	RCKPFEXECYJLFV-BYGYKRNASA-N	0	0	368.385	3.130	40	30		FGEBRN
O=c1c(Cl)c(NN=Cc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	ZINC000005776063	204224512	/nfs/dbraw/zinc/22/45/12/204224512.db2.gz	YYMXPXMLQYTYLP-VXLYETTFSA-N	0	0	369.768	3.240	40	30		FGEBRN
N#Cc1cc2c(nc1[S@](=O)Cc1nc3ccccc3[nH]1)CCCCC2	ZINC000006402982	204247043	/nfs/dbraw/zinc/24/70/43/204247043.db2.gz	ZZPIXNGZMICURJ-VWLOTQADSA-N	0	0	350.447	3.406	40	30		FGEBRN
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C#N)cc1C	ZINC000009357335	204364419	/nfs/dbraw/zinc/36/44/19/204364419.db2.gz	SBYZGZPMKFVJRF-PLACYPQZSA-N	0	0	369.424	3.342	40	30		FGEBRN
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CO	ZINC000118917949	206104161	/nfs/dbraw/zinc/10/41/61/206104161.db2.gz	QREPSQOWKKIPJJ-HRIXKFROSA-N	0	0	360.494	3.057	40	30		FGEBRN
COc1ccc([C@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	ZINC000000836898	206135319	/nfs/dbraw/zinc/13/53/19/206135319.db2.gz	BMZDKWWOQOVMEE-KRWDZBQOSA-N	0	0	369.339	3.200	40	30		FGEBRN
C/C(=N\N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	ZINC000004712946	206181813	/nfs/dbraw/zinc/18/18/13/206181813.db2.gz	HREPGTQTOXFPLC-DORSJAEJSA-N	0	0	368.418	3.149	40	30		FGEBRN
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000004540800	206180001	/nfs/dbraw/zinc/18/00/01/206180001.db2.gz	SZWWBNLWNZJLQP-YJBOKZPZSA-N	0	0	367.401	3.345	40	30		FGEBRN
CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1	ZINC000021264721	206355500	/nfs/dbraw/zinc/35/55/00/206355500.db2.gz	FEMSBANOTCLYFI-UHFFFAOYSA-N	0	0	367.496	3.164	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218450067	206369982	/nfs/dbraw/zinc/36/99/82/206369982.db2.gz	STTNTPUHXVNITG-CEXWTWQISA-N	0	0	359.422	3.230	40	30		FGEBRN
C=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)CC1=O	ZINC000019015187	263373217	/nfs/dbraw/zinc/37/32/17/263373217.db2.gz	ZPXCRBBIHGGEAR-MGSPEMMDSA-N	0	0	352.478	3.110	40	30		FGEBRN
C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1O	ZINC000059104266	493902678	/nfs/dbraw/zinc/90/26/78/493902678.db2.gz	YMEOINJQMCOORS-AKIMYXQNSA-N	0	0	367.268	3.415	40	30		FGEBRN
COCc1cc(C)nc(SCC(=O)c2cccc([N+](=O)[O-])c2)c1C#N	ZINC000059639570	493907792	/nfs/dbraw/zinc/90/77/92/493907792.db2.gz	GXNVKAJJFGFAAJ-UHFFFAOYSA-N	0	0	357.391	3.291	40	30		FGEBRN
COc1ccc(/N=C2/S[C@@H](Cc3ccc4c(c3)OCO4)C(=O)N2C)cc1	ZINC000008091957	494067450	/nfs/dbraw/zinc/06/74/50/494067450.db2.gz	IAICOUMATAFZRQ-NRTINQSCSA-N	0	0	370.430	3.228	40	30		FGEBRN
N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OC2CCOCC2)cn1	ZINC000013643221	494291463	/nfs/dbraw/zinc/29/14/63/494291463.db2.gz	GELSSERXHLOALO-UHFFFAOYSA-N	0	0	373.800	3.203	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N2C(=O)[C@H](C)S/C2=N\c2ccccc2)cc1	ZINC000017820402	494416947	/nfs/dbraw/zinc/41/69/47/494416947.db2.gz	UHYNFNRDDARRTI-FKEVTRRJSA-N	0	0	360.460	3.335	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1	ZINC000107596846	495529489	/nfs/dbraw/zinc/52/94/89/495529489.db2.gz	QDARJHSHVNNRGT-SRZZPIQSSA-N	0	0	361.442	3.231	40	30		FGEBRN
CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1	ZINC000408708271	499594135	/nfs/dbraw/zinc/59/41/35/499594135.db2.gz	HYPQGYPZUKSIAR-UHFFFAOYSA-N	0	0	373.497	3.384	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1	ZINC000408707727	499594160	/nfs/dbraw/zinc/59/41/60/499594160.db2.gz	CZNWZNREJNTCRC-UHFFFAOYSA-N	0	0	368.433	3.294	40	30		FGEBRN
C(=CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1)Cc1ccccc1	ZINC000408733628	499594573	/nfs/dbraw/zinc/59/45/73/499594573.db2.gz	NADPAQRYPXXCDJ-AWPKRLTISA-N	0	0	363.469	3.183	40	30		FGEBRN
CNC(=S)N/N=C1/c2ccccc2N(Cc2cccc3ccccc32)C1=O	ZINC000408728325	499594665	/nfs/dbraw/zinc/59/46/65/499594665.db2.gz	JTXLXVQELRRCBN-NMWGTECJSA-N	0	0	374.469	3.185	40	30		FGEBRN
Cc1ccc(CN2CCC[C@@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)o1	ZINC000585294998	507587969	/nfs/dbraw/zinc/58/79/69/507587969.db2.gz	XSYCCLSETIJZRD-LJQANCHMSA-N	0	0	360.421	3.147	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224779633	518811056	/nfs/dbraw/zinc/81/10/56/518811056.db2.gz	ZSCWCXPDIXUNBV-UHFFFAOYSA-N	0	0	371.418	3.351	40	30		FGEBRN
C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225111181	518816728	/nfs/dbraw/zinc/81/67/28/518816728.db2.gz	WORGNXCSKHMVNK-UHFFFAOYSA-N	0	0	366.370	3.124	40	30		FGEBRN
C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cnn(CC)c1	ZINC000036631353	519224364	/nfs/dbraw/zinc/22/43/64/519224364.db2.gz	MPPDDJPQHWQJSK-UHFFFAOYSA-N	0	0	368.466	3.078	40	30		FGEBRN
CCCCCCCCOC(=O)[C@@H](N)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000104807826	520039581	/nfs/dbraw/zinc/03/95/81/520039581.db2.gz	RGJWKBJRRXFXCX-HNNXBMFYSA-N	0	0	352.431	3.377	40	30		FGEBRN
CCOC(=O)C(=O)/C=C/[C@H]1[C@H](C)CC=C[C@@H]1NC(=O)OCc1ccccc1	ZINC000006891627	520403597	/nfs/dbraw/zinc/40/35/97/520403597.db2.gz	DSVLISNTLNSKSI-SUQHKGPZSA-N	0	0	371.433	3.182	40	30		FGEBRN
C[C@@]12CCC(=O)[C@]1(C)CC(=O)C1=C2C(=O)C(=O)C2C(C)(C)[C@@H](O)CC[C@]12C	ZINC000263597492	525911217	/nfs/dbraw/zinc/91/12/17/525911217.db2.gz	GVIAMIGKWDQCSW-VIWXFRHCSA-N	0	0	372.461	3.213	40	30		FGEBRN
Cc1c(/C=N/NS(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	ZINC000408891689	570695684	/nfs/dbraw/zinc/69/56/84/570695684.db2.gz	BGZOXOHEHJVRIX-XDHOZWIPSA-N	0	0	374.853	3.147	40	30		FGEBRN
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1	ZINC000409316928	570749989	/nfs/dbraw/zinc/74/99/89/570749989.db2.gz	NSNBKIYXOPBQOU-UHFFFAOYSA-N	0	0	371.238	3.389	40	30		FGEBRN
CCOc1cc(C=NN2C(=O)CSC2=S)cc(Cl)c1OCC	ZINC000409332969	570750878	/nfs/dbraw/zinc/75/08/78/570750878.db2.gz	SUMQQMMLGIPUOF-APSNUPSMSA-N	0	0	358.872	3.332	40	30		FGEBRN
CCCc1ccc(C#N)c(S[C@H]2CC(=O)N(c3ccccc3)C2=O)n1	ZINC000197324957	571291910	/nfs/dbraw/zinc/29/19/10/571291910.db2.gz	HVJCMRUCIIXJTI-INIZCTEOSA-N	0	0	351.431	3.330	40	30		FGEBRN
COc1cccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC	ZINC000005179681	204195873	/nfs/dbraw/zinc/19/58/73/204195873.db2.gz	WXYSMXYJGTUADD-YVLHZVERSA-N	0	0	360.326	3.356	40	30		FGEBRN
NC(=S)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	ZINC000006576166	204254660	/nfs/dbraw/zinc/25/46/60/204254660.db2.gz	KQKQPRIUCLJKSG-CPOQMQJTSA-N	0	0	359.838	3.179	40	30		FGEBRN
N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)O2	ZINC000036559227	205015631	/nfs/dbraw/zinc/01/56/31/205015631.db2.gz	BDFTYLHZXJHGCS-CQSZACIVSA-N	0	0	366.808	3.302	40	30		FGEBRN
O=S(=O)(O[C@H]1CCC[C@@H]2CC[C@H]1O2)c1ccc(Br)cc1	ZINC000043761613	205105901	/nfs/dbraw/zinc/10/59/01/205105901.db2.gz	IZAVBPZBIXFOJK-BNOWGMLFSA-N	0	0	361.257	3.255	40	30		FGEBRN
COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c1	ZINC000000878205	206137897	/nfs/dbraw/zinc/13/78/97/206137897.db2.gz	WJSDKMXIIPAJLC-UHFFFAOYSA-N	0	0	355.419	3.088	40	30		FGEBRN
COc1ccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)cc1	ZINC000004375259	206175830	/nfs/dbraw/zinc/17/58/30/206175830.db2.gz	ZENMHPOTIGKQQQ-UHFFFAOYSA-N	0	0	374.400	3.421	40	30		FGEBRN
CCOc1cc(OCC)c(C(=O)C=C(O)C(=O)OC)cc1Br	ZINC000100027847	206222782	/nfs/dbraw/zinc/22/27/82/206222782.db2.gz	STAVHTFKSMAFDG-GHXNOFRVSA-N	0	0	373.199	3.044	40	30		FGEBRN
CCOc1ccc(NC(=S)N/N=C2\c3ccccc3N(CC)C2=O)cc1	ZINC000102977305	206231374	/nfs/dbraw/zinc/23/13/74/206231374.db2.gz	KHUKTGZEDWVEEL-HEHNFIMWSA-N	0	0	368.462	3.143	40	30		FGEBRN
COc1c2c(cc3c1[C@H](C/C(=N\[O-])c1ccccc1)[N@H+](C)CC3)OCO2	ZINC000020112935	206330001	/nfs/dbraw/zinc/33/00/01/206330001.db2.gz	FBWKJYJCSSZORR-WASCAKKMSA-N	0	0	354.406	3.222	40	30		FGEBRN
N#C[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218534624	206372077	/nfs/dbraw/zinc/37/20/77/206372077.db2.gz	SNQFDMZDBLOTRL-OWCLPIDISA-N	0	0	367.257	3.154	40	30		FGEBRN
N#C[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218534542	206372547	/nfs/dbraw/zinc/37/25/47/206372547.db2.gz	SNQFDMZDBLOTRL-PMPSAXMXSA-N	0	0	367.257	3.154	40	30		FGEBRN
O=C1N/C(=N\N=C\c2ccc(O)cc2)S[C@@H]1Cc1cccc(Cl)c1	ZINC000057527544	206384985	/nfs/dbraw/zinc/38/49/85/206384985.db2.gz	QOHKNBZNNUXRQM-GDXCHIGESA-N	0	0	359.838	3.210	40	30		FGEBRN
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218441394	206369832	/nfs/dbraw/zinc/36/98/32/206369832.db2.gz	GTCSQDMZECGCNI-CVEARBPZSA-N	0	0	360.797	3.452	40	30		FGEBRN
COc1cc2c(cc1/C=C1/SC(=Nc3ccc(F)cc3)NC1=O)OCO2	ZINC000408964936	263510567	/nfs/dbraw/zinc/51/05/67/263510567.db2.gz	IQVBKGGYPZYSOJ-FRKPEAEDSA-N	0	0	372.377	3.455	40	30		FGEBRN
CC(=O)O/N=C\c1c(Nc2cccc(Cl)c2)nc2c(C)cccn2c1=O	ZINC000027986148	493771073	/nfs/dbraw/zinc/77/10/73/493771073.db2.gz	XLGYCDUYNDVUDQ-JMIUGGIZSA-N	0	0	370.796	3.297	40	30		FGEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010002166	494139105	/nfs/dbraw/zinc/13/91/05/494139105.db2.gz	IHAAMTUJWINPPX-WTAXECHQSA-N	0	0	356.334	3.336	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1	ZINC000010368077	494151308	/nfs/dbraw/zinc/15/13/08/494151308.db2.gz	MDZBGEHJIDHDIK-UHFFFAOYSA-N	0	0	360.435	3.184	40	30		FGEBRN
CCCCOC1(NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC(=O)C=C1C	ZINC000016779561	494401353	/nfs/dbraw/zinc/40/13/53/494401353.db2.gz	BTSNYMBRRSRUMW-UHFFFAOYSA-N	0	0	358.394	3.313	40	30		FGEBRN
Cc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@H](C)CC1=O)N2	ZINC000022608123	494528497	/nfs/dbraw/zinc/52/84/97/494528497.db2.gz	BJCFJWMOTDPJDU-PWJLMRLQSA-N	0	0	373.800	3.416	40	30		FGEBRN
COc1cccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3nc(SC)nn32)c1	ZINC000022608359	494529025	/nfs/dbraw/zinc/52/90/25/494529025.db2.gz	MLTQMNRPCWJDGC-HWPZZCPQSA-N	0	0	356.451	3.277	40	30		FGEBRN
C=CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1	ZINC000222914955	497029652	/nfs/dbraw/zinc/02/96/52/497029652.db2.gz	MXZCNBSTRIACAC-INIZCTEOSA-N	0	0	354.425	3.088	40	30		FGEBRN
C[C@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)C1	ZINC000225858797	497077314	/nfs/dbraw/zinc/07/73/14/497077314.db2.gz	CMVZWFHUCHOFIS-AWEZNQCLSA-N	0	0	370.884	3.445	40	30		FGEBRN
N#C[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000252516438	497309593	/nfs/dbraw/zinc/30/95/93/497309593.db2.gz	SNQFDMZDBLOTRL-OAGGEKHMSA-N	0	0	367.257	3.154	40	30		FGEBRN
COC(=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@]34CCC(=O)C=C3CC[C@]21O[C@H]4OC	ZINC000254567559	497350054	/nfs/dbraw/zinc/35/00/54/497350054.db2.gz	RWKSXLXAGGNKPV-CWNVBEKCSA-N	0	0	374.477	3.413	40	30		FGEBRN
CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2c(C#N)c(Cl)c(F)cc2c1=O	ZINC000255190806	497362211	/nfs/dbraw/zinc/36/22/11/497362211.db2.gz	ZPJCSNZAOHLQMN-CMPLNLGQSA-N	0	0	352.724	3.125	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(C(F)(F)F)n1	ZINC000260721059	497406393	/nfs/dbraw/zinc/40/63/93/497406393.db2.gz	VYBHSCSUASXKLI-JTQLQIEISA-N	0	0	359.421	3.204	40	30		FGEBRN
C=CCn1c(CCCC)nnc1S[C@@H](C)C(=O)Nc1nccs1	ZINC000408560423	499592271	/nfs/dbraw/zinc/59/22/71/499592271.db2.gz	HUANYXYNHJTXLV-NSHDSACASA-N	0	0	351.501	3.383	40	30		FGEBRN
CCOC(=O)COc1ccc(C=NNc2nc3ccccc3n2CC)cc1	ZINC000408692020	499593778	/nfs/dbraw/zinc/59/37/78/499593778.db2.gz	BLIKSPNDKHHXQK-FYJGNVAPSA-N	0	0	366.421	3.444	40	30		FGEBRN
COc1cc(Br)cc(-c2c(C#N)c(N)nc3c2CCCC3)c1O	ZINC000408813757	499595135	/nfs/dbraw/zinc/59/51/35/499595135.db2.gz	DPDAGLBYRKSKKJ-UHFFFAOYSA-N	0	0	374.238	3.388	40	30		FGEBRN
N#Cc1ccccc1Cn1cc([C@H]2[NH2+]C[C@H](C(=O)[O-])S2)c2ccccc21	ZINC000408979508	499595539	/nfs/dbraw/zinc/59/55/39/499595539.db2.gz	RFLYFXKQCVNJQT-MOPGFXCFSA-N	0	0	363.442	3.349	40	30		FGEBRN
CCOc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccccc1	ZINC000409068554	499595754	/nfs/dbraw/zinc/59/57/54/499595754.db2.gz	TVUFIULEWMUNSM-LICLKQGHSA-N	0	0	355.799	3.315	40	30		FGEBRN
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000019088013	517349956	/nfs/dbraw/zinc/34/99/56/517349956.db2.gz	FRQHKTUZOLVJJE-GOSISDBHSA-N	0	0	350.374	3.288	40	30		FGEBRN
C#CCOc1cccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)c1	ZINC000036740673	518331957	/nfs/dbraw/zinc/33/19/57/518331957.db2.gz	YATWHSZWXGUHDO-FQEVSTJZSA-N	0	0	362.473	3.135	40	30		FGEBRN
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224895242	518802608	/nfs/dbraw/zinc/80/26/08/518802608.db2.gz	MFGLBVRZDHJUQI-UHFFFAOYSA-N	0	0	374.462	3.343	40	30		FGEBRN
C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224820457	518803689	/nfs/dbraw/zinc/80/36/89/518803689.db2.gz	KDVPVUASAMYFGS-UHFFFAOYSA-N	0	0	359.447	3.456	40	30		FGEBRN
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224769564	518815480	/nfs/dbraw/zinc/81/54/80/518815480.db2.gz	GFYKSCCDDDBRST-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225040070	519037940	/nfs/dbraw/zinc/03/79/40/519037940.db2.gz	OQGTZAGHEYVNRL-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000032131508	525569594	/nfs/dbraw/zinc/56/95/94/525569594.db2.gz	SXICYXMRGFUXOA-OKTMORDVSA-N	0	0	370.361	3.264	40	30		FGEBRN
CCC1N=NC(=S)N1N=Cc1ccc(OCc2ccccc2C#N)cc1	ZINC000408851547	570692512	/nfs/dbraw/zinc/69/25/12/570692512.db2.gz	CQHMGHQPQAKAIE-CIAFOILYSA-N	0	0	363.446	3.462	40	30		FGEBRN
C=CCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	ZINC000408973244	570705459	/nfs/dbraw/zinc/70/54/59/570705459.db2.gz	KSXWQQVTBRGFJC-OAQYLSRUSA-N	0	0	366.486	3.419	40	30		FGEBRN
COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c(C)c1	ZINC000409228976	570742344	/nfs/dbraw/zinc/74/23/44/570742344.db2.gz	HYMCVGARYSRJFP-HYARGMPZSA-N	0	0	368.433	3.377	40	30		FGEBRN
CCCc1ccc(C#N)c(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)n1	ZINC000197324942	571291913	/nfs/dbraw/zinc/29/19/13/571291913.db2.gz	HVJCMRUCIIXJTI-MRXNPFEDSA-N	0	0	351.431	3.330	40	30		FGEBRN
C=CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl	ZINC000020492156	203864465	/nfs/dbraw/zinc/86/44/65/203864465.db2.gz	GEUIWZDFSDPIMC-UHFFFAOYSA-N	0	0	350.827	3.057	40	30		FGEBRN
Cc1ccc(OCC(=O)/N=C2\N=C3N=CC=CN3Cc3ccccc32)cc1	ZINC000005574717	204215627	/nfs/dbraw/zinc/21/56/27/204215627.db2.gz	VOSZGZRMEGPAKN-ATJXCDBQSA-N	0	0	358.401	3.117	40	30		FGEBRN
CC1(C)[C@H]2CC[C@]1(C(=O)NC1CCCCCC1)c1nc(C#N)c(C#N)nc12	ZINC000005204488	204197434	/nfs/dbraw/zinc/19/74/34/204197434.db2.gz	WFBKWPMTSJTYDR-LHSJRXKWSA-N	0	0	363.465	3.214	40	30		FGEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)c(O)c1	ZINC000005668001	204219729	/nfs/dbraw/zinc/21/97/29/204219729.db2.gz	DVPSKNHUGPBPPJ-LPYMAVHISA-N	0	0	357.369	3.357	40	30		FGEBRN
CCCCS(=O)(=O)OCC(CC)(CC)COS(=O)(=O)CCCC	ZINC000100318983	205943174	/nfs/dbraw/zinc/94/31/74/205943174.db2.gz	QOURGJDTNCZVHX-UHFFFAOYSA-N	0	0	372.549	3.086	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1	ZINC000225818066	206120234	/nfs/dbraw/zinc/12/02/34/206120234.db2.gz	FJMFEHSREGVRDA-UHFFFAOYSA-N	0	0	364.445	3.289	40	30		FGEBRN
CCCN(CCC)c1ccc(C(C#N)=c2ccc(=C(C#N)C#N)cc2)cc1	ZINC000000779673	206133259	/nfs/dbraw/zinc/13/32/59/206133259.db2.gz	WQYYVBCKQFSYHL-UHFFFAOYSA-N	0	0	354.457	3.233	40	30		FGEBRN
C=CCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1	ZINC000001365699	206149185	/nfs/dbraw/zinc/14/91/85/206149185.db2.gz	YDJZBKIROJJECV-OAHLLOKOSA-N	0	0	369.387	3.149	40	30		FGEBRN
NC(=S)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000005236896	206192293	/nfs/dbraw/zinc/19/22/93/206192293.db2.gz	DLDNIRQZQCQAGZ-GIJQJNRQSA-N	0	0	364.268	3.195	40	30		FGEBRN
Cc1ccc2nc(NC3=NCN([C@@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1	ZINC000019332616	206327327	/nfs/dbraw/zinc/32/73/27/206327327.db2.gz	AKQQYSYKXAIBQH-KBXCAEBGSA-N	0	0	352.486	3.223	40	30		FGEBRN
C=CCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000019947473	206327939	/nfs/dbraw/zinc/32/79/39/206327939.db2.gz	JLGIHKGJYQBJKC-UHFFFAOYSA-N	0	0	372.490	3.109	40	30		FGEBRN
N#C[C@@]1(C=O)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218636511	206372193	/nfs/dbraw/zinc/37/21/93/206372193.db2.gz	BBVPMVVRZBBECS-YESZJQIVSA-N	0	0	363.797	3.128	40	30		FGEBRN
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	ZINC000216774572	263457886	/nfs/dbraw/zinc/45/78/86/263457886.db2.gz	IUZDIXZEONDXCM-OAQYLSRUSA-N	0	0	359.433	3.038	40	30		FGEBRN
CC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C	ZINC000409112010	263527894	/nfs/dbraw/zinc/52/78/94/263527894.db2.gz	BHEXJQGOUNHSIW-UHFFFAOYSA-N	0	0	360.464	3.268	40	30		FGEBRN
COc1cc(/C=N/OCC(=O)N(C)c2ccccc2)ccc1OC(F)F	ZINC000028775193	493800707	/nfs/dbraw/zinc/80/07/07/493800707.db2.gz	YYVZJHQEFHCAKS-SRZZPIQSSA-N	0	0	364.348	3.310	40	30		FGEBRN
O=C1/C(=C\c2ccccc2O)SC(=S)N1/N=C/c1ccccc1O	ZINC000002798708	493820007	/nfs/dbraw/zinc/82/00/07/493820007.db2.gz	NLNCJEQLEVFVPZ-HJSNDYAYSA-N	0	0	356.428	3.333	40	30		FGEBRN
O=C1CS/C(=N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)N1	ZINC000059105561	493902201	/nfs/dbraw/zinc/90/22/01/493902201.db2.gz	GCEGTSVZBIYQRQ-DJKKODMXSA-N	0	0	359.838	3.472	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C	ZINC000033735171	494063344	/nfs/dbraw/zinc/06/33/44/494063344.db2.gz	IFVHQZZMGUPUAW-WSDLNYQXSA-N	0	0	351.479	3.460	40	30		FGEBRN
NC(=O)CCn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21	ZINC000008811542	494106592	/nfs/dbraw/zinc/10/65/92/494106592.db2.gz	AYZFIPSCRFMKFB-FSJBWODESA-N	0	0	354.841	3.294	40	30		FGEBRN
CC[C@@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O	ZINC000016754885	494400280	/nfs/dbraw/zinc/40/02/80/494400280.db2.gz	NHQFTRXRQNYBRY-VVLLMFOMSA-N	0	0	366.489	3.351	40	30		FGEBRN
COc1cccc(C(=CC(O)(C(F)(F)F)C(F)(F)F)NN(C)C)c1	ZINC000016958528	494403362	/nfs/dbraw/zinc/40/33/62/494403362.db2.gz	IDIWYAFOWKHUEL-SRZZPIQSSA-N	0	0	358.282	3.207	40	30		FGEBRN
Cc1c(/C=N\NS(=O)(=O)c2ccccc2)nccc1-c1ccccc1	ZINC000017061932	494406567	/nfs/dbraw/zinc/40/65/67/494406567.db2.gz	FYKIGNVDAGMYTO-STZFKDTASA-N	0	0	351.431	3.369	40	30		FGEBRN
C=CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC	ZINC000020196409	494468297	/nfs/dbraw/zinc/46/82/97/494468297.db2.gz	BVKKZNVAWBZIKA-HYARGMPZSA-N	0	0	356.422	3.401	40	30		FGEBRN
C=CC(=O)O[C@H](C1=CC(=O)c2c(O)ccc(O)c2C1=O)C(C)(C)C=C(C)C	ZINC000095868146	494990626	/nfs/dbraw/zinc/99/06/26/494990626.db2.gz	PKTWFAFZWVRLPK-HXUWFJFHSA-N	0	0	370.401	3.493	40	30		FGEBRN
N#CC1(C(=O)N2Cc3cc(-c4ccncc4)ccc3[C@H]2c2cnco2)CC1	ZINC000096087081	495001090	/nfs/dbraw/zinc/00/10/90/495001090.db2.gz	BLDLMDQVVDSTNH-IBGZPJMESA-N	0	0	356.385	3.472	40	30		FGEBRN
N#Cc1ccc(N2C[C@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)cc1	ZINC000096238830	495009019	/nfs/dbraw/zinc/00/90/19/495009019.db2.gz	VUGJOIDTXZTGBD-OAQYLSRUSA-N	0	0	366.465	3.029	40	30		FGEBRN
C/N=C1\S/C(=C/c2ccc(OC)c(O)c2)C(=O)N1/N=C\c1ccccc1	ZINC000101646834	495088395	/nfs/dbraw/zinc/08/83/95/495088395.db2.gz	BXUBIOMNCFZDCI-IVKXUYKNSA-N	0	0	367.430	3.337	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	ZINC000218365068	497001947	/nfs/dbraw/zinc/00/19/47/497001947.db2.gz	DVSCMVJEOFTSTM-KSZLIROESA-N	0	0	361.850	3.090	40	30		FGEBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)COC)cc1	ZINC000218408762	497002143	/nfs/dbraw/zinc/00/21/43/497002143.db2.gz	WVGMOKCEXWYOMF-HSALFYBXSA-N	0	0	355.459	3.345	40	30		FGEBRN
COc1cc(CNC(=S)Nc2ccc(CC#N)cc2)cc(OC)c1OC	ZINC000225573019	497067326	/nfs/dbraw/zinc/06/73/26/497067326.db2.gz	SOEQLEALTHIDJV-UHFFFAOYSA-N	0	0	371.462	3.265	40	30		FGEBRN
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1	ZINC000225661181	497070750	/nfs/dbraw/zinc/07/07/50/497070750.db2.gz	CLMHGDADCKOMCX-UFYCRDLUSA-N	0	0	353.443	3.206	40	30		FGEBRN
CC1CCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)CC1	ZINC000225858378	497077284	/nfs/dbraw/zinc/07/72/84/497077284.db2.gz	XTYOZBUSLJASET-UHFFFAOYSA-N	0	0	370.884	3.445	40	30		FGEBRN
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cccc(O)c1	ZINC000261364307	497407254	/nfs/dbraw/zinc/40/72/54/497407254.db2.gz	KOVWCXJCGQSPIN-KRWDZBQOSA-O	0	0	365.438	3.093	40	30		FGEBRN
Cc1cccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCC4)C2=O)c1	ZINC000261526744	497414756	/nfs/dbraw/zinc/41/47/56/497414756.db2.gz	IOOJCYWXRZISTP-KRWDZBQOSA-N	0	0	363.442	3.175	40	30		FGEBRN
N#Cc1cccc(C(=O)N2CC3(C2)C[C@H](OCC2CCCC2)CCO3)c1	ZINC000575403645	505972416	/nfs/dbraw/zinc/97/24/16/505972416.db2.gz	JIUHUXUGSWQAMP-LJQANCHMSA-N	0	0	354.450	3.139	40	30		FGEBRN
C=CCOc1ccc(Br)cc1/C=N/n1cnnc1SC	ZINC000408809668	499595224	/nfs/dbraw/zinc/59/52/24/499595224.db2.gz	HKAVFBOHYJEIOA-LZYBPNLTSA-N	0	0	353.245	3.210	40	30		FGEBRN
CN1C(=O)/C(=C/c2ccoc2)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408928790	499595547	/nfs/dbraw/zinc/59/55/47/499595547.db2.gz	JLBRLFLSIIWHRA-QLJNEMMGSA-N	0	0	369.446	3.350	40	30		FGEBRN
N#Cc1ccc(Nc2cnc([C@@H]3CCCCN3Cc3ccccn3)cn2)cn1	ZINC000585294414	507588174	/nfs/dbraw/zinc/58/81/74/507588174.db2.gz	QVLORRXBVRBRTC-FQEVSTJZSA-N	0	0	371.448	3.031	40	30		FGEBRN
Cn1cnc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1	ZINC000585295418	507588364	/nfs/dbraw/zinc/58/83/64/507588364.db2.gz	YVOHALSSWXTOTD-IBGZPJMESA-N	0	0	359.437	3.162	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224753775	518812943	/nfs/dbraw/zinc/81/29/43/518812943.db2.gz	NJRZSBPUYLMRKP-UHFFFAOYSA-N	0	0	354.334	3.254	40	30		FGEBRN
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224745119	518813906	/nfs/dbraw/zinc/81/39/06/518813906.db2.gz	VJSQSGJOPXVMJU-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
CCn1ncc(CN=Nc2nc(-c3ccco3)cc(C(F)F)n2)c1F	ZINC000225391053	523689586	/nfs/dbraw/zinc/68/95/86/523689586.db2.gz	SIVMBGHYAJUDOZ-FBCYGCLPSA-N	0	0	350.304	3.476	40	30		FGEBRN
COc1ccc([C@H](C#N)NCCCN[C@H](C#N)c2ccc(OC)cc2)cc1	ZINC000017354487	525286144	/nfs/dbraw/zinc/28/61/44/525286144.db2.gz	FKRDCLMTLCIITA-OYRHEFFESA-N	0	0	364.449	3.103	40	30		FGEBRN
C=CCNC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4	ZINC000409001938	570711068	/nfs/dbraw/zinc/71/10/68/570711068.db2.gz	YCSYHEIUJOFYFB-UHFFFAOYSA-N	0	0	352.419	3.027	40	30		FGEBRN
C#CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1	ZINC000409123394	570728548	/nfs/dbraw/zinc/72/85/48/570728548.db2.gz	GCQIYLMTMPSUOE-LGMDPLHJSA-N	0	0	362.410	3.099	40	30		FGEBRN
C=CCN(c1ccc(C(=O)Nc2cccc(OCC)c2)cc1)S(C)(=O)=O	ZINC000010294733	203851540	/nfs/dbraw/zinc/85/15/40/203851540.db2.gz	HLRFONARYFCWNM-UHFFFAOYSA-N	0	0	374.462	3.290	40	30		FGEBRN
COc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2c1	ZINC000001354690	204000663	/nfs/dbraw/zinc/00/06/63/204000663.db2.gz	FPSMQBZVCKQZQQ-ZDUSSCGKSA-N	0	0	355.463	3.466	40	30		FGEBRN
CC(=O)Oc1cc(OC(C)=O)cc(C(C)=NNc2ccc([N+](=O)[O-])cc2)c1	ZINC000005480192	204210381	/nfs/dbraw/zinc/21/03/81/204210381.db2.gz	COCWJBWQEODFFI-YBFXNURJSA-N	0	0	371.349	3.282	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1	ZINC000222477085	205420592	/nfs/dbraw/zinc/42/05/92/205420592.db2.gz	NLXDFVSYCDUJRU-UHFFFAOYSA-N	0	0	374.462	3.208	40	30		FGEBRN
COc1ccc(C=NNC2=NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1	ZINC000000821594	206133993	/nfs/dbraw/zinc/13/39/93/206133993.db2.gz	WMZISVPXHMWRGW-LPYMAVHISA-N	0	0	367.449	3.417	40	30		FGEBRN
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2cccs2)cc1	ZINC000000808056	206134629	/nfs/dbraw/zinc/13/46/29/206134629.db2.gz	WFDVLWCYVHMLQD-INIZCTEOSA-N	0	0	371.414	3.414	40	30		FGEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1	ZINC000001354461	206148003	/nfs/dbraw/zinc/14/80/03/206148003.db2.gz	PTIUOOGAIXCAHX-OAHLLOKOSA-N	0	0	355.463	3.111	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1	ZINC000004944595	206185651	/nfs/dbraw/zinc/18/56/51/206185651.db2.gz	VOHUHDNDSZMCSN-GFCCVEGCSA-N	0	0	361.854	3.186	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(Cl)cc1	ZINC000004944594	206185838	/nfs/dbraw/zinc/18/58/38/206185838.db2.gz	VOHUHDNDSZMCSN-LBPRGKRZSA-N	0	0	361.854	3.186	40	30		FGEBRN
COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000004540490	206178576	/nfs/dbraw/zinc/17/85/76/206178576.db2.gz	GHWWIXNQJQPFBO-AWEZNQCLSA-N	0	0	358.221	3.314	40	30		FGEBRN
C/N=C1/S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N1C	ZINC000101636103	206228191	/nfs/dbraw/zinc/22/81/91/206228191.db2.gz	WPRISGCGDUSQGE-KJCDSFJNSA-N	0	0	361.648	3.340	40	30		FGEBRN
O[C@@]1(Cn2cncn2)c2ccccc2CC[C@]12O[C@@H]2c1ccc(Cl)cc1	ZINC000013786891	206305946	/nfs/dbraw/zinc/30/59/46/206305946.db2.gz	AMIQPHHTWZOBRV-HSALFYBXSA-N	0	0	367.836	3.276	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218093408	206367370	/nfs/dbraw/zinc/36/73/70/206367370.db2.gz	OSDRMGRTSKWCQG-AABGKKOBSA-N	0	0	371.458	3.181	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218045571	206367996	/nfs/dbraw/zinc/36/79/96/206367996.db2.gz	RTRAGWLEUVIDQT-SLFFLAALSA-N	0	0	355.459	3.481	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218391402	206369680	/nfs/dbraw/zinc/36/96/80/206369680.db2.gz	BKQLFPNIVKCSPT-FGTMMUONSA-N	0	0	361.850	3.436	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218470055	206370709	/nfs/dbraw/zinc/37/07/09/206370709.db2.gz	XZIFXFOCGAOULE-FHWLQOOXSA-N	0	0	359.422	3.312	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218455070	206370937	/nfs/dbraw/zinc/37/09/37/206370937.db2.gz	ICBYPOBNMXLKFT-GBESFXJTSA-N	0	0	359.422	3.230	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1	ZINC000225926058	132250133	/nfs/dbraw/zinc/25/01/33/132250133.db2.gz	GNWVVYUHVLFGAU-JTQLQIEISA-N	0	0	359.421	3.347	40	30		FGEBRN
Cc1ccc(S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C)cc1	ZINC000022052593	263384844	/nfs/dbraw/zinc/38/48/44/263384844.db2.gz	RAOOQXZPVIXTHJ-UHFFFAOYSA-N	0	0	357.472	3.395	40	30	in-vitro	FGEBRN
CNC(=S)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1	ZINC000035178955	494073225	/nfs/dbraw/zinc/07/32/25/494073225.db2.gz	UGBIDMIFIUOYPB-UKWGHVSLSA-N	0	0	351.834	3.486	40	30		FGEBRN
N#Cc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4F)C[C@H]3F)nc2c1	ZINC000096112283	495002315	/nfs/dbraw/zinc/00/23/15/495002315.db2.gz	OZXYISQUWXQOBQ-APWZRJJASA-N	0	0	368.387	3.313	40	30	biogenic,in-vitro	FGEBRN
NC(=S)N/N=C1\[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@@H]2c1ccccc1	ZINC000100644076	495065619	/nfs/dbraw/zinc/06/56/19/495065619.db2.gz	CRAJHTZPJNQQPO-IKEDPNGRSA-N	0	0	357.523	3.311	40	30		FGEBRN
CCCCCCCCCCCCN1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21	ZINC000100839264	495066357	/nfs/dbraw/zinc/06/63/57/495066357.db2.gz	IQAUHVSHMRQVHY-JKSUJKDBSA-N	0	0	360.589	3.263	40	30		FGEBRN
Cc1nnc(/N=C2/S/C(=C\C3=Cc4ccccc4OC3)C(=O)N2C)s1	ZINC000102755276	495159430	/nfs/dbraw/zinc/15/94/30/495159430.db2.gz	MTPDAMCQJSJOBS-RRKLAFECSA-N	0	0	370.459	3.399	40	30		FGEBRN
C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1	ZINC000222764396	497027517	/nfs/dbraw/zinc/02/75/17/497027517.db2.gz	UDFLFHQWEOPYGA-SFHVURJKSA-N	0	0	350.462	3.339	40	30		FGEBRN
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225012509	497055267	/nfs/dbraw/zinc/05/52/67/497055267.db2.gz	NIGHDSYPAAGAIC-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000224999691	497055463	/nfs/dbraw/zinc/05/54/63/497055463.db2.gz	GMVPZBQSKGHUMH-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1	ZINC000225661211	497070816	/nfs/dbraw/zinc/07/08/16/497070816.db2.gz	CLMHGDADCKOMCX-AABGKKOBSA-N	0	0	353.443	3.206	40	30		FGEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@@H](C)C2)cc1	ZINC000225858669	497077340	/nfs/dbraw/zinc/07/73/40/497077340.db2.gz	CYOKJTCTDJLMFF-MRXNPFEDSA-N	0	0	350.466	3.100	40	30		FGEBRN
Cc1ccc(S(=O)(=O)OCC2(CSc3cnn(C)c3)CCC2)cc1	ZINC000256055236	497382301	/nfs/dbraw/zinc/38/23/01/497382301.db2.gz	ZVSXYKWXDOLRSI-UHFFFAOYSA-N	0	0	366.508	3.396	40	30		FGEBRN
C=CCOc1ccccc1[C@@H]1C[C@](C)(NC(C)=O)[C@@H]2CC=C(C)[C@@H](O)[C@@H]2O1	ZINC000257288737	497399203	/nfs/dbraw/zinc/39/92/03/497399203.db2.gz	PVKWSLABPVVXKJ-BLCKVISQSA-N	0	0	371.477	3.303	40	30		FGEBRN
CC1=NN(C(=O)COc2ccccc2C#N)[C@](O)(c2ccc(Cl)cc2)C1	ZINC000408563594	499592069	/nfs/dbraw/zinc/59/20/69/499592069.db2.gz	PFVHVIHUDXZPQU-LJQANCHMSA-N	0	0	369.808	3.044	40	30		FGEBRN
Cc1sc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(C#N)c1C	ZINC000408626339	499593392	/nfs/dbraw/zinc/59/33/92/499593392.db2.gz	GOUOOJTWJKBOGC-UHFFFAOYSA-N	0	0	373.459	3.135	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C1=O	ZINC000408917364	499595197	/nfs/dbraw/zinc/59/51/97/499595197.db2.gz	SAHNSOXQEMALLK-UKTHLTGXSA-N	0	0	351.811	3.417	40	30		FGEBRN
C=CCSC1=NN2[C@H](c3ccc(C)o3)Nc3ccccc3[C@H]2C(=O)N1	ZINC000588229269	506243690	/nfs/dbraw/zinc/24/36/90/506243690.db2.gz	QZJINFLDYOCMSE-JKSUJKDBSA-N	0	0	354.435	3.375	40	30		FGEBRN
C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2	ZINC000585106842	507572788	/nfs/dbraw/zinc/57/27/88/507572788.db2.gz	JMADNOGYYNLJBV-OAQYLSRUSA-N	0	0	360.417	3.213	40	30		FGEBRN
Cn1ccnc1CN1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1	ZINC000585294472	507587644	/nfs/dbraw/zinc/58/76/44/507587644.db2.gz	GDDDIFUEBQYSTI-GOSISDBHSA-N	0	0	359.437	3.162	40	30		FGEBRN
C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224820029	518802764	/nfs/dbraw/zinc/80/27/64/518802764.db2.gz	GTXICYSADWGSTE-UHFFFAOYSA-N	0	0	359.447	3.456	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225108161	518809973	/nfs/dbraw/zinc/80/99/73/518809973.db2.gz	SCMAZSWSLCAREL-UHFFFAOYSA-N	0	0	360.410	3.282	40	30		FGEBRN
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224803450	518811909	/nfs/dbraw/zinc/81/19/09/518811909.db2.gz	IZBONPGKVZMZOW-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
CCOC(=O)c1c(C)c2c(n1C)CCC(=CNCCc1ccccc1)C2=O	ZINC000104154034	521392213	/nfs/dbraw/zinc/39/22/13/521392213.db2.gz	XLJAIEAPOWGRFJ-VKAVYKQESA-N	0	0	366.461	3.355	40	30		FGEBRN
CCOc1ccccc1/C=N/NC(=S)N/N=C\c1ccccc1OCC	ZINC000104372759	521447395	/nfs/dbraw/zinc/44/73/95/521447395.db2.gz	QNJARJUWDWNJMF-IWXNDQKYSA-N	0	0	370.478	3.316	40	30		FGEBRN
C[C@@]12CC(=O)C3=C(C(=O)C(=O)C4C(C)(C)[C@@H](O)CC[C@]34C)[C@@]1(C)CCC2=O	ZINC000263597491	525910576	/nfs/dbraw/zinc/91/05/76/525910576.db2.gz	GVIAMIGKWDQCSW-TYVQGBEVSA-N	0	0	372.461	3.213	40	30		FGEBRN
C[C@@]12CCC(=O)[C@@]1(C)CC(=O)C1=C2C(=O)C(=O)C2C(C)(C)[C@@H](O)CC[C@]12C	ZINC000263597493	525911236	/nfs/dbraw/zinc/91/12/36/525911236.db2.gz	GVIAMIGKWDQCSW-WJIJELJDSA-N	0	0	372.461	3.213	40	30		FGEBRN
COc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccccc2)cc1Cl	ZINC000169886973	570623060	/nfs/dbraw/zinc/62/30/60/570623060.db2.gz	VJFQRCSRVPSJRR-RQZCQDPDSA-N	0	0	359.234	3.314	40	30		FGEBRN
O=S(=O)(N/N=C\c1ccc(N2CCCC2)o1)c1ccc2ccccc2c1	ZINC000408853266	570692153	/nfs/dbraw/zinc/69/21/53/570692153.db2.gz	MSWHPQMSRJGMKJ-ZHZULCJRSA-N	0	0	369.446	3.345	40	30		FGEBRN
C=CCOc1ccc(C=NN2C(=S)N=NC2CC)cc1Br	ZINC000408866500	570693923	/nfs/dbraw/zinc/69/39/23/570693923.db2.gz	GCTRARPJBPFOCW-CXUHLZMHSA-N	0	0	367.272	3.339	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Cl)C1=O	ZINC000409048635	570716336	/nfs/dbraw/zinc/71/63/36/570716336.db2.gz	TYFVKRQVARDGGH-RIYZIHGNSA-N	0	0	351.811	3.417	40	30		FGEBRN
C=CCc1cc(CO)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409109469	570725249	/nfs/dbraw/zinc/72/52/49/570725249.db2.gz	FONAKECGJSYNNZ-UHFFFAOYSA-N	0	0	362.447	3.382	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)N1CCOCC1	ZINC000409243245	570746308	/nfs/dbraw/zinc/74/63/08/570746308.db2.gz	RBGLFWZZPCENLB-BKUYFWCQSA-N	0	0	358.825	3.328	40	30		FGEBRN
CC(C)Oc1ccc(C=NN2C(=O)CSC2=S)cc1Br	ZINC000409346576	570752214	/nfs/dbraw/zinc/75/22/14/570752214.db2.gz	NFBJZNROYZVLBH-GIDUJCDVSA-N	0	0	373.297	3.431	40	30		FGEBRN
CC[C@@H](C)Oc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cccc1OC	ZINC000409355011	570752972	/nfs/dbraw/zinc/75/29/72/570752972.db2.gz	BEPOLWSYZGNDOS-CYBMUJFWSA-N	0	0	367.405	3.170	40	30		FGEBRN
COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000208855760	570861835	/nfs/dbraw/zinc/86/18/35/570861835.db2.gz	ZKGULMXHHLWYAZ-CXUHLZMHSA-N	0	0	368.345	3.499	40	30		FGEBRN
Cc1cc(C)n(CC(=O)Nc2c(Cl)cccc2Cl)c(=O)c1C#N	ZINC000409411512	571319572	/nfs/dbraw/zinc/31/95/72/571319572.db2.gz	IFGVIDYXAXURJB-UHFFFAOYSA-N	0	0	350.205	3.282	40	30		FGEBRN
CCOC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=O	ZINC000001585090	204013760	/nfs/dbraw/zinc/01/37/60/204013760.db2.gz	MDJRGGCMPPEHFG-UHFFFAOYSA-N	0	0	359.385	3.012	40	30		FGEBRN
CCn1c2ccccc2nc1N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000035291827	204229941	/nfs/dbraw/zinc/22/99/41/204229941.db2.gz	HPWVRHUPZPEZKV-UHFFFAOYSA-N	0	0	374.448	3.282	40	30		FGEBRN
CCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(OC)ccc1O	ZINC000055146003	205208924	/nfs/dbraw/zinc/20/89/24/205208924.db2.gz	IINAMAIKQGIHIP-HTXNQAPBSA-N	0	0	362.451	3.274	40	30		FGEBRN
COc1c2c(cc3c1[C@@H](C/C(=N\[O-])c1ccccc1)[N@H+](C)CC3)OCO2	ZINC000043737521	206061486	/nfs/dbraw/zinc/06/14/86/206061486.db2.gz	FBWKJYJCSSZORR-GXPOEHQZSA-N	0	0	354.406	3.222	40	30		FGEBRN
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S	ZINC000118917710	206104106	/nfs/dbraw/zinc/10/41/06/206104106.db2.gz	MOQTVGQHEGMMDS-SHKBYVEVSA-N	0	0	361.555	3.499	40	30		FGEBRN
COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1Cl	ZINC000004540488	206178660	/nfs/dbraw/zinc/17/86/60/206178660.db2.gz	GHWWIXNQJQPFBO-CQSZACIVSA-N	0	0	358.221	3.314	40	30		FGEBRN
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1C#N	ZINC000005787182	206197147	/nfs/dbraw/zinc/19/71/47/206197147.db2.gz	WQGCFNGITAJFSI-KVSKMBFKSA-N	0	0	373.449	3.484	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218372633	206370658	/nfs/dbraw/zinc/37/06/58/206370658.db2.gz	QLWPPTGRGHFDHC-AABGKKOBSA-N	0	0	355.459	3.481	40	30		FGEBRN
COc1ccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)cc1	ZINC000225843088	206502293	/nfs/dbraw/zinc/50/22/93/206502293.db2.gz	ZIGZSFGICGJBIB-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
Cc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1Cl	ZINC000070462119	132302708	/nfs/dbraw/zinc/30/27/08/132302708.db2.gz	PJSDTHQJGWNJRA-UHFFFAOYSA-N	0	0	354.841	3.065	40	30		FGEBRN
COc1cc(CNCC#N)cc(Br)c1OCc1cccnc1	ZINC000022107424	263384768	/nfs/dbraw/zinc/38/47/68/263384768.db2.gz	REIZFOKEXLRWLO-UHFFFAOYSA-N	0	0	362.227	3.045	40	30		FGEBRN
Cc1nc(NC(=N)NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc2ccccc12	ZINC000027834717	263390002	/nfs/dbraw/zinc/39/00/02/263390002.db2.gz	XWDDSTNBVGWDNM-UHFFFAOYSA-N	0	0	364.365	3.392	40	30		FGEBRN
C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OC)c1O	ZINC000409243048	263546161	/nfs/dbraw/zinc/54/61/61/263546161.db2.gz	UWGGEAOXZMUMMT-RVDMUPIBSA-N	0	0	363.435	3.202	40	30		FGEBRN
CC(=O)NC1=C(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O	ZINC000003125016	493830692	/nfs/dbraw/zinc/83/06/92/493830692.db2.gz	CRWXWIMODPORMR-UHFFFAOYSA-N	0	0	370.202	3.376	40	30		FGEBRN
COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(F)cc1	ZINC000058822834	493887143	/nfs/dbraw/zinc/88/71/43/493887143.db2.gz	OLZPKWSICPKPEU-DNTJNYDQSA-N	0	0	367.833	3.234	40	30		FGEBRN
COc1ccc(/C=N/N2C(=O)CN(C(C)C)[C@H]2c2ccc(OC)cc2)cc1	ZINC000055190208	494312324	/nfs/dbraw/zinc/31/23/24/494312324.db2.gz	BQEJVYDRCGJWFJ-XWRADEMYSA-N	0	0	367.449	3.289	40	30		FGEBRN
O=C1Nc2cccc(C(F)(F)F)c2C1=NNc1ccccc1[N+](=O)[O-]	ZINC000017429760	494413994	/nfs/dbraw/zinc/41/39/94/494413994.db2.gz	UZODQOQNGDCSCC-UHFFFAOYSA-N	0	0	350.256	3.382	40	30		FGEBRN
CC1=C/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)C(Br)=C(C)C1=O	ZINC000026787177	494838216	/nfs/dbraw/zinc/83/82/16/494838216.db2.gz	ZBZMXGJNCZZJLA-SFQUDFHCSA-N	0	0	363.167	3.374	40	30		FGEBRN
O=C(Nc1ccccc1)C(Br)=NNc1ccc([N+](=O)[O-])cc1	ZINC000111283110	495058219	/nfs/dbraw/zinc/05/82/19/495058219.db2.gz	QYCDUIDTGPXYGM-AQTBWJFISA-N	0	0	363.171	3.354	40	30		FGEBRN
CCCCCCCCN(CC(=O)N(CC)CC)CC(=O)N(CC)CC	ZINC000100933153	495067009	/nfs/dbraw/zinc/06/70/09/495067009.db2.gz	NQBPLGYYJQOJQE-UHFFFAOYSA-N	0	0	355.567	3.386	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225652719	497071043	/nfs/dbraw/zinc/07/10/43/497071043.db2.gz	DVSCMVJEOFTSTM-OKZBNKHCSA-N	0	0	361.850	3.090	40	30		FGEBRN
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225655715	497071075	/nfs/dbraw/zinc/07/10/75/497071075.db2.gz	IGBIWGLJVMEBNC-KSZLIROESA-N	0	0	361.850	3.090	40	30		FGEBRN
COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C(F)(F)F)n2)cc1	ZINC000225894665	497078582	/nfs/dbraw/zinc/07/85/82/497078582.db2.gz	HWDHVXHHQWJHLN-UHFFFAOYSA-N	0	0	368.340	3.028	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252516187	497309258	/nfs/dbraw/zinc/30/92/58/497309258.db2.gz	QLWPPTGRGHFDHC-XUVXKRRUSA-N	0	0	355.459	3.481	40	30		FGEBRN
O=C1c2cc(-c3ccc(C=Nn4cnnc4)o3)ccc2C(=O)[C@H]2C=CCC=C12	ZINC000254415205	497348736	/nfs/dbraw/zinc/34/87/36/497348736.db2.gz	SFJMNAXVASQKLI-JKSUJKDBSA-N	0	0	370.368	3.158	40	30		FGEBRN
CC1(C)C(=O)N(c2ccccc2)/C(=N\C2CCCCC2)[C@H]1N1CCOCC1	ZINC000255187556	497360881	/nfs/dbraw/zinc/36/08/81/497360881.db2.gz	FIDLRCLALVYZQF-IGTQYIEMSA-N	0	0	369.509	3.491	40	30		FGEBRN
C=CCN(c1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1)S(C)(=O)=O	ZINC000260790392	497406260	/nfs/dbraw/zinc/40/62/60/497406260.db2.gz	CNYXHRVCKATWDY-INIZCTEOSA-N	0	0	372.490	3.172	40	30		FGEBRN
CC(C)[C@@H](CO)Nc1nc(Nc2cccc(C#N)c2)cc(-c2cccnc2)n1	ZINC000328970865	499002799	/nfs/dbraw/zinc/00/27/99/499002799.db2.gz	DNAVYLYLVOQGHV-LJQANCHMSA-N	0	0	374.448	3.005	40	30		FGEBRN
O=c1nc(NN=Cc2ccc(O)cc2)n(-c2ccccc2)c2ccccc12	ZINC000408731783	499594491	/nfs/dbraw/zinc/59/44/91/499594491.db2.gz	NAFTWYIQALXPPF-HYARGMPZSA-N	0	0	356.385	3.372	40	30		FGEBRN
O=c1nc(NN=Cc2cccc(O)c2)n(-c2ccccc2)c2ccccc12	ZINC000408733009	499594595	/nfs/dbraw/zinc/59/45/95/499594595.db2.gz	VAEGKAGOJZNGAI-HYARGMPZSA-N	0	0	356.385	3.372	40	30		FGEBRN
C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000216899788	518292878	/nfs/dbraw/zinc/29/28/78/518292878.db2.gz	SHGQREPOSFPWMM-YRNVUSSQSA-N	0	0	367.357	3.372	40	30		FGEBRN
CC(=CC(=O)ONC(=O)c1ccc(C)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000016292023	518412256	/nfs/dbraw/zinc/41/22/56/518412256.db2.gz	ZPHRZDCRTXXYAL-QBFSEMIESA-N	0	0	355.350	3.107	40	30		FGEBRN
C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cccs1	ZINC000225135965	518805180	/nfs/dbraw/zinc/80/51/80/518805180.db2.gz	VOSKNANDFLZJDG-UHFFFAOYSA-N	0	0	354.409	3.046	40	30		FGEBRN
C=CCN(c1ccc(C(=O)NCCC)cc1)S(=O)(=O)c1ccccc1	ZINC000224374122	518806802	/nfs/dbraw/zinc/80/68/02/518806802.db2.gz	IVTISUGFVUHOLA-UHFFFAOYSA-N	0	0	358.463	3.208	40	30		FGEBRN
C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224819749	518811083	/nfs/dbraw/zinc/81/10/83/518811083.db2.gz	HTXCECYYENAXQD-UHFFFAOYSA-N	0	0	359.447	3.456	40	30		FGEBRN
C=CCN(c1cccc(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225084128	518815820	/nfs/dbraw/zinc/81/58/20/518815820.db2.gz	QFCFGWMLQZHSDC-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1	ZINC000004967590	518915488	/nfs/dbraw/zinc/91/54/88/518915488.db2.gz	VZPNAHLCXMLOCU-LJQANCHMSA-N	0	0	362.433	3.203	40	30		FGEBRN
C=CCOc1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1	ZINC000223754959	519032870	/nfs/dbraw/zinc/03/28/70/519032870.db2.gz	IBIOADNIJBLIJD-UHFFFAOYSA-N	0	0	365.426	3.220	40	30		FGEBRN
CN(C)c1nc(N=NCc2ccc(F)cc2)nc(NCc2ccccc2)n1	ZINC000004474097	522329517	/nfs/dbraw/zinc/32/95/17/522329517.db2.gz	JCHBXZOHYSBJJZ-LPYMAVHISA-N	0	0	365.416	3.135	40	30		FGEBRN
COc1ccc(CN/N=C/c2cc(Cl)c(O)c(OC)c2)cc1OC	ZINC000020195753	524017824	/nfs/dbraw/zinc/01/78/24/524017824.db2.gz	OXAHNFZKUCPTFQ-KEBDBYFISA-N	0	0	350.802	3.195	40	30		FGEBRN
Oc1cccc(C=NN2C(=S)N=NC2c2ccc(OC(F)F)cc2)c1	ZINC000008185386	526356600	/nfs/dbraw/zinc/35/66/00/526356600.db2.gz	ZYFVBLGLVWAUSJ-DJKKODMXSA-N	0	0	362.361	3.423	40	30		FGEBRN
C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)cc3)oc21	ZINC000216729585	571141355	/nfs/dbraw/zinc/14/13/55/571141355.db2.gz	DTSHESXAYNFYCT-UHFFFAOYSA-N	0	0	352.302	3.202	40	30		FGEBRN
N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	ZINC000409173618	571319535	/nfs/dbraw/zinc/31/95/35/571319535.db2.gz	MOZLGGNBASMSMH-NTUHNPAUSA-N	0	0	355.331	3.296	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@@H](C)C(=O)C=C[C@]1(C)O	ZINC000958317926	762678709	/nfs/dbraw/zinc/67/87/09/762678709.db2.gz	BIGBTKXKWUHWLH-FWJNGRQBSA-N	0	0	350.455	3.012	40	30		FGEBRN
CC1CCN(C(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)CC1	ZINC000003136733	204079829	/nfs/dbraw/zinc/07/98/29/204079829.db2.gz	WPNFXIBNHMYVMQ-LLVKDONJSA-N	0	0	373.215	3.440	40	30		FGEBRN
COc1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1	ZINC000004127415	204123050	/nfs/dbraw/zinc/12/30/50/204123050.db2.gz	NIQNGEJIBOTJBP-XAMWDVODSA-N	0	0	362.389	3.204	40	30		FGEBRN
O=c1c(Cl)c(NN=Cc2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	ZINC000005776080	204224681	/nfs/dbraw/zinc/22/46/81/204224681.db2.gz	KVGOFRMCRJMKCD-VXLYETTFSA-N	0	0	369.768	3.240	40	30		FGEBRN
CSC(N)=NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2	ZINC000006232634	204242347	/nfs/dbraw/zinc/24/23/47/204242347.db2.gz	HQHUGFRYEKXPQL-UHFFFAOYSA-N	0	0	356.513	3.082	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1	ZINC000222477174	205420446	/nfs/dbraw/zinc/42/04/46/205420446.db2.gz	HIIDVNLHQFUNNT-UHFFFAOYSA-N	0	0	374.462	3.208	40	30		FGEBRN
C[C@@H]1CCCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)C1	ZINC000001355140	206148795	/nfs/dbraw/zinc/14/87/95/206148795.db2.gz	SPUWZADSORHLPU-GFCCVEGCSA-N	0	0	369.446	3.186	40	30		FGEBRN
C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3ccccc3c1)CC(=O)N2	ZINC000004944288	206185209	/nfs/dbraw/zinc/18/52/09/206185209.db2.gz	QTVOUMIWBZSHME-OAHLLOKOSA-N	0	0	361.426	3.123	40	30		FGEBRN
COc1ccccc1NC(=S)N/N=C/c1ccc(-n2ccnc2)cc1	ZINC000007900110	206211486	/nfs/dbraw/zinc/21/14/86/206211486.db2.gz	DFKNGCRWZKQQFK-UDWIEESQSA-N	0	0	351.435	3.201	40	30		FGEBRN
O=c1c2ccccc2nc2c3ccccc3c(N/N=C/c3cccnc3)nn12	ZINC000005753111	206197694	/nfs/dbraw/zinc/19/76/94/206197694.db2.gz	XSDKORBXSMWQEV-YDZHTSKRSA-N	0	0	366.384	3.237	40	30		FGEBRN
Cc1cc(/C=N\NC(N)=S)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000015224868	206313914	/nfs/dbraw/zinc/31/39/14/206313914.db2.gz	MBBVWOIQMWSAHG-UKWGHVSLSA-N	0	0	357.508	3.073	40	30		FGEBRN
COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C(=O)N1CCCC1	ZINC000225959562	206507613	/nfs/dbraw/zinc/50/76/13/206507613.db2.gz	MAUMQIYUEHXPMU-UHFFFAOYSA-N	0	0	355.438	3.344	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1	ZINC000408703514	263485732	/nfs/dbraw/zinc/48/57/32/263485732.db2.gz	UEMQXCSIMQUUSL-UHFFFAOYSA-N	0	0	374.462	3.290	40	30		FGEBRN
CCOc1cc2c(cc1/C=N\c1ccc(N3CCOCC3)cc1)OCO2	ZINC000409085567	263523976	/nfs/dbraw/zinc/52/39/76/263523976.db2.gz	DJYWPSDTBBJDEY-BKUYFWCQSA-N	0	0	354.406	3.401	40	30		FGEBRN
CCCCOc1ccc(C=NN2C(=O)CSC2=S)cc1OCC	ZINC000409350324	263550490	/nfs/dbraw/zinc/55/04/90/263550490.db2.gz	XVULLXIUGYXCJB-LICLKQGHSA-N	0	0	352.481	3.458	40	30		FGEBRN
C[C@@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	ZINC000000900588	493777917	/nfs/dbraw/zinc/77/79/17/493777917.db2.gz	HCYXJDLNWMBUHZ-HQJQHLMTSA-N	0	0	366.759	3.066	40	30		FGEBRN
COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000006641700	493972040	/nfs/dbraw/zinc/97/20/40/493972040.db2.gz	BGAHJMYJMMNPOB-YCRREMRBSA-N	0	0	368.389	3.336	40	30		FGEBRN
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2CC1	ZINC000016185280	494380611	/nfs/dbraw/zinc/38/06/11/494380611.db2.gz	OCXRSLZMMPCDEY-WVEXTXKBSA-N	0	0	358.825	3.270	40	30		FGEBRN
O=C(C(=NNc1cn[nH]c(=O)c1Cl)c1ccccc1)c1ccccc1	ZINC000017863008	494418637	/nfs/dbraw/zinc/41/86/37/494418637.db2.gz	QFAOICFSALFBQW-CJLVFECKSA-N	0	0	352.781	3.122	40	30		FGEBRN
Cc1nc(NC2=NCN([C@@H]3CCC[C@@H](C)[C@H]3C)CN2)nc2ccccc12	ZINC000019332581	494442652	/nfs/dbraw/zinc/44/26/52/494442652.db2.gz	HSZAZYDQEZJAEE-HBUWYVDXSA-N	0	0	352.486	3.160	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000020450687	494473412	/nfs/dbraw/zinc/47/34/12/494473412.db2.gz	SDOLRCIUVGSQIV-UHFFFAOYSA-N	0	0	350.827	3.057	40	30		FGEBRN
Clc1ccc(/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc1	ZINC000100044049	495062577	/nfs/dbraw/zinc/06/25/77/495062577.db2.gz	AZNFSQIQXFWTMM-QOCHGBHMSA-N	0	0	352.869	3.267	40	30		FGEBRN
CC1=CC(=O)C=C/C1=N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000101027906	495067543	/nfs/dbraw/zinc/06/75/43/495067543.db2.gz	NPDBPLVAPRQSBF-WRBBJXAJSA-N	0	0	364.426	3.348	40	30		FGEBRN
N#C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218178626	497000932	/nfs/dbraw/zinc/00/09/32/497000932.db2.gz	PWULOKMHANZEPC-COXVUDFISA-N	0	0	361.806	3.148	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000225659748	497070459	/nfs/dbraw/zinc/07/04/59/497070459.db2.gz	GLBVMFYOFSNHPH-OKZBNKHCSA-N	0	0	359.834	3.297	40	30		FGEBRN
COc1ccc(Cn2nc(OCc3ccc(F)cc3)c(C#N)c2N)cc1	ZINC000225848142	497077078	/nfs/dbraw/zinc/07/70/78/497077078.db2.gz	QGNIBJVHOPZFSV-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000252515476	497309228	/nfs/dbraw/zinc/30/92/28/497309228.db2.gz	KHUFKDXTQUJARO-NLWGTHIKSA-N	0	0	369.442	3.008	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000242648739	497355828	/nfs/dbraw/zinc/35/58/28/497355828.db2.gz	RFLKWMVSTSCAJK-VAMGGRTRSA-N	0	0	355.459	3.400	40	30		FGEBRN
CC1(C)C(=O)N(c2ccccc2)/C(=N\C2CCCCC2)[C@@H]1N1CCOCC1	ZINC000255187557	497360611	/nfs/dbraw/zinc/36/06/11/497360611.db2.gz	FIDLRCLALVYZQF-OBOGJDLMSA-N	0	0	369.509	3.491	40	30		FGEBRN
CC(=NNc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1ccccc1	ZINC000408725750	499594642	/nfs/dbraw/zinc/59/46/42/499594642.db2.gz	HHQNQUGKQCEULT-WGOQTCKBSA-N	0	0	373.464	3.473	40	30		FGEBRN
COC(=O)COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000409065740	499595687	/nfs/dbraw/zinc/59/56/87/499595687.db2.gz	MMRUXKSVQGRXLB-ODCIPOBUSA-N	0	0	353.300	3.098	40	30		FGEBRN
C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2	ZINC000585106988	507572136	/nfs/dbraw/zinc/57/21/36/507572136.db2.gz	MYKFTDZLRDWZHS-QFIPXVFZSA-N	0	0	362.477	3.496	40	30		FGEBRN
N#Cc1ccc(Nc2nc([C@@H]3CCCCN3Cc3cn[nH]c3)cs2)cn1	ZINC000585294085	507588200	/nfs/dbraw/zinc/58/82/00/507588200.db2.gz	NNTLQDAAFMLQFG-KRWDZBQOSA-N	0	0	365.466	3.026	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224901030	518812786	/nfs/dbraw/zinc/81/27/86/518812786.db2.gz	GDUOSDSWNVSANH-UHFFFAOYSA-N	0	0	366.389	3.305	40	30		FGEBRN
C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc(OC)c2)s1	ZINC000225740852	519088982	/nfs/dbraw/zinc/08/89/82/519088982.db2.gz	RJLDCFJQWDMKCG-JTQLQIEISA-N	0	0	351.453	3.231	40	30		FGEBRN
CCOC(=O)c1c(C)c2c(n1C)CCC(=CNCCc1ccccc1)C2=O	ZINC000104154032	521391533	/nfs/dbraw/zinc/39/15/33/521391533.db2.gz	XLJAIEAPOWGRFJ-SAPNQHFASA-N	0	0	366.461	3.355	40	30		FGEBRN
CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224779565	521487319	/nfs/dbraw/zinc/48/73/19/521487319.db2.gz	ZCXOHYCASNXAJD-UHFFFAOYSA-N	0	0	359.407	3.185	40	30		FGEBRN
C=CCOc1c(CC=C)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC	ZINC000409079324	570720603	/nfs/dbraw/zinc/72/06/03/570720603.db2.gz	JJPNZJBENHRJCF-LFIBNONCSA-N	0	0	372.446	3.095	40	30		FGEBRN
C#CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	ZINC000409092211	570722154	/nfs/dbraw/zinc/72/21/54/570722154.db2.gz	TXCDWOQMEFENIE-CNYBTUBUSA-N	0	0	359.472	3.079	40	30		FGEBRN
COc1cc(N2CCCCC2)ccc1CN=Nc1ncccc1[N+](=O)[O-]	ZINC000409107549	570726953	/nfs/dbraw/zinc/72/69/53/570726953.db2.gz	SDFMICPBQDHKCA-DEDYPNTBSA-N	0	0	355.398	3.435	40	30		FGEBRN
CCOc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)cc1OC	ZINC000409355034	570752961	/nfs/dbraw/zinc/75/29/61/570752961.db2.gz	BTFPANRWRZAMOF-UHFFFAOYSA-N	0	0	373.796	3.045	40	30		FGEBRN
CCOc1ccc(-n2cccc2C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1	ZINC000409357380	570753300	/nfs/dbraw/zinc/75/33/00/570753300.db2.gz	IUNBGBZEFZPIKS-UHFFFAOYSA-N	0	0	374.400	3.174	40	30		FGEBRN
COc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1	ZINC000001354698	219397569	/nfs/dbraw/zinc/39/75/69/219397569.db2.gz	RJCYVTPAGKPVTR-UHFFFAOYSA-N	0	0	355.463	3.466	40	30		FGEBRN
C=CCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000008477657	209511220	/nfs/dbraw/zinc/51/12/20/209511220.db2.gz	FIHSZQOBGCKRCL-UHFFFAOYSA-N	0	0	363.417	3.302	40	30		FGEBRN
O=C1CS/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N1c1ccccc1	ZINC000100975156	209220640	/nfs/dbraw/zinc/22/06/40/209220640.db2.gz	SCZIXBPCPRBVDL-BMRADRMJSA-N	0	0	366.851	3.165	40	30		FGEBRN
CC1=C/C(=N\C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=CC1=O	ZINC000017968819	220220773	/nfs/dbraw/zinc/22/07/73/220220773.db2.gz	JJCCWKXXBJEXDO-VXTJRRPDSA-N	0	0	364.426	3.348	40	30		FGEBRN
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2CC1	ZINC000004305457	207012259	/nfs/dbraw/zinc/01/22/59/207012259.db2.gz	OCXRSLZMMPCDEY-PLYCEOIHSA-N	0	0	358.825	3.270	40	30		FGEBRN
COc1ccccc1[C@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3	ZINC000005023825	207072401	/nfs/dbraw/zinc/07/24/01/207072401.db2.gz	SQOKEPRIYFHPFR-SMOSDQRPSA-N	0	0	362.389	3.204	40	30		FGEBRN
CCN(CC)S(=O)(=O)c1cccc(N=NC2C=Nc3ccccc32)c1	ZINC000005525072	207104179	/nfs/dbraw/zinc/10/41/79/207104179.db2.gz	NDDOHVKNONHYQC-UZYVYHOESA-N	0	0	356.451	3.249	40	30		FGEBRN
CC(=O)/C=C/C=C\c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	ZINC000017175011	207614210	/nfs/dbraw/zinc/61/42/10/207614210.db2.gz	RCKPFEXECYJLFV-ORSQMDHMSA-N	0	0	368.385	3.130	40	30		FGEBRN
COc1ccc([C@@]2(C)NC(=O)N(N=CC3=CC[C@@H]4C[C@H]3C4(C)C)C2=O)cc1	ZINC000035637633	208131888	/nfs/dbraw/zinc/13/18/88/208131888.db2.gz	WLTAYVJOTRVOHA-UNIBGZHJSA-N	0	0	367.449	3.440	40	30		FGEBRN
COc1cc2c(cc1OC)C(=NN=c1[nH]c3ccccc3s1)C(=O)N2	ZINC000043906819	208308622	/nfs/dbraw/zinc/30/86/22/208308622.db2.gz	PLSRNNCSMHUREX-UHFFFAOYSA-N	0	0	354.391	3.082	40	30		FGEBRN
C=CCN1C(=O)C(=Cc2cc3c4c(c2)CCCN4CCC3)C(=O)NC1=S	ZINC000001307122	132373615	/nfs/dbraw/zinc/37/36/15/132373615.db2.gz	UAAYLWLOUNUESO-FOWTUZBSSA-N	0	0	367.474	3.038	40	30		FGEBRN
C=CCOc1c(Cl)cc(CNc2nnnn2CCCC)cc1OC	ZINC000007262122	263349509	/nfs/dbraw/zinc/34/95/09/263349509.db2.gz	CHSHXPHSYJMEJX-UHFFFAOYSA-N	0	0	351.838	3.312	40	30		FGEBRN
C#CC[N@H+]1CCC[C@@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)C1	ZINC000019529971	263374442	/nfs/dbraw/zinc/37/44/42/263374442.db2.gz	MBPCREBAYFPQCK-UGKGYDQZSA-N	0	0	368.477	3.157	40	30		FGEBRN
CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=N/n2cnnc2)c1C	ZINC000408911682	263506910	/nfs/dbraw/zinc/50/69/10/263506910.db2.gz	BYPBXDBQDSBYLN-ODCIPOBUSA-N	0	0	371.466	3.423	40	30		FGEBRN
CCOc1ccc(Br)cc1/C=C1/S/C(=N/C)N(C)C1=O	ZINC000408930054	263507783	/nfs/dbraw/zinc/50/77/83/263507783.db2.gz	RKLIQUABYMDACL-LUOFJIKJSA-N	0	0	355.257	3.380	40	30		FGEBRN
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/O)cc2Br)cc1	ZINC000408936429	263509052	/nfs/dbraw/zinc/50/90/52/263509052.db2.gz	GIRMRMHRFQQLMJ-CXUHLZMHSA-N	0	0	370.224	3.333	40	30		FGEBRN
CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O	ZINC000409237471	263545578	/nfs/dbraw/zinc/54/55/78/263545578.db2.gz	USHPYUWOTVVXER-LDADJPATSA-N	0	0	361.401	3.440	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1	ZINC000409295350	263548031	/nfs/dbraw/zinc/54/80/31/263548031.db2.gz	OGHISBSCWHJBCR-UHFFFAOYSA-N	0	0	367.206	3.221	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Cl)c1	ZINC000004944597	493902426	/nfs/dbraw/zinc/90/24/26/493902426.db2.gz	MCEDWWLOTNDACG-GFCCVEGCSA-N	0	0	361.854	3.186	40	30		FGEBRN
COc1ccc(C=NNc2cn[nH]c(=O)c2Cl)cc1Br	ZINC000031783717	493960663	/nfs/dbraw/zinc/96/06/63/493960663.db2.gz	CMOXDAFNRZOFKV-WCSRMQSCSA-N	0	0	357.595	3.053	40	30		FGEBRN
CCOC(=O)COc1ccc(C=C2C(=O)CC(C)(C)CC2=O)cc1OCC	ZINC000033624341	494060771	/nfs/dbraw/zinc/06/07/71/494060771.db2.gz	KNWWANONGWUPIC-UHFFFAOYSA-N	0	0	374.433	3.369	40	30		FGEBRN
CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCCC1	ZINC000034702156	494066799	/nfs/dbraw/zinc/06/67/99/494066799.db2.gz	XMMJYTLSCOTMTP-JXAWBTAJSA-N	0	0	354.248	3.224	40	30		FGEBRN
CC(=O)/C=C1\NC(=O)c2ccccc2N1C1=CCN(Cc2ccccc2)CC1	ZINC000012117989	494206191	/nfs/dbraw/zinc/20/61/91/494206191.db2.gz	XTGIQONULLLRPL-PXLXIMEGSA-N	0	0	373.456	3.457	40	30		FGEBRN
COc1ccc(Cl)cc1/C=C\C=N\c1ccc(S(N)(=O)=O)cc1	ZINC000016920243	494404095	/nfs/dbraw/zinc/40/40/95/494404095.db2.gz	BPYINGGETDQRCD-OTSRNVLMSA-N	0	0	350.827	3.412	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218362002	497002861	/nfs/dbraw/zinc/00/28/61/497002861.db2.gz	RFLKWMVSTSCAJK-HSALFYBXSA-N	0	0	355.459	3.400	40	30		FGEBRN
N#CC1(c2ccc(NC(=O)c3cn4c5c(cccc5c3=O)CC4)cc2)CC1	ZINC000225860946	497077675	/nfs/dbraw/zinc/07/76/75/497077675.db2.gz	FIVDXXIMIKUORM-UHFFFAOYSA-N	0	0	355.397	3.365	40	30		FGEBRN
N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CC[C@@H](c2ccccc2)C1	ZINC000256045619	497381914	/nfs/dbraw/zinc/38/19/14/497381914.db2.gz	ADAMSZLYYKGONF-OAHLLOKOSA-N	0	0	360.377	3.041	40	30		FGEBRN
Cc1cc(C)cc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1	ZINC000256047664	497382753	/nfs/dbraw/zinc/38/27/53/497382753.db2.gz	NWYKPFCCVDYZFL-UHFFFAOYSA-N	0	0	358.449	3.082	40	30		FGEBRN
CC(C)(C)[C@@]1(C)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O	ZINC000193752250	497468943	/nfs/dbraw/zinc/46/89/43/497468943.db2.gz	XYWPKTOJKCLINK-INIZCTEOSA-N	0	0	364.243	3.177	40	30		FGEBRN
CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C	ZINC000408708489	499594061	/nfs/dbraw/zinc/59/40/61/499594061.db2.gz	IQVZSLHZMATJAE-UHFFFAOYSA-N	0	0	361.486	3.240	40	30		FGEBRN
C=CCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC	ZINC000408703048	499594131	/nfs/dbraw/zinc/59/41/31/499594131.db2.gz	MBMWJQZBOYTZGY-UHFFFAOYSA-N	0	0	355.434	3.413	40	30		FGEBRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(O)c(OC)c1	ZINC000408736392	499594593	/nfs/dbraw/zinc/59/45/93/499594593.db2.gz	BLLALONRHSAEEI-RYFGYPJOSA-N	0	0	352.390	3.085	40	30		FGEBRN
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Br)cc1O	ZINC000408928418	499595486	/nfs/dbraw/zinc/59/54/86/499595486.db2.gz	AZLWLVQRFWACSQ-VQGSKFNHSA-N	0	0	371.256	3.085	40	30		FGEBRN
C=CCOc1c(CC=C)cc(C=C(C(=O)OC)C(=O)OC)cc1OCC	ZINC000409068062	499595802	/nfs/dbraw/zinc/59/58/02/499595802.db2.gz	SPAKGTXOKIYQKJ-UHFFFAOYSA-N	0	0	360.406	3.108	40	30		FGEBRN
C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2cc4c(cc2O[C@H]31)OCO4	ZINC000225453258	518644780	/nfs/dbraw/zinc/64/47/80/518644780.db2.gz	QAECYLYDFBBCCO-LVXYXVKQSA-N	0	0	366.369	3.009	40	30	biogenic,in-vitro	FGEBRN
C=CCN(c1ccc(C(=O)NCC(C)C)cc1)S(=O)(=O)c1ccccc1	ZINC000224367898	518806681	/nfs/dbraw/zinc/80/66/81/518806681.db2.gz	ALTCDRYWBSROJD-UHFFFAOYSA-N	0	0	372.490	3.454	40	30		FGEBRN
C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224822843	518815877	/nfs/dbraw/zinc/81/58/77/518815877.db2.gz	LVZMMZAUQAIGAO-UHFFFAOYSA-N	0	0	365.838	3.493	40	30		FGEBRN
C=CCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000044900008	519041812	/nfs/dbraw/zinc/04/18/12/519041812.db2.gz	LKISEBVMEVJEBX-UHFFFAOYSA-N	0	0	372.446	3.179	40	30		FGEBRN
CCOC(=O)C1=C(C)NC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000016682317	520478562	/nfs/dbraw/zinc/47/85/62/520478562.db2.gz	FIUKIHKCWCPPOP-XNTDXEJSSA-N	0	0	368.345	3.205	40	30		FGEBRN
CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)cc1	ZINC000224732318	523637611	/nfs/dbraw/zinc/63/76/11/523637611.db2.gz	ARWSDXNEKQFOGE-UHFFFAOYSA-N	0	0	365.252	3.340	40	30		FGEBRN
Cc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O	ZINC000001652382	525031952	/nfs/dbraw/zinc/03/19/52/525031952.db2.gz	JPKDJFBEERCSRW-PTNGSMBKSA-N	0	0	356.476	3.118	40	30		FGEBRN
C=CCN1C(=O)/C(=C/c2ccc(OCC)c3ccccc23)C(=O)NC1=S	ZINC000408902556	570697603	/nfs/dbraw/zinc/69/76/03/570697603.db2.gz	JWSHMOLENHYFFR-FOWTUZBSSA-N	0	0	366.442	3.051	40	30		FGEBRN
CCOc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1Br	ZINC000408929533	570700386	/nfs/dbraw/zinc/70/03/86/570700386.db2.gz	KQSCPPZBXQYTHB-LUOFJIKJSA-N	0	0	355.257	3.380	40	30		FGEBRN
CN(C)c1ccc(-n2cccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1	ZINC000408951380	570702139	/nfs/dbraw/zinc/70/21/39/570702139.db2.gz	IXQLELSFLYBRMN-HYARGMPZSA-N	0	0	358.401	3.173	40	30		FGEBRN
CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)S2)cc1	ZINC000408953925	570702420	/nfs/dbraw/zinc/70/24/20/570702420.db2.gz	QQUMXSNGOGXSFF-UKTHLTGXSA-N	0	0	359.363	3.478	40	30		FGEBRN
C#CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000409092212	570721889	/nfs/dbraw/zinc/72/18/89/570721889.db2.gz	TXCDWOQMEFENIE-DFSFMLJYSA-N	0	0	359.472	3.079	40	30		FGEBRN
COCCCN1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O	ZINC000409246621	570745453	/nfs/dbraw/zinc/74/54/53/570745453.db2.gz	JQOORXYCSRFXIF-LFIBNONCSA-N	0	0	355.419	3.238	40	30		FGEBRN
C#CCn1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc21	ZINC000409250336	570745867	/nfs/dbraw/zinc/74/58/67/570745867.db2.gz	XDWJDSIZQMVKJY-SFQUDFHCSA-N	0	0	354.431	3.347	40	30		FGEBRN
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C	ZINC000409324622	570750713	/nfs/dbraw/zinc/75/07/13/570750713.db2.gz	UEWJHNATZXEQTP-UHFFFAOYSA-N	0	0	373.254	3.332	40	30		FGEBRN
Cc1ccc(-c2ccc(C=NN3C(=O)CSC3=S)o2)cc1[N+](=O)[O-]	ZINC000409339625	570750894	/nfs/dbraw/zinc/75/08/94/570750894.db2.gz	XGAUHXMZQQTTES-APSNUPSMSA-N	0	0	361.404	3.357	40	30		FGEBRN
O=C1CSC(=S)N1/N=C\c1cccc(OCCOc2ccccc2)c1	ZINC000409344782	570751754	/nfs/dbraw/zinc/75/17/54/570751754.db2.gz	HDOGIZXYZIXHQB-UNOMPAQXSA-N	0	0	372.471	3.339	40	30		FGEBRN
N#Cc1c(N)nc2sc(C(=O)N3CCCC3)c(N)c2c1-c1cccs1	ZINC000197665542	571291947	/nfs/dbraw/zinc/29/19/47/571291947.db2.gz	JYNMVSODQRPHLP-UHFFFAOYSA-N	0	0	369.475	3.297	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218454982	209667696	/nfs/dbraw/zinc/66/76/96/209667696.db2.gz	ICBYPOBNMXLKFT-FHWLQOOXSA-N	0	0	359.422	3.230	40	30		FGEBRN
CN(C)c1ccc(-c2nnc([C@H]3CCN(c4ccc(C#N)cn4)C3)o2)cc1	ZINC000049171328	209334680	/nfs/dbraw/zinc/33/46/80/209334680.db2.gz	JYIWHOZOBZNWPN-INIZCTEOSA-N	0	0	360.421	3.063	40	30	biogenic,in-vitro	FGEBRN
CN1C(=O)/C(=C/c2cccc3nccnc23)S/C1=N/c1nccs1	ZINC000102760149	209240987	/nfs/dbraw/zinc/24/09/87/209240987.db2.gz	JXUDNJAUOLJRLE-IDMLAMRTSA-N	0	0	353.432	3.320	40	30		FGEBRN
CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1	ZINC000100975364	209220275	/nfs/dbraw/zinc/22/02/75/209220275.db2.gz	BXJCJGSWZUGVAD-VRTBNJGNSA-N	0	0	374.487	3.376	40	30		FGEBRN
O=C(/C(=C\N1CCCCCC1)c1nnnn1-c1ccccc1)C(F)(F)F	ZINC000100038946	209207410	/nfs/dbraw/zinc/20/74/10/209207410.db2.gz	WREDDYBFGIVHTA-WYMLVPIESA-N	0	0	365.359	3.011	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl	ZINC000030757205	206754224	/nfs/dbraw/zinc/75/42/24/206754224.db2.gz	QMLHFLPYFXUABG-UHFFFAOYSA-N	0	0	350.827	3.057	40	30		FGEBRN
CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@H](C)CC1=N2	ZINC000022608314	207814539	/nfs/dbraw/zinc/81/45/39/207814539.db2.gz	GHOHWLMGXIHTGN-PIGZYNQJSA-N	0	0	369.494	3.334	40	30		FGEBRN
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000033797821	263397211	/nfs/dbraw/zinc/39/72/11/263397211.db2.gz	QFSHLMQCPDQOFL-SDXDJHTJSA-N	0	0	373.321	3.127	40	30		FGEBRN
CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(N(C)C)cc3)N[C@@H]2NN1	ZINC000035193862	263397880	/nfs/dbraw/zinc/39/78/80/263397880.db2.gz	NWKTUUJCENYCME-YSIASYRMSA-N	0	0	352.482	3.004	40	30		FGEBRN
C=CCn1c(CCCC)nnc1S[C@H](C)C(=O)Nc1nccs1	ZINC000408560410	263471609	/nfs/dbraw/zinc/47/16/09/263471609.db2.gz	HUANYXYNHJTXLV-LLVKDONJSA-N	0	0	351.501	3.383	40	30		FGEBRN
CCn1c2ccccc2nc1NN=Cc1cn(CCC(N)=O)c2ccccc12	ZINC000408692408	263484739	/nfs/dbraw/zinc/48/47/39/263484739.db2.gz	LXGCAUZSRIZLES-YDZHTSKRSA-N	0	0	374.448	3.332	40	30		FGEBRN
C=CCNC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1	ZINC000408976458	263512760	/nfs/dbraw/zinc/51/27/60/263512760.db2.gz	RBJVYQSRUUDQFB-UHFFFAOYSA-N	0	0	363.398	3.013	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1	ZINC000409306145	263547977	/nfs/dbraw/zinc/54/79/77/263547977.db2.gz	OYZUWJKHVAMKMO-UHFFFAOYSA-N	0	0	358.195	3.055	40	30		FGEBRN
COc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1	ZINC000001354693	493792562	/nfs/dbraw/zinc/79/25/62/493792562.db2.gz	FPSMQBZVCKQZQQ-CYBMUJFWSA-N	0	0	355.463	3.466	40	30		FGEBRN
CCOc1ccc(S(=O)(=O)N/N=C/c2c(C)[nH]c3ccccc32)cc1	ZINC000003526728	493851443	/nfs/dbraw/zinc/85/14/43/493851443.db2.gz	JIXBNIRIDNOIRQ-XDHOZWIPSA-N	0	0	357.435	3.187	40	30		FGEBRN
C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc31)CC(=O)N2	ZINC000004944297	493902765	/nfs/dbraw/zinc/90/27/65/493902765.db2.gz	JXSPUXPRCNLMAF-HNNXBMFYSA-N	0	0	361.426	3.123	40	30		FGEBRN
CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C	ZINC000006047000	493949457	/nfs/dbraw/zinc/94/94/57/493949457.db2.gz	LVVIDFSUVCWLSX-UHFFFAOYSA-N	0	0	358.375	3.086	40	30		FGEBRN
COCc1cc(C)nc(SCC(=O)Nc2cccc(OC)c2)c1C#N	ZINC000006961401	493990004	/nfs/dbraw/zinc/99/00/04/493990004.db2.gz	UXTIIAXXXDQVAK-UHFFFAOYSA-N	0	0	357.435	3.148	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1	ZINC000007602034	494029647	/nfs/dbraw/zinc/02/96/47/494029647.db2.gz	GNBNLRLMODZQOV-UHFFFAOYSA-N	0	0	365.437	3.367	40	30		FGEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cc(OC)cc(OC)c1	ZINC000008221897	494076835	/nfs/dbraw/zinc/07/68/35/494076835.db2.gz	PEVYQVQXOQLOCS-ACHDJDMMSA-N	0	0	371.389	3.445	40	30		FGEBRN
C=CCOc1ccccc1NC(=O)c1cc2ncc(C(C)=O)c(C)n2n1	ZINC000012204241	494213903	/nfs/dbraw/zinc/21/39/03/494213903.db2.gz	WHQWEJNWOSXHME-UHFFFAOYSA-N	0	0	350.378	3.057	40	30		FGEBRN
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1C#N	ZINC000012656774	494249146	/nfs/dbraw/zinc/24/91/46/494249146.db2.gz	WQGCFNGITAJFSI-IEZWGBDMSA-N	0	0	373.449	3.484	40	30		FGEBRN
C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc(Br)c2)C1	ZINC000014164872	494308279	/nfs/dbraw/zinc/30/82/79/494308279.db2.gz	UQHXWTKCBDKFAA-VFZGTOFNSA-N	0	0	359.227	3.309	40	30		FGEBRN
C=CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl	ZINC000020112684	494468014	/nfs/dbraw/zinc/46/80/14/494468014.db2.gz	WNALJBHCAOGBOK-UHFFFAOYSA-N	0	0	364.854	3.365	40	30		FGEBRN
N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1	ZINC000020637776	494479563	/nfs/dbraw/zinc/47/95/63/494479563.db2.gz	KJGIRTLXAVRGJP-SWLSCSKDSA-N	0	0	367.206	3.480	40	30		FGEBRN
C=CCN(c1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1)S(C)(=O)=O	ZINC000216419680	496989624	/nfs/dbraw/zinc/98/96/24/496989624.db2.gz	FNQMCNOAEMKQEG-UHFFFAOYSA-N	0	0	372.490	3.219	40	30		FGEBRN
CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218332891	497000870	/nfs/dbraw/zinc/00/08/70/497000870.db2.gz	FZWCZLYJFXVTEJ-HBFSDRIKSA-N	0	0	369.442	3.008	40	30		FGEBRN
C=CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1	ZINC000222918923	497029442	/nfs/dbraw/zinc/02/94/42/497029442.db2.gz	CCRBWYVOBURHCG-KRWDZBQOSA-N	0	0	368.452	3.478	40	30		FGEBRN
C=CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1	ZINC000222914882	497029633	/nfs/dbraw/zinc/02/96/33/497029633.db2.gz	MXZCNBSTRIACAC-MRXNPFEDSA-N	0	0	354.425	3.088	40	30		FGEBRN
N#C[C@]1(C=O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000225667163	497070914	/nfs/dbraw/zinc/07/09/14/497070914.db2.gz	BBVPMVVRZBBECS-IKGGRYGDSA-N	0	0	363.797	3.128	40	30		FGEBRN
N#Cc1nn(-c2cccc(Cl)c2)nc1N1CCN(c2ccccc2)CC1	ZINC000256048106	497382631	/nfs/dbraw/zinc/38/26/31/497382631.db2.gz	QUDOSPWQKPSPOA-UHFFFAOYSA-N	0	0	364.840	3.119	40	30		FGEBRN
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/OCc1cccc([N+](=O)[O-])c1	ZINC000408591760	499592588	/nfs/dbraw/zinc/59/25/88/499592588.db2.gz	KGIUBIJYBHZYJG-RQZCQDPDSA-N	0	0	361.310	3.071	40	30		FGEBRN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000408692956	499593776	/nfs/dbraw/zinc/59/37/76/499593776.db2.gz	ZGOFCRJLYUZXAJ-YBFXNURJSA-N	0	0	369.381	3.428	40	30		FGEBRN
N#Cc1ccc(Nc2nc([C@H]3CCCCN3Cc3cn[nH]c3)cs2)cn1	ZINC000585294086	507587817	/nfs/dbraw/zinc/58/78/17/507587817.db2.gz	NNTLQDAAFMLQFG-QGZVFWFLSA-N	0	0	365.466	3.026	40	30		FGEBRN
C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1	ZINC000225147724	518779149	/nfs/dbraw/zinc/77/91/49/518779149.db2.gz	KRTNZJONBPCUBI-UHFFFAOYSA-N	0	0	359.447	3.240	40	30		FGEBRN
COc1cc(C(=O)O/N=C(\C)C(=O)c2cccs2)cc(OC)c1OC	ZINC000005517063	522169160	/nfs/dbraw/zinc/16/91/60/522169160.db2.gz	HNMSKEBFPZJAFJ-VCHYOVAHSA-N	0	0	363.391	3.190	40	30		FGEBRN
Cc1nn(C)c(F)c1CN=Nc1nc(-c2ccco2)cc(C(F)F)n1	ZINC000252508395	527670237	/nfs/dbraw/zinc/67/02/37/527670237.db2.gz	XMSBSRXVGBSILX-FBCYGCLPSA-N	0	0	350.304	3.301	40	30		FGEBRN
O=C(/C=C\c1cnn(-c2ccccc2)n1)/C=C\c1cnn(-c2ccccc2)n1	ZINC000409022973	570713902	/nfs/dbraw/zinc/71/39/02/570713902.db2.gz	AGTRPUFNTQLFHG-XSYHWHKQSA-N	0	0	368.400	3.144	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1Cl	ZINC000409038424	570715195	/nfs/dbraw/zinc/71/51/95/570715195.db2.gz	VHQPMFKSTYIJAF-LCYFTJDESA-N	0	0	369.273	3.425	40	30		FGEBRN
COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c1C	ZINC000409238920	570743466	/nfs/dbraw/zinc/74/34/66/570743466.db2.gz	OLFHKVDKAIRNNP-HYARGMPZSA-N	0	0	368.433	3.377	40	30		FGEBRN
COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1	ZINC000409280394	570748016	/nfs/dbraw/zinc/74/80/16/570748016.db2.gz	JDDJIHKDVPEMBX-UHFFFAOYSA-N	0	0	372.222	3.358	40	30		FGEBRN
Cc1ncc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)[nH]1	ZINC000328764881	571140908	/nfs/dbraw/zinc/14/09/08/571140908.db2.gz	GPCKNESQKNSHTC-ZDUSSCGKSA-N	0	0	359.430	3.159	40	30		FGEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@@H]2C)cc1	ZINC000225859098	209842181	/nfs/dbraw/zinc/84/21/81/209842181.db2.gz	CBVWIADFDYWOFP-INIZCTEOSA-N	0	0	350.466	3.242	40	30		FGEBRN
C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC3(OCCO3)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000118915170	209622312	/nfs/dbraw/zinc/62/23/12/209622312.db2.gz	MQTQESZYELRKMR-PMDVZJNISA-N	0	0	372.505	3.316	40	30		FGEBRN
Cc1cc(C)n(-c2cc(N=NC(C)c3ccc([N+](=O)[O-])cc3)nc(C)n2)n1	ZINC000004595606	209423786	/nfs/dbraw/zinc/42/37/86/209423786.db2.gz	NRHCARAEOBUXMC-FYJGNVAPSA-N	0	0	365.397	3.332	40	30		FGEBRN
O=c1c2cn[nH]c2[nH]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000102986206	209245355	/nfs/dbraw/zinc/24/53/55/209245355.db2.gz	GHXSOKVBPRVLBQ-OVEPSTSESA-N	0	0	374.360	3.144	40	30		FGEBRN
C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC	ZINC000223544797	209206691	/nfs/dbraw/zinc/20/66/91/209206691.db2.gz	NHHWLTSVKQIEFS-NRFANRHFSA-N	0	0	366.461	3.477	40	30		FGEBRN
CC(=O)NC1=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O	ZINC000001717347	206894007	/nfs/dbraw/zinc/89/40/07/206894007.db2.gz	UXODDFOOGHULIP-UHFFFAOYSA-N	0	0	368.370	3.114	40	30		FGEBRN
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1)n1[nH]c(=O)cc1N	ZINC000004538956	207027049	/nfs/dbraw/zinc/02/70/49/207027049.db2.gz	KDYAKARYKLSQMC-FZKQIMNGSA-N	0	0	361.430	3.359	40	30		FGEBRN
CC1=CC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000004837630	207052249	/nfs/dbraw/zinc/05/22/49/207052249.db2.gz	QLAPPSIXOBEVQR-JEMRPNOGSA-N	0	0	366.373	3.465	40	30		FGEBRN
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	ZINC000005575160	207106236	/nfs/dbraw/zinc/10/62/36/207106236.db2.gz	SZAHIEIJJDKFRX-SZZUBXOXSA-N	0	0	374.477	3.156	40	30		FGEBRN
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	ZINC000005575164	207106934	/nfs/dbraw/zinc/10/69/34/207106934.db2.gz	SZAHIEIJJDKFRX-WEZRLVATSA-N	0	0	374.477	3.156	40	30		FGEBRN
O=c1c(Cl)c(NN=Cc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1	ZINC000005776098	207116729	/nfs/dbraw/zinc/11/67/29/207116729.db2.gz	WLDHLURAAFIUGU-VXLYETTFSA-N	0	0	369.768	3.240	40	30		FGEBRN
Nc1nnnn1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21	ZINC000006476642	207141626	/nfs/dbraw/zinc/14/16/26/207141626.db2.gz	QBNCHSOCBBSLLX-SSDVNMTOSA-N	0	0	362.368	3.009	40	30		FGEBRN
COCc1cc(C)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c1C#N	ZINC000005986587	263344050	/nfs/dbraw/zinc/34/40/50/263344050.db2.gz	QBWHLINAVONXMZ-UHFFFAOYSA-N	0	0	372.406	3.047	40	30		FGEBRN
COCc1cc(C)nc(Sc2ccc([N+](=O)[O-])c3nonc32)c1C#N	ZINC000408605926	263479912	/nfs/dbraw/zinc/47/99/12/263479912.db2.gz	NNYRYXAIGDOSOA-UHFFFAOYSA-N	0	0	357.351	3.004	40	30		FGEBRN
COc1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1	ZINC000004127414	493866572	/nfs/dbraw/zinc/86/65/72/493866572.db2.gz	NIQNGEJIBOTJBP-LNKGRISISA-N	0	0	362.389	3.204	40	30		FGEBRN
COc1cc(C=NNc2ccccc2)cc(I)c1O	ZINC000058625242	493871387	/nfs/dbraw/zinc/87/13/87/493871387.db2.gz	ALZXJJMFXJHPAP-CXUHLZMHSA-N	0	0	368.174	3.451	40	30		FGEBRN
C=CCOc1ccccc1NC(=O)[C@@]1(C)CC(=O)N=C2C=C(C)C=CN21	ZINC000013996153	494299251	/nfs/dbraw/zinc/29/92/51/494299251.db2.gz	OQAQCMICVZSWKG-HXUWFJFHSA-N	0	0	351.406	3.053	40	30		FGEBRN
COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)c1	ZINC000014608168	494321995	/nfs/dbraw/zinc/32/19/95/494321995.db2.gz	JTOZMTOMMYRAJF-DJJJIMSYSA-N	0	0	362.389	3.295	40	30		FGEBRN
CO/N=C(\C(=S)Oc1nc2ccccc2s1)c1csc(N)n1	ZINC000016696712	494399641	/nfs/dbraw/zinc/39/96/41/494399641.db2.gz	WRTVTCFELAEIEQ-YVLHZVERSA-N	0	0	350.450	3.092	40	30		FGEBRN
O=[N+]([O-])c1cccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)c1	ZINC000016922623	494404104	/nfs/dbraw/zinc/40/41/04/494404104.db2.gz	HTPRRTBUJOHTEA-YBFXNURJSA-N	0	0	358.467	3.362	40	30		FGEBRN
COC(=O)C12c3ccccc3C(c3ccccc31)C1=C2/C(=N/O)C=C/C1=N/O	ZINC000016979292	494405000	/nfs/dbraw/zinc/40/50/00/494405000.db2.gz	COGVHCBSLOMBFL-JVBWRSBESA-N	0	0	372.380	3.131	40	30		FGEBRN
O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12	ZINC000019959886	494465555	/nfs/dbraw/zinc/46/55/55/494465555.db2.gz	FBSXJLNPHRQVAO-ADLMAVQZSA-N	0	0	350.353	3.426	40	30		FGEBRN
N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1	ZINC000020637778	494479709	/nfs/dbraw/zinc/47/97/09/494479709.db2.gz	KJGIRTLXAVRGJP-WFASDCNBSA-N	0	0	367.206	3.480	40	30		FGEBRN
CC(C)N1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	ZINC000108150392	494653708	/nfs/dbraw/zinc/65/37/08/494653708.db2.gz	NBCMHRLOCSDVGJ-KNTRCKAVSA-N	0	0	369.337	3.074	40	30		FGEBRN
CCOC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218093491	497000617	/nfs/dbraw/zinc/00/06/17/497000617.db2.gz	OSDRMGRTSKWCQG-HSALFYBXSA-N	0	0	371.458	3.181	40	30		FGEBRN
C/C=C\[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1C(=O)[C@H](CO)N(C)C1=O	ZINC000299888617	497928398	/nfs/dbraw/zinc/92/83/98/497928398.db2.gz	QNQBPPQLRODXET-PZNXYFFKSA-N	0	0	373.493	3.021	40	30		FGEBRN
CC[C@H](C)n1ncc(NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1C	ZINC000330144454	498038585	/nfs/dbraw/zinc/03/85/85/498038585.db2.gz	ZOKJAXROXKHHDB-GOEBONIOSA-N	0	0	371.489	3.256	40	30		FGEBRN
Cc1ccc(CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)s1	ZINC000328988242	499007205	/nfs/dbraw/zinc/00/72/05/499007205.db2.gz	CHJZHIIYAUNXSV-DNVCBOLYSA-N	0	0	372.494	3.184	40	30		FGEBRN
CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(c2ccc(Cl)cc2)C1	ZINC000408564289	499592268	/nfs/dbraw/zinc/59/22/68/499592268.db2.gz	XYGBUVLKDSYJNG-LJQANCHMSA-N	0	0	369.808	3.044	40	30		FGEBRN
C#CCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OCC	ZINC000408821287	499595208	/nfs/dbraw/zinc/59/52/08/499595208.db2.gz	FQSRGJALSSOURF-WQLSENKSSA-N	0	0	353.852	3.240	40	30		FGEBRN
COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1C	ZINC000408924828	499595572	/nfs/dbraw/zinc/59/55/72/499595572.db2.gz	ORQUVZWVPIJCBE-AWQFTUOYSA-N	0	0	363.870	3.403	40	30		FGEBRN
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)S2)c1	ZINC000409016131	499595650	/nfs/dbraw/zinc/59/56/50/499595650.db2.gz	SKGXCYWEPITYIT-VBKFSLOCSA-N	0	0	369.446	3.316	40	30		FGEBRN
Cc1ccc(N2C[C@]3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)cc1	ZINC000585101599	507568658	/nfs/dbraw/zinc/56/86/58/507568658.db2.gz	YXOCUVSDJPZXMG-HXUWFJFHSA-N	0	0	351.450	3.034	40	30		FGEBRN
C=CCN(Cc1ccc(C(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1	ZINC000224467465	518778929	/nfs/dbraw/zinc/77/89/29/518778929.db2.gz	MFVIPEGGTINBIR-UHFFFAOYSA-N	0	0	372.490	3.202	40	30		FGEBRN
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225022050	518814156	/nfs/dbraw/zinc/81/41/56/518814156.db2.gz	FWUWAPINHPRYMQ-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225037720	518817549	/nfs/dbraw/zinc/81/75/49/518817549.db2.gz	VJZGJZXAIPRVIC-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CCN(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225079965	518821276	/nfs/dbraw/zinc/82/12/76/518821276.db2.gz	XVSXKYPOWQMCEF-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
C=CCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000224303272	518934822	/nfs/dbraw/zinc/93/48/22/518934822.db2.gz	VISIZGHHGADOSY-UHFFFAOYSA-N	0	0	358.463	3.044	40	30		FGEBRN
CC(=O)N1CCN(c2c3nc(N=NC(C)C)sc3ccc2Cl)CC1	ZINC000057327935	535371930	/nfs/dbraw/zinc/37/19/30/535371930.db2.gz	UIAOGMXMHZHZGO-UHFFFAOYSA-N	0	0	365.890	3.426	40	30		FGEBRN
O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc[nH]1)C1c3ccccc3C2c2ccccc21	ZINC000409086337	570721713	/nfs/dbraw/zinc/72/17/13/570721713.db2.gz	ZCGNANLCEDZFAV-VYFZGASISA-N	0	0	367.408	3.241	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O	ZINC000409124327	570729431	/nfs/dbraw/zinc/72/94/31/570729431.db2.gz	BKQDBYNJJVMJCL-UKTHLTGXSA-N	0	0	365.227	3.315	40	30		FGEBRN
C=CCN(CC=C)C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1	ZINC000409129531	570730260	/nfs/dbraw/zinc/73/02/60/570730260.db2.gz	GYWRIOIWOQFONT-UHFFFAOYSA-N	0	0	370.434	3.156	40	30		FGEBRN
Cc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)ccc(N2CCCC2)c1C	ZINC000409357051	570753288	/nfs/dbraw/zinc/75/32/88/570753288.db2.gz	IIKLBQLXAQZWBB-UHFFFAOYSA-N	0	0	362.433	3.201	40	30		FGEBRN
CC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C#N)c1C	ZINC000409062381	571319472	/nfs/dbraw/zinc/31/94/72/571319472.db2.gz	SSYVHYYIQPGHFH-UHFFFAOYSA-N	0	0	359.363	3.057	40	30		FGEBRN
CC1=CC(=O)/C(=C\NC(=S)Nc2cc(Cl)ccc2Cl)C(=O)O1	ZINC000104305302	209260696	/nfs/dbraw/zinc/26/06/96/209260696.db2.gz	HVBDOSGURLLIDF-RMKNXTFCSA-N	0	0	357.218	3.193	40	30		FGEBRN
CCNc1nc(N=NC(C)c2ccc3ccccc3c2O)nc(NCC)n1	ZINC000102420004	209236317	/nfs/dbraw/zinc/23/63/17/209236317.db2.gz	UIGLYIXYXVEDSH-BRJLIKDPSA-N	0	0	365.441	3.430	40	30		FGEBRN
CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	ZINC000100975309	209220401	/nfs/dbraw/zinc/22/04/01/209220401.db2.gz	RZYJCRFKVFEFSY-ZDBRSUKYSA-N	0	0	360.460	3.068	40	30		FGEBRN
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000019088020	220235970	/nfs/dbraw/zinc/23/59/70/220235970.db2.gz	FRQHKTUZOLVJJE-SFHVURJKSA-N	0	0	350.374	3.288	40	30		FGEBRN
C[C@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	ZINC000000900591	206844276	/nfs/dbraw/zinc/84/42/76/206844276.db2.gz	HCYXJDLNWMBUHZ-WRWORJQWSA-N	0	0	366.759	3.066	40	30		FGEBRN
CCOC(=O)Nc1ccc2c(c1)C(=NNC(=S)NC)c1ccccc1-2	ZINC000005080654	207078362	/nfs/dbraw/zinc/07/83/62/207078362.db2.gz	SKBPEKGVHJOCDR-PGMHBOJBSA-N	0	0	354.435	3.082	40	30		FGEBRN
N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3	ZINC000035289276	207115482	/nfs/dbraw/zinc/11/54/82/207115482.db2.gz	GPWSCCWQKWCSOC-UHFFFAOYSA-N	0	0	370.415	3.022	40	30		FGEBRN
Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4ccco4)CC3)nc2c1	ZINC000035314096	207131355	/nfs/dbraw/zinc/13/13/55/207131355.db2.gz	WFIFUYBBMLRCQY-UHFFFAOYSA-N	0	0	360.417	3.360	40	30		FGEBRN
COc1cccc(NC(=S)N/N=C(\C)c2ccc3c(c2)OCCO3)c1	ZINC000007988000	207214795	/nfs/dbraw/zinc/21/47/95/207214795.db2.gz	FKBLQEBEHMRPTK-UDWIEESQSA-N	0	0	357.435	3.177	40	30		FGEBRN
Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	ZINC000012462444	207380774	/nfs/dbraw/zinc/38/07/74/207380774.db2.gz	VWYBRGFEAOJPEF-YBEGLDIGSA-N	0	0	351.362	3.314	40	30		FGEBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1	ZINC000031623579	208014485	/nfs/dbraw/zinc/01/44/85/208014485.db2.gz	RQUCMIANFRTAJB-PXNMLYILSA-N	0	0	374.205	3.214	40	30		FGEBRN
O=C(N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)C(F)(F)F	ZINC000007388410	263350583	/nfs/dbraw/zinc/35/05/83/263350583.db2.gz	WWGVKQHVWYCVCL-UHFFFAOYSA-N	0	0	364.648	3.107	40	30		FGEBRN
COc1ccccc1CN/N=C/c1cccc(I)c1	ZINC000020761931	263382965	/nfs/dbraw/zinc/38/29/65/263382965.db2.gz	UPEWZQJCIRCPAF-LICLKQGHSA-N	0	0	366.202	3.424	40	30		FGEBRN
C#CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br	ZINC000408813139	263497338	/nfs/dbraw/zinc/49/73/38/263497338.db2.gz	OGTLIVAXSZJRJB-WQLSENKSSA-N	0	0	352.209	3.127	40	30		FGEBRN
C=CCOc1c(Br)cc(C=O)cc1I	ZINC000408854093	263502111	/nfs/dbraw/zinc/50/21/11/263502111.db2.gz	XJNIYAXRLWCDRJ-UHFFFAOYSA-N	0	0	366.980	3.431	40	30		FGEBRN
COc1cc(C=NN2C(=O)CSC2=S)ccc1OCc1ccccc1	ZINC000001726786	493797762	/nfs/dbraw/zinc/79/77/62/493797762.db2.gz	WVGGHFIHAJSXFZ-VXLYETTFSA-N	0	0	372.471	3.468	40	30		FGEBRN
CCCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871837	493859319	/nfs/dbraw/zinc/85/93/19/493859319.db2.gz	PGGUOGKHUUUWAF-QZTJIDSGSA-N	0	0	362.470	3.201	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1	ZINC000007601820	494029833	/nfs/dbraw/zinc/02/98/33/494029833.db2.gz	PBOJDPHWFCARNF-UHFFFAOYSA-N	0	0	369.400	3.198	40	30		FGEBRN
Cc1sc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c(C#N)c1C	ZINC000008332612	494085052	/nfs/dbraw/zinc/08/50/52/494085052.db2.gz	CBHFWEQXCLNVEX-UHFFFAOYSA-N	0	0	357.366	3.043	40	30		FGEBRN
C=CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1	ZINC000010326419	494150407	/nfs/dbraw/zinc/15/04/07/494150407.db2.gz	BAWAPPAWRSYTMF-HNNXBMFYSA-N	0	0	370.474	3.051	40	30		FGEBRN
C=CCOc1ccccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1	ZINC000012147432	494209630	/nfs/dbraw/zinc/20/96/30/494209630.db2.gz	ONPAJOWNENLDNB-UHFFFAOYSA-N	0	0	351.410	3.244	40	30		FGEBRN
NC(=S)N/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	ZINC000017211441	494410495	/nfs/dbraw/zinc/41/04/95/494410495.db2.gz	KQKQPRIUCLJKSG-NPQOUYBPSA-N	0	0	359.838	3.179	40	30		FGEBRN
CC(=NNc1nnc(SCC#N)[nH]1)c1ccc(Br)cc1	ZINC000020608321	494477700	/nfs/dbraw/zinc/47/77/00/494477700.db2.gz	ZBDYXLMTNDLGNB-LZYBPNLTSA-N	0	0	351.233	3.019	40	30		FGEBRN
Cc1cc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)no1	ZINC000021514791	494498274	/nfs/dbraw/zinc/49/82/74/494498274.db2.gz	FJCNDNNYHNLBOV-UHFFFAOYSA-N	0	0	356.329	3.308	40	30		FGEBRN
CCNC(=S)N/N=C/c1cccn1-c1cccc(Br)c1	ZINC000106373866	495450036	/nfs/dbraw/zinc/45/00/36/495450036.db2.gz	CXRXDOOXSUVSJB-LICLKQGHSA-N	0	0	351.273	3.058	40	30		FGEBRN
COc1ccccc1/C=N/NC1=NC(=O)/C(=C\c2ccccc2OC)S1	ZINC000222416635	497022857	/nfs/dbraw/zinc/02/28/57/497022857.db2.gz	LBEXSKGEDKVYHD-WYRLOYKNSA-N	0	0	367.430	3.298	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000225659780	497070516	/nfs/dbraw/zinc/07/05/16/497070516.db2.gz	GLBVMFYOFSNHPH-FGTMMUONSA-N	0	0	359.834	3.297	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	ZINC000242688416	497355815	/nfs/dbraw/zinc/35/58/15/497355815.db2.gz	VPNHDICAGDPECL-RCCFBDPRSA-N	0	0	359.834	3.297	40	30		FGEBRN
Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@]2(C)CCCc3ccccc32)C1	ZINC000329326066	499099628	/nfs/dbraw/zinc/09/96/28/499099628.db2.gz	UABVGGITMZQSOC-UTKZUKDTSA-N	0	0	352.482	3.418	40	30		FGEBRN
O=C(COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)N1CCCC1	ZINC000408576605	499592543	/nfs/dbraw/zinc/59/25/43/499592543.db2.gz	XGZCAEIYRNTESP-UHFFFAOYSA-N	0	0	361.397	3.150	40	30		FGEBRN
CCn1c2ccccc2[nH]c1=NN=Cc1cc([N+](=O)[O-])c(OC)cc1OC	ZINC000408692677	499593822	/nfs/dbraw/zinc/59/38/22/499593822.db2.gz	RZWLJTZOBYOSMO-YBFXNURJSA-N	0	0	369.381	3.428	40	30		FGEBRN
CCOc1ccc(Cl)cc1/C=N/NS(=O)(=O)c1ccc(C)cc1	ZINC000408816811	499595065	/nfs/dbraw/zinc/59/50/65/499595065.db2.gz	WRPFVJKMQUPQAW-WOJGMQOQSA-N	0	0	352.843	3.360	40	30		FGEBRN
N#CCOc1ccccc1/C=C1\SC(Nc2ccccc2F)NC1=O	ZINC000408814152	499595069	/nfs/dbraw/zinc/59/50/69/499595069.db2.gz	NYKZDJDOBIAINK-UHFFFAOYSA-N	0	0	354.386	3.491	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O	ZINC000408916915	499595093	/nfs/dbraw/zinc/59/50/93/499595093.db2.gz	IPRPFVUQEYCTHF-UKTHLTGXSA-N	0	0	351.811	3.417	40	30		FGEBRN
COc1ccccc1/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	ZINC000408801410	499595316	/nfs/dbraw/zinc/59/53/16/499595316.db2.gz	SWAYIEHQZYWYHN-QLTNSANVSA-N	0	0	368.433	3.120	40	30		FGEBRN
COc1cc(N2CCCC2)c(OC)cc1CN=Nc1ncccc1[N+](=O)[O-]	ZINC000409101282	499595872	/nfs/dbraw/zinc/59/58/72/499595872.db2.gz	AXGMAVIHNPYFIT-UDWIEESQSA-N	0	0	371.397	3.053	40	30		FGEBRN
C=C(C)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O	ZINC000004997941	518638513	/nfs/dbraw/zinc/63/85/13/518638513.db2.gz	YLMMWOMRKKHJRF-UHFFFAOYSA-N	0	0	357.479	3.077	40	30		FGEBRN
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224769978	518812193	/nfs/dbraw/zinc/81/21/93/518812193.db2.gz	HHJPFZHQKANLHL-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC	ZINC000223192654	518916492	/nfs/dbraw/zinc/91/64/92/518916492.db2.gz	SIRCRQAKKXYMIA-HXUWFJFHSA-N	0	0	368.452	3.478	40	30		FGEBRN
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1	ZINC000006238831	523286157	/nfs/dbraw/zinc/28/61/57/523286157.db2.gz	BLSPSBGQDIYUPG-GOSISDBHSA-N	0	0	369.392	3.441	40	30		FGEBRN
COc1ccc(C(=O)Cc2nc3ccc(Cl)cc3[nH]c2=O)cc1OC	ZINC000016227178	523545110	/nfs/dbraw/zinc/54/51/10/523545110.db2.gz	RBOYIHXJXQRCDT-ZROIWOOFSA-N	0	0	358.781	3.488	40	30		FGEBRN
O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000016973214	527636900	/nfs/dbraw/zinc/63/69/00/527636900.db2.gz	LDZOZIDZFFKDDX-WGDLNXRISA-N	0	0	352.302	3.368	40	30		FGEBRN
O=C1CSC(=N/N=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)N1	ZINC000408973219	570705471	/nfs/dbraw/zinc/70/54/71/570705471.db2.gz	KNUURICYZUHIBG-OMCISZLKSA-N	0	0	364.770	3.061	40	30		FGEBRN
Cc1ccc(-n2cccc2C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1C	ZINC000409340652	570751286	/nfs/dbraw/zinc/75/12/86/570751286.db2.gz	ALYLFFLPOXNFRH-UHFFFAOYSA-N	0	0	358.401	3.392	40	30		FGEBRN
C#CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC	ZINC000409374969	570754450	/nfs/dbraw/zinc/75/44/50/570754450.db2.gz	CJYFMDBCZJYPMV-MTJSOVHGSA-N	0	0	372.808	3.350	40	30		FGEBRN
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000002631834	209396348	/nfs/dbraw/zinc/39/63/48/209396348.db2.gz	QRDFVQXNDYPXQJ-RQZCQDPDSA-N	0	0	367.814	3.177	40	30		FGEBRN
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	ZINC000118934731	209350395	/nfs/dbraw/zinc/35/03/95/209350395.db2.gz	PSRYHQQVKMOFNA-RNUIGHNZSA-N	0	0	356.462	3.039	40	30		FGEBRN
N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1cccc(F)c1)O3	ZINC000102706366	209239893	/nfs/dbraw/zinc/23/98/93/209239893.db2.gz	QOXYKXOQFVXHFB-VVWQDTPRSA-N	0	0	350.353	3.335	40	30		FGEBRN
CC(=O)N(c1ccc([N+](=O)[O-])cc1)C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000004983049	207069835	/nfs/dbraw/zinc/06/98/35/207069835.db2.gz	LFWRPQXOJCGZBE-UHFFFAOYSA-N	0	0	370.748	3.477	40	30		FGEBRN
O=C(NO)c1sc(C(=O)NO)c(-c2ccccc2)c1-c1ccccc1	ZINC000005260279	207089928	/nfs/dbraw/zinc/08/99/28/207089928.db2.gz	NYNOIJLNUJVSOX-UHFFFAOYSA-N	0	0	354.387	3.320	40	30		FGEBRN
COC(=S)N=C(NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1	ZINC000016309081	209019048	/nfs/dbraw/zinc/01/90/48/209019048.db2.gz	FEMDWNXXWQJPTP-UHFFFAOYSA-N	0	0	362.476	3.105	40	30		FGEBRN
N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1	ZINC000225870366	132287000	/nfs/dbraw/zinc/28/70/00/132287000.db2.gz	ZNVCOPGNEPBZJU-UHFFFAOYSA-N	0	0	357.461	3.317	40	30		FGEBRN
COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCC#N	ZINC000409031439	263517784	/nfs/dbraw/zinc/51/77/84/263517784.db2.gz	GSOLQDPTFDDGQH-QPJQQBGISA-N	0	0	373.228	3.311	40	30		FGEBRN
N#Cc1nc(CC(=O)c2ccccc2)c(CC(=O)c2ccccc2)nc1C#N	ZINC000001588971	493796723	/nfs/dbraw/zinc/79/67/23/493796723.db2.gz	MGXTZENGXJVWNL-UHFFFAOYSA-N	0	0	366.380	3.071	40	30		FGEBRN
O[C@H](CON=C1c2ccccc2-c2ccccc21)Cn1nnc2ccccc21	ZINC000002700752	493816430	/nfs/dbraw/zinc/81/64/30/493816430.db2.gz	GMZXDPSVHHMQOB-HNNXBMFYSA-N	0	0	370.412	3.242	40	30		FGEBRN
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000005408718	493928903	/nfs/dbraw/zinc/92/89/03/493928903.db2.gz	WGMMVCXQMXKIEI-QGZVFWFLSA-N	0	0	371.364	3.051	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC)c2C)c1C	ZINC000006711496	493975232	/nfs/dbraw/zinc/97/52/32/493975232.db2.gz	ZENJXRBVWGTLHD-SRZZPIQSSA-N	0	0	372.494	3.007	40	30		FGEBRN
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=S)NC)o2)ccc1Cl	ZINC000006956152	493990176	/nfs/dbraw/zinc/99/01/76/493990176.db2.gz	UQMUVTOAVSXWON-DJKKODMXSA-N	0	0	365.842	3.205	40	30		FGEBRN
Cc1ccc(NC(=S)N/N=C/c2ccc(N(C)CCO)cc2)c(C)c1	ZINC000007008123	493994241	/nfs/dbraw/zinc/99/42/41/493994241.db2.gz	FHXDXTCHWBHRJJ-DEDYPNTBSA-N	0	0	356.495	3.052	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000007008412	493994274	/nfs/dbraw/zinc/99/42/74/493994274.db2.gz	RBIMAWGXUSGQTB-CAOOACKPSA-N	0	0	352.803	3.326	40	30		FGEBRN
C=CCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21	ZINC000012204307	494213549	/nfs/dbraw/zinc/21/35/49/494213549.db2.gz	NYZGPXNBRDSUHK-UHFFFAOYSA-N	0	0	358.781	3.451	40	30		FGEBRN
C=CCn1c2cc(OC)c(OC)cc2c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000013634641	494291733	/nfs/dbraw/zinc/29/17/33/494291733.db2.gz	OOWYFADDZSUFOS-UHFFFAOYSA-N	0	0	372.808	3.009	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1	ZINC000020457602	494473061	/nfs/dbraw/zinc/47/30/61/494473061.db2.gz	PYBZJXFNRSLJDF-CQSZACIVSA-N	0	0	354.406	3.017	40	30		FGEBRN
CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000022608348	494528796	/nfs/dbraw/zinc/52/87/96/494528796.db2.gz	VMHGWOCXOVNUIS-BJOHPYRUSA-N	0	0	371.422	3.176	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2cccc(CN3CCOCC3)c2)c1	ZINC000110660339	494999376	/nfs/dbraw/zinc/99/93/76/494999376.db2.gz	LKBAUKFLKHDYHD-UHFFFAOYSA-N	0	0	352.434	3.336	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)CO)cc1	ZINC000218364071	497002135	/nfs/dbraw/zinc/00/21/35/497002135.db2.gz	QPBVBOSGUGRZNH-KSZLIROESA-N	0	0	361.850	3.090	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225010519	497055419	/nfs/dbraw/zinc/05/54/19/497055419.db2.gz	AJPRLILSFGCHBO-UHFFFAOYSA-N	0	0	354.334	3.254	40	30		FGEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@H]2C)c1	ZINC000225859144	497077346	/nfs/dbraw/zinc/07/73/46/497077346.db2.gz	SUHWAXCTAFHHTR-MRXNPFEDSA-N	0	0	350.466	3.242	40	30		FGEBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1	ZINC000252514340	497309323	/nfs/dbraw/zinc/30/93/23/497309323.db2.gz	CLMHGDADCKOMCX-AQNXPRMDSA-N	0	0	353.443	3.206	40	30		FGEBRN
C[C@]12C[C@H](O)[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1	ZINC000253629645	497346467	/nfs/dbraw/zinc/34/64/67/497346467.db2.gz	RJTDWMKVQUPGSY-SFJDDKPZSA-N	0	0	356.462	3.341	40	30		FGEBRN
C[C@@]12C[C@H](O)[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1	ZINC000253629647	497346552	/nfs/dbraw/zinc/34/65/52/497346552.db2.gz	RJTDWMKVQUPGSY-XLJOKAOBSA-N	0	0	356.462	3.341	40	30		FGEBRN
COc1cc(C=NN2C(=S)N=NC2C2CCCCC2)ccc1OC(C)=O	ZINC000245241832	497377504	/nfs/dbraw/zinc/37/75/04/497377504.db2.gz	QNLDZPSAJWBOTF-UHFFFAOYSA-N	0	0	374.466	3.431	40	30		FGEBRN
Cc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c(C)c1	ZINC000256048033	497382932	/nfs/dbraw/zinc/38/29/32/497382932.db2.gz	QGCDLRKTIFYVSC-UHFFFAOYSA-N	0	0	372.476	3.078	40	30		FGEBRN
C=CCn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1ccccc1O	ZINC000408602578	499592687	/nfs/dbraw/zinc/59/26/87/499592687.db2.gz	CSRDVFRYWYNJJJ-UHFFFAOYSA-N	0	0	355.379	3.291	40	30		FGEBRN
O=C(Cn1cc(/C=N\c2ccccc2F)c2ccccc21)N1CCOCC1	ZINC000408962071	499595563	/nfs/dbraw/zinc/59/55/63/499595563.db2.gz	PNKGOSMMFVDWHI-QRVIBDJDSA-N	0	0	365.408	3.390	40	30		FGEBRN
C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12	ZINC000001326056	518766088	/nfs/dbraw/zinc/76/60/88/518766088.db2.gz	XKZKLBJRDSPLEL-LBPRGKRZSA-N	0	0	353.451	3.187	40	30		FGEBRN
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225099052	518816816	/nfs/dbraw/zinc/81/68/16/518816816.db2.gz	RLUYPSWLKZJJKQ-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OCC)cc1	ZINC000224598634	518817026	/nfs/dbraw/zinc/81/70/26/518817026.db2.gz	WRRPVGNBFYWFNE-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
C=CC[C@@H]1C(=O)C=C(OC)[C@]2(OC)[C@H](C)[C@H](c3ccc4c(c3)OCO4)O[C@H]12	ZINC000257397881	519106907	/nfs/dbraw/zinc/10/69/07/519106907.db2.gz	COELSLLVNMRXHB-YQWAYGIMSA-N	0	0	372.417	3.182	40	30		FGEBRN
CCCCc1ccc(C(C)N=Nc2cc(N3CCOCC3)ncn2)cc1	ZINC000004480155	521267106	/nfs/dbraw/zinc/26/71/06/521267106.db2.gz	KLIVDTMZKJAWMD-XQNSMLJCSA-N	0	0	353.470	3.492	40	30		FGEBRN
CC[C@H](O/N=C(\C)c1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1	ZINC000014397979	522828417	/nfs/dbraw/zinc/82/84/17/522828417.db2.gz	FPHRZNMPIYWFCT-GKXUUXLPSA-N	0	0	358.398	3.099	40	30		FGEBRN
COc1ccc(/C(C)=N/NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1	ZINC000005164035	523361436	/nfs/dbraw/zinc/36/14/36/523361436.db2.gz	SALGTHQPXPSVPS-XMHGGMMESA-N	0	0	362.451	3.023	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000004092037	526823821	/nfs/dbraw/zinc/82/38/21/526823821.db2.gz	WHBCRYGEYLKMGQ-GOSISDBHSA-N	0	0	360.369	3.453	40	30		FGEBRN
COc1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cn1	ZINC000408853346	570692494	/nfs/dbraw/zinc/69/24/94/570692494.db2.gz	NXIHBWTZVBESCL-YVLHZVERSA-N	0	0	366.215	3.033	40	30		FGEBRN
CC/N=C1/S/C(=C/c2c(OC)cc(OC)cc2OC)C(=O)N1CC	ZINC000408931822	570699864	/nfs/dbraw/zinc/69/98/64/570699864.db2.gz	QSBWXRIBBZRMJD-JQJQOIMSSA-N	0	0	350.440	3.025	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)N1CCOCC1	ZINC000409236778	570743175	/nfs/dbraw/zinc/74/31/75/570743175.db2.gz	HEXCQMZNSGPZCD-BKUYFWCQSA-N	0	0	358.825	3.328	40	30		FGEBRN
CCOC(=O)c1sc2nc(C)n(/N=C/c3ccc(F)cc3)c(=O)c2c1C	ZINC000001465415	209390151	/nfs/dbraw/zinc/39/01/51/209390151.db2.gz	LFLYAWMTHQKEAU-AWQFTUOYSA-N	0	0	373.409	3.273	40	30		FGEBRN
CCOc1cc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)ccc1O	ZINC000000873341	209379949	/nfs/dbraw/zinc/37/99/49/209379949.db2.gz	MTMBBEZFVVFERB-DJKKODMXSA-N	0	0	357.435	3.370	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000000794986	209375253	/nfs/dbraw/zinc/37/52/53/209375253.db2.gz	YZOZYNJBZKFQDH-RHSMWYFYSA-N	0	0	353.374	3.037	40	30		FGEBRN
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1	ZINC000223716959	209326081	/nfs/dbraw/zinc/32/60/81/209326081.db2.gz	RQSDLIMOXJXGRT-UHFFFAOYSA-N	0	0	361.463	3.471	40	30		FGEBRN
CC1=CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)O1	ZINC000102954875	209243416	/nfs/dbraw/zinc/24/34/16/209243416.db2.gz	NBWZNCYAORGNBO-GHXNOFRVSA-N	0	0	357.347	3.044	40	30		FGEBRN
COC(=O)C1=C(NC(=O)c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)[C@H]1C	ZINC000098175597	209206448	/nfs/dbraw/zinc/20/64/48/209206448.db2.gz	HJWMFHMVKDGYFC-GFCCVEGCSA-N	0	0	369.417	3.111	40	30		FGEBRN
C=CCNC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1	ZINC000225926474	132249823	/nfs/dbraw/zinc/24/98/23/132249823.db2.gz	FNQOGZPMZCYFJI-UHFFFAOYSA-N	0	0	359.886	3.165	40	30		FGEBRN
C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1	ZINC000010010799	263362979	/nfs/dbraw/zinc/36/29/79/263362979.db2.gz	YHYKTUOQQURZEY-CSKARUKUSA-N	0	0	355.785	3.424	40	30		FGEBRN
CC[C@@H](C)Oc1ccccc1CN=Nc1ncc(F)c(N2CCOCC2)n1	ZINC000408602997	263479636	/nfs/dbraw/zinc/47/96/36/263479636.db2.gz	PNSRZFACPQRMDD-JCRYTKJOSA-N	0	0	373.432	3.076	40	30		FGEBRN
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)cc1	ZINC000004944406	493902414	/nfs/dbraw/zinc/90/24/14/493902414.db2.gz	NJSCOVRXMCKVDM-CQSZACIVSA-N	0	0	371.462	3.311	40	30		FGEBRN
COc1cccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1OC	ZINC000006032893	493949012	/nfs/dbraw/zinc/94/90/12/493949012.db2.gz	LWTOEHYQGJDDHA-ODLFYWEKSA-N	0	0	354.435	3.442	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(O[C@H](C)CC)c(Br)c1	ZINC000006357678	493961311	/nfs/dbraw/zinc/96/13/11/493961311.db2.gz	QKBHVRLJDIAQGA-IYPWXLATSA-N	0	0	358.305	3.444	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000007008389	493994219	/nfs/dbraw/zinc/99/42/19/493994219.db2.gz	IVODAPHARHHBAI-CAOOACKPSA-N	0	0	352.803	3.326	40	30		FGEBRN
C=CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1	ZINC000010326420	494150325	/nfs/dbraw/zinc/15/03/25/494150325.db2.gz	BAWAPPAWRSYTMF-OAHLLOKOSA-N	0	0	370.474	3.051	40	30		FGEBRN
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Cl	ZINC000044847996	494384179	/nfs/dbraw/zinc/38/41/79/494384179.db2.gz	NHVCOFVNDBTWBV-UHFFFAOYSA-N	0	0	363.826	3.030	40	30		FGEBRN
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccc(Cl)cc1	ZINC000016400672	494388273	/nfs/dbraw/zinc/38/82/73/494388273.db2.gz	ZOVHJCXEXDIBDF-AWEZNQCLSA-N	0	0	358.188	3.459	40	30		FGEBRN
O=C(Nc1ccc(C#CC2(NC(=O)C3CC3)CCCCC2)cn1)C1CC1	ZINC000019341848	494442561	/nfs/dbraw/zinc/44/25/61/494442561.db2.gz	UNLVRBWKDJWVOS-UHFFFAOYSA-N	0	0	351.450	3.011	40	30		FGEBRN
O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	ZINC000020496219	494474423	/nfs/dbraw/zinc/47/44/23/494474423.db2.gz	PKWSBKTZLYLJFL-UHFFFAOYSA-N	0	0	355.266	3.189	40	30		FGEBRN
CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000022608310	494529034	/nfs/dbraw/zinc/52/90/34/494529034.db2.gz	GHOHWLMGXIHTGN-APPDUMDISA-N	0	0	369.494	3.334	40	30		FGEBRN
N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1	ZINC000278066194	496992334	/nfs/dbraw/zinc/99/23/34/496992334.db2.gz	ZHUOKIVGSLTWAO-QYZOEREBSA-N	0	0	374.444	3.365	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218361925	497001926	/nfs/dbraw/zinc/00/19/26/497001926.db2.gz	RFLKWMVSTSCAJK-AABGKKOBSA-N	0	0	355.459	3.400	40	30		FGEBRN
C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC	ZINC000223049254	497030879	/nfs/dbraw/zinc/03/08/79/497030879.db2.gz	IGCBEBIYNXJSOF-FQEVSTJZSA-N	0	0	350.462	3.339	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225652666	497070545	/nfs/dbraw/zinc/07/05/45/497070545.db2.gz	DVSCMVJEOFTSTM-FGTMMUONSA-N	0	0	361.850	3.090	40	30		FGEBRN
COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(C#N)CC4)cc32)cc1	ZINC000225992087	497080847	/nfs/dbraw/zinc/08/08/47/497080847.db2.gz	PLCGULIEIQITHV-UHFFFAOYSA-N	0	0	361.401	3.140	40	30		FGEBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1	ZINC000252516543	497309740	/nfs/dbraw/zinc/30/97/40/497309740.db2.gz	TZOXLYWSBQZBJQ-SQNIBIBYSA-N	0	0	360.866	3.063	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@H](C)C(=O)C=C[C@]1(C)O	ZINC000253390399	497330205	/nfs/dbraw/zinc/33/02/05/497330205.db2.gz	BIGBTKXKWUHWLH-JRJQZFNCSA-N	0	0	350.455	3.012	40	30	biogenic,in-vitro	FGEBRN
N#Cc1ccc(O[C@@H]2Cn3cccc3CN(C(=O)C3=CCCCC3)C2)nc1	ZINC000306127086	498738095	/nfs/dbraw/zinc/73/80/95/498738095.db2.gz	FOEXVXVNFMYXBT-LJQANCHMSA-N	0	0	362.433	3.045	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(OCC(C)C)c(Br)c1	ZINC000408600572	499592728	/nfs/dbraw/zinc/59/27/28/499592728.db2.gz	DNZUUEREECKERE-CAOOACKPSA-N	0	0	358.305	3.302	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1	ZINC000408705266	499594003	/nfs/dbraw/zinc/59/40/03/499594003.db2.gz	ASUCJIIBTXJONW-LJQANCHMSA-N	0	0	368.433	3.407	40	30		FGEBRN
CC/N=C1\S/C(=C\c2cn(CC(=O)OC)c3ccccc23)C(=O)N1CC	ZINC000408784300	499594958	/nfs/dbraw/zinc/59/49/58/499594958.db2.gz	AQGYIIFOXNOXHV-SMFDUERQSA-N	0	0	371.462	3.126	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225035717	518812091	/nfs/dbraw/zinc/81/20/91/518812091.db2.gz	AIYKKVGCKBVXSW-UHFFFAOYSA-N	0	0	354.334	3.254	40	30		FGEBRN
C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1	ZINC000004967592	518925849	/nfs/dbraw/zinc/92/58/49/518925849.db2.gz	VZPNAHLCXMLOCU-IBGZPJMESA-N	0	0	362.433	3.203	40	30		FGEBRN
C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnn(CC)c1	ZINC000036631399	519233237	/nfs/dbraw/zinc/23/32/37/519233237.db2.gz	FANCLQRNUGNLPT-UHFFFAOYSA-N	0	0	353.451	3.323	40	30		FGEBRN
COc1ccc(CN/N=C/c2cc(Cl)c(OC)c(OC)c2)cc1OC	ZINC000020196428	524018139	/nfs/dbraw/zinc/01/81/39/524018139.db2.gz	PXTWJOUNPYEFLC-SRZZPIQSSA-N	0	0	364.829	3.498	40	30		FGEBRN
C=CCOc1ccc(C=NN2C(=S)N=NC2C)cc1Br	ZINC000408855868	570693276	/nfs/dbraw/zinc/69/32/76/570693276.db2.gz	GDHBTANINQIBLE-OVCLIPMQSA-N	0	0	353.245	3.085	40	30		FGEBRN
N#Cc1ccccc1CN1C[C@@]2(CCN(CC3CC3)C2=O)CC(F)(F)C1	ZINC000585093236	571123946	/nfs/dbraw/zinc/12/39/46/571123946.db2.gz	KKYLMZXPVRFHRZ-LJQANCHMSA-N	0	0	359.420	3.028	40	30		FGEBRN
CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218332957	571172841	/nfs/dbraw/zinc/17/28/41/571172841.db2.gz	FZWCZLYJFXVTEJ-WSTZPKSXSA-N	0	0	369.442	3.008	40	30		FGEBRN
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=C2\SC(=N)NC2=O)c1	ZINC000408888483	571319477	/nfs/dbraw/zinc/31/94/77/571319477.db2.gz	VWPCHCKVVQWUFX-CHHVJCJISA-N	0	0	366.358	3.397	40	30		FGEBRN
N#Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1	ZINC000409178133	571319512	/nfs/dbraw/zinc/31/95/12/571319512.db2.gz	FBRSQOBKGGVHER-UHFFFAOYSA-N	0	0	374.352	3.426	40	30		FGEBRN
CC(C)Nc1nc2c(c(NC3CC3)n1)CN(Cc1cccc(C#N)c1)CC2	ZINC000096254161	209145498	/nfs/dbraw/zinc/14/54/98/209145498.db2.gz	MBLWLCABOJFSQL-UHFFFAOYSA-N	0	0	362.481	3.301	40	30		FGEBRN
CC(=O)Nc1ccc(C=NNC(=S)Nc2ccc3c[nH]nc3c2)cc1	ZINC000005423726	207099339	/nfs/dbraw/zinc/09/93/39/207099339.db2.gz	XSWHQLZAZLANGS-GIJQJNRQSA-N	0	0	352.423	3.062	40	30		FGEBRN
COc1ccc2nc(NCCCNC(=O)c3ccccc3)c(C#N)cc2c1	ZINC000035313919	207131194	/nfs/dbraw/zinc/13/11/94/207131194.db2.gz	STMOCDRHMREBNM-UHFFFAOYSA-N	0	0	360.417	3.347	40	30		FGEBRN
O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12	ZINC000019959894	207721334	/nfs/dbraw/zinc/72/13/34/207721334.db2.gz	FBSXJLNPHRQVAO-BBATYDOGSA-N	0	0	350.353	3.426	40	30		FGEBRN
C=CCOc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1	ZINC000030523720	263391042	/nfs/dbraw/zinc/39/10/42/263391042.db2.gz	SSRWMZWCFYHQGV-UHFFFAOYSA-N	0	0	366.461	3.014	40	30		FGEBRN
C#CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC	ZINC000408930802	263507550	/nfs/dbraw/zinc/50/75/50/263507550.db2.gz	CGCBNQOLNMJKAS-CJLVFECKSA-N	0	0	350.418	3.294	40	30		FGEBRN
C#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC	ZINC000409035967	263518883	/nfs/dbraw/zinc/51/88/83/263518883.db2.gz	KSHGQWGLXPRSAT-UYOCIXKTSA-N	0	0	372.240	3.421	40	30		FGEBRN
C#CCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1OC	ZINC000409058548	263521700	/nfs/dbraw/zinc/52/17/00/263521700.db2.gz	YMWBJXDAWYFPCV-DEDYPNTBSA-N	0	0	364.430	3.137	40	30		FGEBRN
CC(C)(C)COc1ccccc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409354791	263551128	/nfs/dbraw/zinc/55/11/28/263551128.db2.gz	BBXVFPYBAZHTFJ-UHFFFAOYSA-N	0	0	351.406	3.409	40	30		FGEBRN
CCCCCCCCCCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000100839267	495066322	/nfs/dbraw/zinc/06/63/22/495066322.db2.gz	IQAUHVSHMRQVHY-HZPDHXFCSA-N	0	0	360.589	3.263	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000057557613	493773749	/nfs/dbraw/zinc/77/37/49/493773749.db2.gz	PVEMEKWZYBVTFE-UHFFFAOYSA-N	0	0	359.769	3.416	40	30		FGEBRN
C=C(CC)C[C@H]1C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	ZINC000001647555	493796793	/nfs/dbraw/zinc/79/67/93/493796793.db2.gz	DDETXFVRKGDIDT-QKKBWIMNSA-N	0	0	352.434	3.297	40	30		FGEBRN
Cc1ccc2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1C	ZINC000004092456	493864364	/nfs/dbraw/zinc/86/43/64/493864364.db2.gz	WEIPHBJBWVKGBS-MRXNPFEDSA-N	0	0	355.463	3.111	40	30		FGEBRN
N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nnnn1-c1ccc(Cl)cc1	ZINC000016398780	494388899	/nfs/dbraw/zinc/38/88/99/494388899.db2.gz	QGQQQDJVQOPKRD-AWEZNQCLSA-N	0	0	358.188	3.459	40	30		FGEBRN
Cc1ccc2c(C)nc(NC3=NCN([C@H]4CCC[C@H](C)[C@H]4C)CN3)nc2c1	ZINC000016994375	494405295	/nfs/dbraw/zinc/40/52/95/494405295.db2.gz	UVJAURJSRPJZJF-KHYOSLBOSA-N	0	0	366.513	3.469	40	30		FGEBRN
O=C1N/C(=N\N=C/c2ccco2)S[C@@H]1Cc1cccc(C(F)(F)F)c1	ZINC000019855612	494462508	/nfs/dbraw/zinc/46/25/08/494462508.db2.gz	IDKIWPXVDZEQTI-HHGUGQKFSA-N	0	0	367.352	3.463	40	30		FGEBRN
O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1	ZINC000020496147	494474370	/nfs/dbraw/zinc/47/43/70/494474370.db2.gz	BUVGFFWQGHOHGU-UHFFFAOYSA-N	0	0	355.266	3.189	40	30		FGEBRN
N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1	ZINC000020637771	494478967	/nfs/dbraw/zinc/47/89/67/494478967.db2.gz	KJGIRTLXAVRGJP-IUODEOHRSA-N	0	0	367.206	3.480	40	30		FGEBRN
N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1	ZINC000020637774	494479725	/nfs/dbraw/zinc/47/97/25/494479725.db2.gz	KJGIRTLXAVRGJP-DOMZBBRYSA-N	0	0	367.206	3.480	40	30		FGEBRN
O=C1SC(N2CCN(Cc3ccccc3)CC2)=N/C1=C/c1ccccc1	ZINC000022134201	494515695	/nfs/dbraw/zinc/51/56/95/494515695.db2.gz	DCHSWVRTAGEZBK-XDJHFCHBSA-N	0	0	363.486	3.475	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218372878	497001894	/nfs/dbraw/zinc/00/18/94/497001894.db2.gz	QLWPPTGRGHFDHC-SLFFLAALSA-N	0	0	355.459	3.481	40	30		FGEBRN
N#C[C@@]1(C=O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218636437	497004908	/nfs/dbraw/zinc/00/49/08/497004908.db2.gz	BBVPMVVRZBBECS-IXDOHACOSA-N	0	0	363.797	3.128	40	30		FGEBRN
COC(=O)[C@@H]1CC[C@H]2[C@]1(C)CC[C@H]1[C@]34CCC(=O)C=C3CC[C@]21O[C@@H]4OC	ZINC000254567557	497350177	/nfs/dbraw/zinc/35/01/77/497350177.db2.gz	RWKSXLXAGGNKPV-BAMNERMJSA-N	0	0	374.477	3.413	40	30		FGEBRN
CC(C)[C@H](CO)Nc1nc(Nc2ccccc2C#N)cc(-c2cccnc2)n1	ZINC000328964499	498999814	/nfs/dbraw/zinc/99/98/14/498999814.db2.gz	BUTQYEBZXDOUIN-IBGZPJMESA-N	0	0	374.448	3.005	40	30		FGEBRN
CN(C)c1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1Br	ZINC000409098379	499595777	/nfs/dbraw/zinc/59/57/77/499595777.db2.gz	ONSJTPXFOCAQAF-RQZCQDPDSA-N	0	0	364.203	3.264	40	30		FGEBRN
COC(=O)c1ccc(-c2ccc(CN=Nc3ncccc3[N+](=O)[O-])o2)cc1	ZINC000409104710	499595992	/nfs/dbraw/zinc/59/59/92/499595992.db2.gz	HNKOHFRQCZIOHB-RGVLZGJSSA-N	0	0	366.333	3.482	40	30		FGEBRN
N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(c2cnccn2)CC3)cc1	ZINC000585100046	507566736	/nfs/dbraw/zinc/56/67/36/507566736.db2.gz	DFAXGADMNBGTGP-NRFANRHFSA-N	0	0	361.449	3.014	40	30		FGEBRN
N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccccn3)n2)cn1	ZINC000585293005	507586556	/nfs/dbraw/zinc/58/65/56/507586556.db2.gz	BQTFHVKFMKGHHG-LJQANCHMSA-N	0	0	357.421	3.219	40	30		FGEBRN
C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)cc1	ZINC000224691366	518805395	/nfs/dbraw/zinc/80/53/95/518805395.db2.gz	SSFQYBNZBXUJPU-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)cc1	ZINC000224854261	518805623	/nfs/dbraw/zinc/80/56/23/518805623.db2.gz	OFLXVXQSVNUBHO-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
C=CCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000224452582	518934852	/nfs/dbraw/zinc/93/48/52/518934852.db2.gz	XPQITBGPQGOPJP-UHFFFAOYSA-N	0	0	372.490	3.122	40	30		FGEBRN
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000032422863	519028074	/nfs/dbraw/zinc/02/80/74/519028074.db2.gz	SZLNUUNKGBGREX-CQSZACIVSA-N	0	0	359.447	3.146	40	30		FGEBRN
CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N2CCCc3ccccc32)cc1	ZINC000014397030	519708692	/nfs/dbraw/zinc/70/86/92/519708692.db2.gz	WYLZKPMWBZJIBE-HZHRSRAPSA-N	0	0	365.433	3.365	40	30		FGEBRN
CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000017109859	520180370	/nfs/dbraw/zinc/18/03/70/520180370.db2.gz	XIAROBJZBXPNKK-KNTRCKAVSA-N	0	0	362.451	3.105	40	30		FGEBRN
CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225082887	521486383	/nfs/dbraw/zinc/48/63/83/521486383.db2.gz	DFPTVBQBPBDWNL-UHFFFAOYSA-N	0	0	359.407	3.185	40	30		FGEBRN
COc1ccc(Cl)cc1C/C=N/NS(=O)(=O)c1ccc(C)cc1	ZINC000008637489	524199752	/nfs/dbraw/zinc/19/97/52/524199752.db2.gz	NXJDZSFTKFIIKL-VCHYOVAHSA-N	0	0	352.843	3.164	40	30		FGEBRN
O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccccc1[N+](=O)[O-]	ZINC000005105083	527636782	/nfs/dbraw/zinc/63/67/82/527636782.db2.gz	LDZOZIDZFFKDDX-DSOJMZEYSA-N	0	0	352.302	3.368	40	30		FGEBRN
Cc1cc(C)nc(N=NCc2cc(Br)c(N3CCCC3)o2)n1	ZINC000408852156	570692122	/nfs/dbraw/zinc/69/21/22/570692122.db2.gz	CQTOIULAZIKLDD-MFOYZWKCSA-N	0	0	364.247	3.495	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O	ZINC000409054297	570717538	/nfs/dbraw/zinc/71/75/38/570717538.db2.gz	FGFJJVGKXBFDGN-LFIBNONCSA-N	0	0	367.382	3.403	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O	ZINC000409140195	570731621	/nfs/dbraw/zinc/73/16/21/570731621.db2.gz	GCNRDTMXSBXKKA-CPNJWEJPSA-N	0	0	364.449	3.239	40	30		FGEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1	ZINC000409232978	570744454	/nfs/dbraw/zinc/74/44/54/570744454.db2.gz	CQYBMRJKMJOEEF-HMAPJEAMSA-N	0	0	352.434	3.292	40	30		FGEBRN
COc1ccc(C2(C(=O)Nc3ccc(OC)c(C#N)c3)CCOCC2)cc1	ZINC000225781201	209835742	/nfs/dbraw/zinc/83/57/42/209835742.db2.gz	VNZDVQMVIDKVQN-UHFFFAOYSA-N	0	0	366.417	3.262	40	30		FGEBRN
COc1cccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)c1	ZINC000001354193	219397678	/nfs/dbraw/zinc/39/76/78/219397678.db2.gz	XQRNRUMWSANZJE-UHFFFAOYSA-N	0	0	374.400	3.421	40	30		FGEBRN
CC1CCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)CC1	ZINC000001355143	219398385	/nfs/dbraw/zinc/39/83/85/219398385.db2.gz	KECHCGROPUZYLD-UHFFFAOYSA-N	0	0	369.446	3.186	40	30		FGEBRN
N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218436964	209667638	/nfs/dbraw/zinc/66/76/38/209667638.db2.gz	WJMHEDCEAQYCFT-HOTGVXAUSA-N	0	0	360.797	3.452	40	30		FGEBRN
N#C[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218178377	209665369	/nfs/dbraw/zinc/66/53/69/209665369.db2.gz	PWULOKMHANZEPC-RRQGHBQHSA-N	0	0	361.806	3.148	40	30		FGEBRN
C=CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	ZINC000003009681	209398931	/nfs/dbraw/zinc/39/89/31/209398931.db2.gz	KWCRGWBFKLKKPR-CYVLTUHYSA-N	0	0	350.418	3.253	40	30		FGEBRN
COc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1	ZINC000000917562	209381766	/nfs/dbraw/zinc/38/17/66/209381766.db2.gz	RMDSCYYDMMPURH-UHFFFAOYSA-N	0	0	353.403	3.117	40	30		FGEBRN
CCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)[O-]	ZINC000100050174	209209596	/nfs/dbraw/zinc/20/95/96/209209596.db2.gz	DDGPBVIAYDDWDH-QGZVFWFLSA-O	0	0	352.561	3.232	40	30		FGEBRN
C=CCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1	ZINC000032414324	206754193	/nfs/dbraw/zinc/75/41/93/206754193.db2.gz	IGUICULUOWITCZ-UHFFFAOYSA-N	0	0	357.406	3.207	40	30		FGEBRN
COC1=C(Nc2ccccc2)C(=O)C(OC)=C(Nc2ccccc2)C1=O	ZINC000001598430	206889047	/nfs/dbraw/zinc/88/90/47/206889047.db2.gz	IHTOJODSKPFMID-UHFFFAOYSA-N	0	0	350.374	3.078	40	30		FGEBRN
CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(O)c2)S1	ZINC000006870618	207174169	/nfs/dbraw/zinc/17/41/69/207174169.db2.gz	QRDVGAUABPLWJU-YBEGLDIGSA-N	0	0	356.403	3.388	40	30		FGEBRN
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000034098776	208102643	/nfs/dbraw/zinc/10/26/43/208102643.db2.gz	SOXIJFAYYXSXCD-OLMLVEDVSA-N	0	0	360.370	3.329	40	30		FGEBRN
S=C(N/N=C\c1ccc2c(c1)OCO2)Nc1cccc2cccnc21	ZINC000033379825	208091489	/nfs/dbraw/zinc/09/14/89/208091489.db2.gz	TVQUHDXLPTTXQW-JMIUGGIZSA-N	0	0	350.403	3.284	40	30		FGEBRN
CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000408564288	263472072	/nfs/dbraw/zinc/47/20/72/263472072.db2.gz	XYGBUVLKDSYJNG-IBGZPJMESA-N	0	0	369.808	3.044	40	30		FGEBRN
COc1ccc(NN=C2C=C(c3cc(OC)ccc3OC)OC2=O)cc1	ZINC000408726355	263491012	/nfs/dbraw/zinc/49/10/12/263491012.db2.gz	QUYVSIATWCMFLW-PGMHBOJBSA-N	0	0	354.362	3.078	40	30		FGEBRN
Cc1ccc(S(=O)(=O)N=C2C=C(C)C(=O)C(Br)=C2C)cc1	ZINC000000939523	493779113	/nfs/dbraw/zinc/77/91/13/493779113.db2.gz	IOYRXXSNZCQVEK-GHRIWEEISA-N	0	0	368.252	3.323	40	30		FGEBRN
CCOc1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1OCC	ZINC000001682129	493798069	/nfs/dbraw/zinc/79/80/69/493798069.db2.gz	QNJARJUWDWNJMF-KVVJQUGZSA-N	0	0	370.478	3.316	40	30		FGEBRN
C=CCOc1ccc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc1OCC	ZINC000002889317	493824063	/nfs/dbraw/zinc/82/40/63/493824063.db2.gz	JYSNZXSXYDXLII-SDNWHVSQSA-N	0	0	372.446	3.303	40	30		FGEBRN
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)cc1	ZINC000004944407	493902448	/nfs/dbraw/zinc/90/24/48/493902448.db2.gz	NJSCOVRXMCKVDM-AWEZNQCLSA-N	0	0	371.462	3.311	40	30		FGEBRN
Oc1csc(NN=Cc2ccccc2OCc2ccccc2Cl)n1	ZINC000059482991	493906809	/nfs/dbraw/zinc/90/68/09/493906809.db2.gz	SMJYMHZIXMNJOC-DJKKODMXSA-N	0	0	359.838	3.472	40	30		FGEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000010002749	494138878	/nfs/dbraw/zinc/13/88/78/494138878.db2.gz	AWGOPFIVXYGOMD-HBTZSIKTSA-N	0	0	356.334	3.336	40	30		FGEBRN
C=CCN(c1ccc(C(=O)NCCCc2ccccc2)cc1)S(C)(=O)=O	ZINC000013671135	494292438	/nfs/dbraw/zinc/29/24/38/494292438.db2.gz	UIBROUJEVLBQRC-UHFFFAOYSA-N	0	0	372.490	3.001	40	30		FGEBRN
CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnc2ccccc2n1	ZINC000016137194	494379309	/nfs/dbraw/zinc/37/93/09/494379309.db2.gz	KOKZEVXNRWVCEO-VXLYETTFSA-N	0	0	352.310	3.282	40	30		FGEBRN
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@H]21	ZINC000020111585	494467569	/nfs/dbraw/zinc/46/75/69/494467569.db2.gz	MXGIYHZVIKLRKE-KAGYGMCKSA-N	0	0	355.478	3.420	40	30		FGEBRN
Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	ZINC000100138592	495063509	/nfs/dbraw/zinc/06/35/09/495063509.db2.gz	DHVJHMMNSYCOHN-ZWAQGKOVSA-N	0	0	352.434	3.420	40	30		FGEBRN
CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218043673	497000232	/nfs/dbraw/zinc/00/02/32/497000232.db2.gz	KHUFKDXTQUJARO-WSTZPKSXSA-N	0	0	369.442	3.008	40	30		FGEBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	ZINC000218566213	497003929	/nfs/dbraw/zinc/00/39/29/497003929.db2.gz	TZOXLYWSBQZBJQ-FGTMMUONSA-N	0	0	360.866	3.063	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252514337	497309254	/nfs/dbraw/zinc/30/92/54/497309254.db2.gz	CKXJBNJNUOWCRQ-RCCFBDPRSA-N	0	0	361.850	3.436	40	30		FGEBRN
N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CC[C@H](c2ccccc2)C1	ZINC000256049455	497382290	/nfs/dbraw/zinc/38/22/90/497382290.db2.gz	ZZXWLUHVYFYNLM-HNNXBMFYSA-N	0	0	360.377	3.041	40	30		FGEBRN
N#Cc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@@H]3C2)cc1	ZINC000306141601	498742731	/nfs/dbraw/zinc/74/27/31/498742731.db2.gz	WBUWTWPEAVGOSF-RBUKOAKNSA-N	0	0	369.428	3.076	40	30		FGEBRN
CC[C@H](C)Nc1nc(Nc2cccc(F)c2C#N)cc(C(F)(F)F)n1	ZINC000329008986	499013065	/nfs/dbraw/zinc/01/30/65/499013065.db2.gz	LTZPMZNHCDQMCL-VIFPVBQESA-N	0	0	353.323	3.304	40	30		FGEBRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(OC)c(OC)c1	ZINC000408736687	499594621	/nfs/dbraw/zinc/59/46/21/499594621.db2.gz	FLPQFAPTUYTCNO-YPKZHZFPSA-N	0	0	366.417	3.388	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC	ZINC000408839898	499595075	/nfs/dbraw/zinc/59/50/75/499595075.db2.gz	BFBLXUOGOMCYIZ-LCYFTJDESA-N	0	0	351.811	3.417	40	30		FGEBRN
COc1ccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)c(OC)c1	ZINC000408816097	499595274	/nfs/dbraw/zinc/59/52/74/499595274.db2.gz	SMNLJTMQCSVXSI-MTJSOVHGSA-N	0	0	356.422	3.358	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224836936	518812373	/nfs/dbraw/zinc/81/23/73/518812373.db2.gz	ZWADTPRUNRLTDE-UHFFFAOYSA-N	0	0	367.373	3.117	40	30		FGEBRN
C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(F)cc1	ZINC000224922555	518814115	/nfs/dbraw/zinc/81/41/15/518814115.db2.gz	DMTQJTIBTLAXFU-UHFFFAOYSA-N	0	0	363.410	3.384	40	30		FGEBRN
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1	ZINC000006238894	523282608	/nfs/dbraw/zinc/28/26/08/523282608.db2.gz	BLSPSBGQDIYUPG-SFHVURJKSA-N	0	0	369.392	3.441	40	30		FGEBRN
Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(N(C)CCO)cc1	ZINC000006288307	524299848	/nfs/dbraw/zinc/29/98/48/524299848.db2.gz	HYHCNQUJCRYJSS-DEDYPNTBSA-N	0	0	356.495	3.052	40	30		FGEBRN
N#CCc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1	ZINC000225420025	526484203	/nfs/dbraw/zinc/48/42/03/526484203.db2.gz	ABSTUGQWOFFAGA-UHFFFAOYSA-N	0	0	366.490	3.076	40	30		FGEBRN
C=CCN1C(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)C(=O)NC1=S	ZINC000408903470	570697471	/nfs/dbraw/zinc/69/74/71/570697471.db2.gz	YHYSAOWYVNTWQT-RVDMUPIBSA-N	0	0	361.426	3.134	40	30		FGEBRN
CC1=NOC(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000408942393	570702031	/nfs/dbraw/zinc/70/20/31/570702031.db2.gz	QOMAGJQHBAIRPC-GZTJUZNOSA-N	0	0	357.387	3.079	40	30		FGEBRN
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=S)Nc1ccccc1	ZINC000409095871	570722994	/nfs/dbraw/zinc/72/29/94/570722994.db2.gz	DTHKBFGNNKCKAK-ZHZULCJRSA-N	0	0	354.479	3.152	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2cc(OCC)c(OCC)cc2Cl)C1=O	ZINC000409129335	570730156	/nfs/dbraw/zinc/73/01/56/570730156.db2.gz	FTFXCKOQTYIESX-MDWZMJQESA-N	0	0	350.802	3.216	40	30		FGEBRN
C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O	ZINC000409142023	570731956	/nfs/dbraw/zinc/73/19/56/570731956.db2.gz	KVSIDDAJHBVHLW-IEMQHYRPSA-N	0	0	362.426	3.273	40	30		FGEBRN
COc1cc(N2CCOCC2)ccc1/C=N/c1ccc([N+](=O)[O-])cc1C	ZINC000409248700	570745345	/nfs/dbraw/zinc/74/53/45/570745345.db2.gz	IBIIPSQIOZZTFO-DEDYPNTBSA-N	0	0	355.394	3.499	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1	ZINC000409283289	570748543	/nfs/dbraw/zinc/74/85/43/570748543.db2.gz	RYVJIIDGFYDLSZ-UHFFFAOYSA-N	0	0	358.195	3.055	40	30		FGEBRN
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1	ZINC000409315212	570750039	/nfs/dbraw/zinc/75/00/39/570750039.db2.gz	UUBKGVGNGZBQSX-UHFFFAOYSA-N	0	0	371.238	3.389	40	30		FGEBRN
CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1OC	ZINC000409353697	570752670	/nfs/dbraw/zinc/75/26/70/570752670.db2.gz	PSSGBRACIPVESA-UHFFFAOYSA-N	0	0	373.796	3.045	40	30		FGEBRN
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccccc1	ZINC000409359999	570753437	/nfs/dbraw/zinc/75/34/37/570753437.db2.gz	OPENHBRVKAMKRZ-UHFFFAOYSA-N	0	0	358.401	3.392	40	30		FGEBRN
C=CCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1	ZINC000219638369	210175683	/nfs/dbraw/zinc/17/56/83/210175683.db2.gz	UWFBGOOSECRWIR-UHFFFAOYSA-N	0	0	357.406	3.207	40	30		FGEBRN
C=CCNc1ncc(-c2ccsc2)c(-c2cnc(OC)nc2OC)n1	ZINC000012327591	210140630	/nfs/dbraw/zinc/14/06/30/210140630.db2.gz	IUCZUDXOVQMUFC-UHFFFAOYSA-N	0	0	355.423	3.277	40	30		FGEBRN
C=C(CC)C[C@@H]1C[C@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	ZINC000005542004	210104893	/nfs/dbraw/zinc/10/48/93/210104893.db2.gz	DDETXFVRKGDIDT-SPLOXXLWSA-N	0	0	352.434	3.297	40	30		FGEBRN
N#Cc1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)c1	ZINC000306129534	210051672	/nfs/dbraw/zinc/05/16/72/210051672.db2.gz	IGJSKFBSWMVDMF-OALUTQOASA-N	0	0	369.428	3.076	40	30		FGEBRN
COc1c2c(cc3c1[C@H](C/C(=N/[O-])c1ccccc1)[N@H+](C)CC3)OCO2	ZINC000012660681	220016568	/nfs/dbraw/zinc/01/65/68/220016568.db2.gz	FBWKJYJCSSZORR-NOEYKIMYSA-N	0	0	354.406	3.222	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000019959669	211264535	/nfs/dbraw/zinc/26/45/35/211264535.db2.gz	SNZIKKHZUGVLBA-AYVTZFPOSA-N	0	0	359.773	3.108	40	30		FGEBRN
CC1(C)S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	ZINC000018085479	211189486	/nfs/dbraw/zinc/18/94/86/211189486.db2.gz	UIOLWSPKFBPVRI-VLGSPTGOSA-N	0	0	360.460	3.417	40	30		FGEBRN
NC(=S)N/N=C1\c2cc(Cl)ccc2-c2c1cc(Cl)cc2[N+](=O)[O-]	ZINC000017380289	211184574	/nfs/dbraw/zinc/18/45/74/211184574.db2.gz	NPHZXJBRYUAQDC-QGOAFFKASA-N	0	0	367.217	3.468	40	30		FGEBRN
CO[C@H]1CC[C@H]2CC[C@@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1	ZINC000101043033	222261103	/nfs/dbraw/zinc/26/11/03/222261103.db2.gz	YDOUAVFJRIGNQS-ZSHCYNCHSA-N	0	0	350.484	3.245	40	30		FGEBRN
CCOc1cc(-c2cccnc2)nc(SCC(=O)C=C(C)O)c1C#N	ZINC000101668980	222280428	/nfs/dbraw/zinc/28/04/28/222280428.db2.gz	OODHUDLTSFUZEN-UHFFFAOYSA-N	0	0	355.419	3.054	40	30		FGEBRN
c1csc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1	ZINC000004737378	263336758	/nfs/dbraw/zinc/33/67/58/263336758.db2.gz	XXQILZHPMRFVHT-XMHGGMMESA-N	0	0	371.514	3.360	40	30		FGEBRN
CN(C)c1ccc(C=Nc2n[nH]c(N=Cc3ccc(N(C)C)cc3)n2)cc1	ZINC000005334067	263339957	/nfs/dbraw/zinc/33/99/57/263339957.db2.gz	NENQUGHKNDBMGF-VOKWCDJLSA-N	0	0	361.453	3.438	40	30		FGEBRN
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000006226863	263344522	/nfs/dbraw/zinc/34/45/22/263344522.db2.gz	QFFJHLMAZLKAKF-UHFFFAOYSA-N	0	0	364.854	3.081	40	30		FGEBRN
COc1ccccc1CN/N=C/c1ccc(I)o1	ZINC000020761691	263381490	/nfs/dbraw/zinc/38/14/90/263381490.db2.gz	NZWYNHONWYVZMG-CXUHLZMHSA-N	0	0	356.163	3.017	40	30		FGEBRN
CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000408719612	263490127	/nfs/dbraw/zinc/49/01/27/263490127.db2.gz	ZMZVQIFPQGRZRK-MRXNPFEDSA-N	0	0	357.391	3.237	40	30		FGEBRN
Cc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C	ZINC000409249303	263547789	/nfs/dbraw/zinc/54/77/89/263547789.db2.gz	NDLWHGDASFAJGW-HYARGMPZSA-N	0	0	352.434	3.292	40	30		FGEBRN
CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000001702730	493797834	/nfs/dbraw/zinc/79/78/34/493797834.db2.gz	BVRYLTBIGIAADD-MRXNPFEDSA-N	0	0	358.390	3.327	40	30	biogenic,in-vitro	FGEBRN
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2cccc(Cl)c2)cc1	ZINC000005546477	493934591	/nfs/dbraw/zinc/93/45/91/493934591.db2.gz	NPGNMJHIWMJDHZ-SFQUDFHCSA-N	0	0	367.840	3.410	40	30		FGEBRN
Cc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1	ZINC000013304292	494284320	/nfs/dbraw/zinc/28/43/20/494284320.db2.gz	JDUXPYCXFDGHIY-YDDPGSGASA-N	0	0	368.418	3.067	40	30		FGEBRN
CC(=O)OC1CCC(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000043761751	494316854	/nfs/dbraw/zinc/31/68/54/494316854.db2.gz	DCFBQXRYZRWTLF-CXUHLZMHSA-N	0	0	350.331	3.023	40	30		FGEBRN
CC(C)(C)c1ccc(-c2nc(C#N)c(N[C@@H]3CCS(=O)(=O)C3)o2)cc1	ZINC000027562478	494873241	/nfs/dbraw/zinc/87/32/41/494873241.db2.gz	KDEGIPZVVDCMEG-CQSZACIVSA-N	0	0	359.451	3.110	40	30		FGEBRN
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000118915699	495053906	/nfs/dbraw/zinc/05/39/06/495053906.db2.gz	VSGTWMOZGFNRPM-SQQNWLPGSA-N	0	0	360.494	3.055	40	30	in-vitro	FGEBRN
COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccccc1C#N	ZINC000113834623	495331511	/nfs/dbraw/zinc/33/15/11/495331511.db2.gz	DLJJCXLWHVQJSA-RQZCQDPDSA-N	0	0	366.398	3.470	40	30		FGEBRN
C=CCN(c1ccc(C(=O)Nc2ccc(CC)cc2)cc1)S(C)(=O)=O	ZINC000113936543	495338029	/nfs/dbraw/zinc/33/80/29/495338029.db2.gz	AMCVHLMRSCRWCX-UHFFFAOYSA-N	0	0	358.463	3.453	40	30		FGEBRN
N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1	ZINC000278066184	496992326	/nfs/dbraw/zinc/99/23/26/496992326.db2.gz	ZHUOKIVGSLTWAO-OTWHNJEPSA-N	0	0	374.444	3.365	40	30		FGEBRN
COC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218056227	497000490	/nfs/dbraw/zinc/00/04/90/497000490.db2.gz	WOPVTRZZWMQKRO-FGTMMUONSA-N	0	0	361.850	3.436	40	30		FGEBRN
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000225662933	497071017	/nfs/dbraw/zinc/07/10/17/497071017.db2.gz	CWPUUSLREALRNV-BZSNNMDCSA-N	0	0	359.834	3.297	40	30		FGEBRN
Cc1nnc(/N=C2/S/C(=C\c3cccc4nccnc34)C(=O)N2C)s1	ZINC000256055609	497382679	/nfs/dbraw/zinc/38/26/79/497382679.db2.gz	NAKMBJRIKDFEKF-HBQMXERUSA-N	0	0	368.447	3.024	40	30		FGEBRN
O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)N1CCCC1	ZINC000408574863	499592438	/nfs/dbraw/zinc/59/24/38/499592438.db2.gz	FDMOTQZEFODIGC-UHFFFAOYSA-N	0	0	361.397	3.150	40	30		FGEBRN
N#Cc1ccccc1Cn1cc([C@@H]2[NH2+]C[C@H](C(=O)[O-])S2)c2ccccc21	ZINC000408979512	499595414	/nfs/dbraw/zinc/59/54/14/499595414.db2.gz	RFLYFXKQCVNJQT-RTBURBONSA-N	0	0	363.442	3.349	40	30		FGEBRN
CCOc1cc(Br)cc(/C=C2/S/C(=N/C)N(C)C2=O)c1O	ZINC000408928417	499595502	/nfs/dbraw/zinc/59/55/02/499595502.db2.gz	AYTAEPPEULIPNG-BTSHEXGNSA-N	0	0	371.256	3.085	40	30		FGEBRN
C=CCn1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c2ccccc21	ZINC000409098067	499595630	/nfs/dbraw/zinc/59/56/30/499595630.db2.gz	JZPLHOYKXWKCLS-HMHNVIDESA-N	0	0	370.430	3.425	40	30		FGEBRN
CCOc1cc2c(cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCO2	ZINC000409104179	499595912	/nfs/dbraw/zinc/59/59/12/499595912.db2.gz	GFJIJZDBSUWTAN-IUXPMGMMSA-N	0	0	374.309	3.076	40	30		FGEBRN
CC(C)(C)OC(=O)N1CC(N[C@@H](C#N)c2ccc(Br)s2)C1	ZINC000409440083	499596271	/nfs/dbraw/zinc/59/62/71/499596271.db2.gz	JOXADXSFWGREPN-JTQLQIEISA-N	0	0	372.288	3.284	40	30		FGEBRN
C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224820797	518803343	/nfs/dbraw/zinc/80/33/43/518803343.db2.gz	XBHPLOUSSSZROF-UHFFFAOYSA-N	0	0	359.447	3.456	40	30		FGEBRN
C=CCNC(=S)Nc1nc(C)c(Br)cc1Br	ZINC000223918305	518950801	/nfs/dbraw/zinc/95/08/01/518950801.db2.gz	UKGVLUWRGBEBGO-UHFFFAOYSA-N	0	0	365.094	3.387	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1	ZINC000225924136	518951108	/nfs/dbraw/zinc/95/11/08/518951108.db2.gz	CIIMUIIGBZGREF-OAHLLOKOSA-N	0	0	374.558	3.176	40	30		FGEBRN
CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)N=Nc1ccccc1	ZINC000016953477	520398934	/nfs/dbraw/zinc/39/89/34/520398934.db2.gz	YDHXEDKCVVJCLO-PTGBLXJZSA-N	0	0	363.417	3.112	40	30		FGEBRN
COc1ccc(/C=N/OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC	ZINC000001836878	523452558	/nfs/dbraw/zinc/45/25/58/523452558.db2.gz	NIPMSDJZBJJBEX-CUDRYGEXSA-N	0	0	374.481	3.482	40	30		FGEBRN
COc1ccc2c(c1)CCC/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000032131522	525510086	/nfs/dbraw/zinc/51/00/86/525510086.db2.gz	JHMDQHSWVRNAHE-CZIZESTLSA-N	0	0	354.362	3.430	40	30		FGEBRN
COc1cccc(NC(=S)N/N=C(\C)c2cccc(NC(C)=O)c2)c1	ZINC000006406887	526205658	/nfs/dbraw/zinc/20/56/58/526205658.db2.gz	URXJXSABJAMATK-CIAFOILYSA-N	0	0	356.451	3.364	40	30		FGEBRN
C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O	ZINC000409129663	570730190	/nfs/dbraw/zinc/73/01/90/570730190.db2.gz	VRUQKLZNKXXUPS-WQRHYEAKSA-N	0	0	351.406	3.181	40	30		FGEBRN
C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)cc2)SC1=S	ZINC000409349185	570752110	/nfs/dbraw/zinc/75/21/10/570752110.db2.gz	UUNDKEVBBCJADZ-GXDHUFHOSA-N	0	0	363.460	3.016	40	30		FGEBRN
COc1c(Cl)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Cl	ZINC000409351447	570752637	/nfs/dbraw/zinc/75/26/37/570752637.db2.gz	WKJFAKRHUUFMPO-UHFFFAOYSA-N	0	0	364.188	3.300	40	30		FGEBRN
N#Cc1cccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c1	ZINC000329041368	210133476	/nfs/dbraw/zinc/13/34/76/210133476.db2.gz	SIXLWLBAAIROEL-UHFFFAOYSA-N	0	0	356.433	3.352	40	30		FGEBRN
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000001053856	210073181	/nfs/dbraw/zinc/07/31/81/210073181.db2.gz	MBBVWOIQMWSAHG-AWQFTUOYSA-N	0	0	357.508	3.073	40	30		FGEBRN
COc1cccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)c1	ZINC000001354204	219397796	/nfs/dbraw/zinc/39/77/96/219397796.db2.gz	IXRZVWMJDAGVPU-UHFFFAOYSA-N	0	0	374.400	3.421	40	30		FGEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@@H](C)C2)c1	ZINC000225858706	222876332	/nfs/dbraw/zinc/87/63/32/222876332.db2.gz	PWEGSQITRTXTTG-MRXNPFEDSA-N	0	0	350.466	3.100	40	30		FGEBRN
O[C@@]1(Cn2cncn2)c2ccccc2CC[C@]12O[C@H]2c1ccc(Cl)cc1	ZINC000005254696	219665331	/nfs/dbraw/zinc/66/53/31/219665331.db2.gz	AMIQPHHTWZOBRV-SLFFLAALSA-N	0	0	367.836	3.276	40	30		FGEBRN
CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1C(=O)C[C@@H](C)CC1=N2	ZINC000019959579	211264321	/nfs/dbraw/zinc/26/43/21/211264321.db2.gz	ZTTGTBCAVBHXNU-QFYYESIMSA-N	0	0	356.451	3.364	40	30		FGEBRN
O=S1(=O)CC[C@H](N(/N=C\c2c[nH]c3ccccc23)c2ccccc2)C1	ZINC000017024594	211175578	/nfs/dbraw/zinc/17/55/78/211175578.db2.gz	LOGHWOKNQJTQBK-WBRURWICSA-N	0	0	353.447	3.196	40	30		FGEBRN
CCOC(=O)CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000005125011	210601696	/nfs/dbraw/zinc/60/16/96/210601696.db2.gz	QBCPGCBKEKUWFK-CYVLTUHYSA-N	0	0	372.337	3.272	40	30		FGEBRN
N#Cc1ccc(N2C[C@@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)cc1	ZINC000096238829	222094307	/nfs/dbraw/zinc/09/43/07/222094307.db2.gz	VUGJOIDTXZTGBD-NRFANRHFSA-N	0	0	366.465	3.029	40	30		FGEBRN
Cc1cccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	ZINC000017076597	263372280	/nfs/dbraw/zinc/37/22/80/263372280.db2.gz	MBBIBCFEDRREBN-AEFFLSMTSA-N	0	0	374.440	3.470	40	30		FGEBRN
N#Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c(F)c1	ZINC000020528891	263381851	/nfs/dbraw/zinc/38/18/51/263381851.db2.gz	ZWQBCYPPNUWMKL-UHFFFAOYSA-N	0	0	364.365	3.116	40	30		FGEBRN
Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000409094093	263525766	/nfs/dbraw/zinc/52/57/66/263525766.db2.gz	CTKYQBBQANHPJR-HAVVHWLPSA-N	0	0	365.477	3.419	40	30		FGEBRN
C=CCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1	ZINC000001365697	493792819	/nfs/dbraw/zinc/79/28/19/493792819.db2.gz	YDJZBKIROJJECV-HNNXBMFYSA-N	0	0	369.387	3.149	40	30		FGEBRN
CC(=O)N(OCc1ccccc1)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	ZINC000003789145	493858069	/nfs/dbraw/zinc/85/80/69/493858069.db2.gz	RHFUXPCCELGMFC-UXHICEINSA-N	0	0	366.417	3.112	40	30	in-vitro	FGEBRN
CC[C@@H](Sc1nc2c(cc1C#N)CCC2)C(=O)Nc1nnc(C)s1	ZINC000004619933	493884650	/nfs/dbraw/zinc/88/46/50/493884650.db2.gz	VYNFJGWVKKLIOS-CYBMUJFWSA-N	0	0	359.480	3.111	40	30		FGEBRN
O=C(COc1ccc(/N=C\c2cc(Cl)ccc2O)cc1)N1CCOCC1	ZINC000059520235	493907704	/nfs/dbraw/zinc/90/77/04/493907704.db2.gz	OOBXNLHWXYOPEU-MTJSOVHGSA-N	0	0	374.824	3.034	40	30		FGEBRN
O=C1N=C(N=CC(Cl)(Cl)Cl)N[C@@H](C(Cl)(Cl)Cl)O1	ZINC000005220220	493920276	/nfs/dbraw/zinc/92/02/76/493920276.db2.gz	PKGVQJAMIKYNTK-AHTFOAKPSA-N	0	0	361.827	3.220	40	30		FGEBRN
COc1ccccc1[C@H](C#N)NCCCN[C@@H](C#N)c1ccccc1OC	ZINC000031667242	493954768	/nfs/dbraw/zinc/95/47/68/493954768.db2.gz	QNMNQYCJFCGGLZ-OALUTQOASA-N	0	0	364.449	3.103	40	30		FGEBRN
O=c1[nH]cnc2[nH]c(NN=Cc3c4ccccc4cc4ccccc43)nc21	ZINC000006651549	493973031	/nfs/dbraw/zinc/97/30/31/493973031.db2.gz	VEDBTGGJKMPUGY-AUEPDCJTSA-N	0	0	354.373	3.399	40	30		FGEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(OC)c(OC)c1	ZINC000010042012	494141203	/nfs/dbraw/zinc/14/12/03/494141203.db2.gz	YHHHMASHGGMNHJ-SOFNNGJSSA-N	0	0	371.389	3.445	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC	ZINC000014006572	494300463	/nfs/dbraw/zinc/30/04/63/494300463.db2.gz	IORILLMFCSIQSZ-AWEZNQCLSA-N	0	0	354.406	3.017	40	30		FGEBRN
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	ZINC000218401458	497002455	/nfs/dbraw/zinc/00/24/55/497002455.db2.gz	IGBIWGLJVMEBNC-FGTMMUONSA-N	0	0	361.850	3.090	40	30		FGEBRN
C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC	ZINC000223544743	497038084	/nfs/dbraw/zinc/03/80/84/497038084.db2.gz	NHHWLTSVKQIEFS-OAQYLSRUSA-N	0	0	366.461	3.477	40	30		FGEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCCCC2)c1	ZINC000225859566	497077635	/nfs/dbraw/zinc/07/76/35/497077635.db2.gz	MNBXLYTWYVJPNZ-UHFFFAOYSA-N	0	0	350.466	3.244	40	30		FGEBRN
C[C@]12CC[C@H]3[C@]45CCC(=O)C=C4CC[C@]3(OC5=O)[C@H]1CC[C@H]2C(=O)C1N=N1	ZINC000254310921	497348345	/nfs/dbraw/zinc/34/83/45/497348345.db2.gz	ZTZKAHRXFXPJGF-SMIOYKBOSA-N	0	0	368.433	3.155	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1	ZINC000408709247	499594112	/nfs/dbraw/zinc/59/41/12/499594112.db2.gz	QQUFXBOXHQJNPT-UHFFFAOYSA-N	0	0	363.417	3.030	40	30		FGEBRN
C#CCN(C(=O)Nc1ccc2nccnc2c1)c1ccc(C(=O)OC)cc1	ZINC000408735982	499594462	/nfs/dbraw/zinc/59/44/62/499594462.db2.gz	ZHKMAWBATCZKHX-UHFFFAOYSA-N	0	0	360.373	3.088	40	30		FGEBRN
Ic1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1	ZINC000408914355	499595116	/nfs/dbraw/zinc/59/51/16/499595116.db2.gz	PLNWZDGVKPQSEJ-REZTVBANSA-N	0	0	364.146	3.025	40	30		FGEBRN
C=CCN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O	ZINC000409096962	499595765	/nfs/dbraw/zinc/59/57/65/499595765.db2.gz	FLDVTMLNEYTUAG-OQLLNIDSSA-N	0	0	356.403	3.037	40	30		FGEBRN
C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224780953	518815016	/nfs/dbraw/zinc/81/50/16/518815016.db2.gz	DSZXZYDKZIGNGF-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1	ZINC000225964104	521684281	/nfs/dbraw/zinc/68/42/81/521684281.db2.gz	KRWDCYDRTPLRDV-UHFFFAOYSA-N	0	0	369.446	3.256	40	30		FGEBRN
COc1cc(CN=Nc2nc(C)cc(C)n2)ccc1OC(=O)c1ccco1	ZINC000004866591	521995709	/nfs/dbraw/zinc/99/57/09/521995709.db2.gz	QZFDGXRWMCQBLN-RGVLZGJSSA-N	0	0	366.377	3.360	40	30		FGEBRN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1	ZINC000085409685	523277186	/nfs/dbraw/zinc/27/71/86/523277186.db2.gz	IEGVKZUFGVNYDF-SFHVURJKSA-N	0	0	366.417	3.005	40	30		FGEBRN
COc1cccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1OC	ZINC000252429416	525863526	/nfs/dbraw/zinc/86/35/26/525863526.db2.gz	LWTOEHYQGJDDHA-UHFFFAOYSA-N	0	0	354.435	3.442	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@]3(C)[C@@H]1C2	ZINC000253407534	526210309	/nfs/dbraw/zinc/21/03/09/526210309.db2.gz	WNQOWPFARWIGAD-PRFYUWOJSA-N	0	0	362.466	3.147	40	30	biogenic,in-vitro	FGEBRN
C#CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC	ZINC000408940299	570701551	/nfs/dbraw/zinc/70/15/51/570701551.db2.gz	NRTQHIRLWCOSDX-QGOAFFKASA-N	0	0	374.396	3.149	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O	ZINC000409136270	570731244	/nfs/dbraw/zinc/73/12/44/570731244.db2.gz	YGGKBUJJCSQEQN-SFQUDFHCSA-N	0	0	352.365	3.483	40	30		FGEBRN
Cc1ccc(C)c(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1	ZINC000409236408	570743193	/nfs/dbraw/zinc/74/31/93/570743193.db2.gz	FSLXCWCLOFSOGL-HMAPJEAMSA-N	0	0	352.434	3.292	40	30		FGEBRN
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(C)cn1	ZINC000409365183	570752945	/nfs/dbraw/zinc/75/29/45/570752945.db2.gz	XMZRTCPOKPYKLW-UHFFFAOYSA-N	0	0	373.416	3.095	40	30		FGEBRN
CC(C)[C@H](CO)Nc1nc(Nc2cccc(C#N)c2)cc(-c2cccnc2)n1	ZINC000328970863	210127882	/nfs/dbraw/zinc/12/78/82/210127882.db2.gz	DNAVYLYLVOQGHV-IBGZPJMESA-N	0	0	374.448	3.005	40	30		FGEBRN
Cc1ccc([C@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	ZINC000000836903	219328692	/nfs/dbraw/zinc/32/86/92/219328692.db2.gz	MDCFNRHICQYKAN-KRWDZBQOSA-N	0	0	353.340	3.500	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1	ZINC000225926196	222879217	/nfs/dbraw/zinc/87/92/17/222879217.db2.gz	PWVHTMDJAWGBMI-UHFFFAOYSA-N	0	0	359.421	3.348	40	30		FGEBRN
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1	ZINC000013747362	220092646	/nfs/dbraw/zinc/09/26/46/220092646.db2.gz	NACGKBFHWNTZOO-KEBDBYFISA-N	0	0	363.870	3.485	40	30		FGEBRN
CCc1nn2c(ncc3c2ccn(CCS)c3=O)c1-c1ccccc1	ZINC000040387817	211742420	/nfs/dbraw/zinc/74/24/20/211742420.db2.gz	OPNJXINEFKVJJU-UHFFFAOYSA-N	0	0	350.447	3.203	40	30		FGEBRN
CCc1ccc(S(=O)(=O)/N=C2/SCC(=O)N2c2ccccc2)cc1	ZINC000013843533	211064247	/nfs/dbraw/zinc/06/42/47/211064247.db2.gz	KXBPEUULPCSXDD-ISLYRVAYSA-N	0	0	360.460	3.074	40	30		FGEBRN
CC1=C/C(=N\S(=O)(=O)c2ccc(Br)cc2)C(C)=CC1=O	ZINC000005232199	210609172	/nfs/dbraw/zinc/60/91/72/210609172.db2.gz	RZZCWQKOAAZMOP-DTQAZKPQSA-N	0	0	354.225	3.054	40	30		FGEBRN
N#Cc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)c1	ZINC000096112170	222029278	/nfs/dbraw/zinc/02/92/78/222029278.db2.gz	QZMBGRUPROTPLL-APWZRJJASA-N	0	0	350.397	3.174	40	30	biogenic,in-vitro	FGEBRN
CCCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	ZINC000103346409	222333728	/nfs/dbraw/zinc/33/37/28/222333728.db2.gz	HMUPOJGMNFSIBF-KNTRCKAVSA-N	0	0	369.337	3.076	40	30		FGEBRN
CC1=CC(=O)C(=CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C(=O)O1	ZINC000102919353	222313300	/nfs/dbraw/zinc/31/33/00/222313300.db2.gz	LZYARKAWIVHQAT-GHXNOFRVSA-N	0	0	357.347	3.044	40	30		FGEBRN
CCN1c2ccccc2/C(=N\NC(=S)Nc2ccc(C)cc2C)C1=O	ZINC000102977758	222317293	/nfs/dbraw/zinc/31/72/93/222317293.db2.gz	PWZOTURKVOYIJE-HEHNFIMWSA-N	0	0	352.463	3.361	40	30		FGEBRN
COc1ccc(C2N=NC(=S)N2N=Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000004680429	263335618	/nfs/dbraw/zinc/33/56/18/263335618.db2.gz	HHRNFNNIFWPYAB-YVLHZVERSA-N	0	0	355.379	3.033	40	30		FGEBRN
Cc1cccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	ZINC000017076596	263372426	/nfs/dbraw/zinc/37/24/26/263372426.db2.gz	MBBIBCFEDRREBN-SJLPKXTDSA-N	0	0	374.440	3.470	40	30		FGEBRN
COc1ccccc1CN/N=C/c1ccccc1I	ZINC000020761927	263382547	/nfs/dbraw/zinc/38/25/47/263382547.db2.gz	KOFOPYBGJJKEEM-LICLKQGHSA-N	0	0	366.202	3.424	40	30		FGEBRN
COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C#N)c(N)c21	ZINC000409063327	263521686	/nfs/dbraw/zinc/52/16/86/263521686.db2.gz	KPEUCYYNYPAXDZ-UHFFFAOYSA-N	0	0	352.419	3.457	40	30		FGEBRN
C#CCN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O	ZINC000409237198	263545573	/nfs/dbraw/zinc/54/55/73/263545573.db2.gz	JXXORBIVISWIHM-ATVHPVEESA-N	0	0	356.447	3.355	40	30		FGEBRN
CN(C)S(=O)(=O)c1cc(/N=C/c2ccco2)ccc1N1CCCCC1	ZINC000059489794	493907679	/nfs/dbraw/zinc/90/76/79/493907679.db2.gz	OMGLZWUDLBEAJS-XMHGGMMESA-N	0	0	361.467	3.271	40	30		FGEBRN
Cc1sc(NC(=S)NC(=O)COc2ccccc2C)c(C#N)c1C	ZINC000014257833	494312849	/nfs/dbraw/zinc/31/28/49/494312849.db2.gz	KDSAZWQSUPPCNX-UHFFFAOYSA-N	0	0	359.476	3.437	40	30		FGEBRN
Cc1sc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c1C	ZINC000014257828	494313199	/nfs/dbraw/zinc/31/31/99/494313199.db2.gz	HWSQBMOALBKPOJ-UHFFFAOYSA-N	0	0	360.420	3.272	40	30		FGEBRN
CC(C)N=Nc1nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2s1	ZINC000057354594	494719816	/nfs/dbraw/zinc/71/98/16/494719816.db2.gz	HNYUJAKTDHXKDA-UHFFFAOYSA-N	0	0	359.499	3.409	40	30		FGEBRN
CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000118936713	495053726	/nfs/dbraw/zinc/05/37/26/495053726.db2.gz	IUQJWMVFSCOAHF-KFNUBTNKSA-N	0	0	362.510	3.087	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@@]3(C)[C@@H]1C2	ZINC000230140972	497102987	/nfs/dbraw/zinc/10/29/87/497102987.db2.gz	UHNRJNAOOCIDDJ-KWSMFNEFSA-N	0	0	360.450	3.164	40	30	biogenic,in-vitro	FGEBRN
CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000408719473	499594644	/nfs/dbraw/zinc/59/46/44/499594644.db2.gz	PUOZFWQDQFQMQI-INIZCTEOSA-N	0	0	357.391	3.237	40	30		FGEBRN
CC/N=C1/S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1CC	ZINC000408929531	499595443	/nfs/dbraw/zinc/59/54/43/499595443.db2.gz	KQMTXGMGLRHNKI-LUOFJIKJSA-N	0	0	355.257	3.467	40	30		FGEBRN
C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OCC)cc1	ZINC000224591862	518813973	/nfs/dbraw/zinc/81/39/73/518813973.db2.gz	UEAPDDCQFQXPOO-UHFFFAOYSA-N	0	0	361.419	3.195	40	30		FGEBRN
COCc1cc(C)nc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)c1C#N	ZINC000033930635	522916868	/nfs/dbraw/zinc/91/68/68/522916868.db2.gz	JGKUFCMHYZIOQO-UWVJOHFNSA-N	0	0	359.773	3.416	40	30		FGEBRN
COc1cccc(-c2ccc(C#N)c(SCCN3CCOCC3)n2)c1	ZINC000020528351	525713950	/nfs/dbraw/zinc/71/39/50/525713950.db2.gz	OMKSQEIZQOVEPS-UHFFFAOYSA-N	0	0	355.463	3.053	40	30		FGEBRN
C=CCOc1ccc(Br)cc1C=NN1C(=S)N=NC1CC	ZINC000408879393	570694076	/nfs/dbraw/zinc/69/40/76/570694076.db2.gz	FRAHDTISWWPGGX-CXUHLZMHSA-N	0	0	367.272	3.339	40	30		FGEBRN
C#CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000408936269	570701222	/nfs/dbraw/zinc/70/12/22/570701222.db2.gz	OYNQYWJPQXFPJW-PDGQHHTCSA-N	0	0	366.804	3.445	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Cl)C1=O	ZINC000409056364	570716863	/nfs/dbraw/zinc/71/68/63/570716863.db2.gz	LRRGQKPBPVHUSA-RIYZIHGNSA-N	0	0	351.811	3.417	40	30		FGEBRN
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(C)cc2)S1	ZINC000409087793	570721592	/nfs/dbraw/zinc/72/15/92/570721592.db2.gz	ZQPQOMIIJUEPSE-KAMYIIQDSA-N	0	0	359.447	3.343	40	30		FGEBRN
C=CCOC[C@@H]1C[C@@H]2OCCN(C(=O)c3ccc4ncccc4c3)[C@H]2C1	ZINC000253373771	120317961	/nfs/dbraw/zinc/31/79/61/120317961.db2.gz	KBKQAEYDAQDQLY-YSSFQJQWSA-N	0	0	352.434	3.057	40	30		FGEBRN
C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCCOC)c1	ZINC000219783460	210175234	/nfs/dbraw/zinc/17/52/34/210175234.db2.gz	JFEFUCMYRDABHT-UHFFFAOYSA-N	0	0	368.433	3.270	40	30		FGEBRN
C=CCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1	ZINC000113966112	210169663	/nfs/dbraw/zinc/16/96/63/210169663.db2.gz	XPUKLYOQIPZTPH-UHFFFAOYSA-N	0	0	372.490	3.185	40	30		FGEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	ZINC000019460739	210157139	/nfs/dbraw/zinc/15/71/39/210157139.db2.gz	BTWOHIIKTHRZBZ-JTSKRJEESA-N	0	0	370.468	3.493	40	30		FGEBRN
C#CCCOC(=O)N1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1	ZINC000019117014	210156747	/nfs/dbraw/zinc/15/67/47/210156747.db2.gz	SUTCBEJKZIKVBI-LBPRGKRZSA-N	0	0	366.343	3.006	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl	ZINC000020455059	210155333	/nfs/dbraw/zinc/15/53/33/210155333.db2.gz	TUTVAJQTIWRNTL-UHFFFAOYSA-N	0	0	364.854	3.365	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218391331	222681045	/nfs/dbraw/zinc/68/10/45/222681045.db2.gz	BKQLFPNIVKCSPT-SQNIBIBYSA-N	0	0	361.850	3.436	40	30		FGEBRN
C=CCn1c2cc(OC)c(OC)cc2c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000013634553	210143793	/nfs/dbraw/zinc/14/37/93/210143793.db2.gz	KUXRPEIEFXVTRS-UHFFFAOYSA-N	0	0	372.808	3.009	40	30		FGEBRN
COc1cc(/C=C/C(=O)c2cc(C)nn2C)cc(Br)c1O	ZINC000006922175	210090227	/nfs/dbraw/zinc/09/02/27/210090227.db2.gz	VROZBMIKBWFIRI-SNAWJCMRSA-N	0	0	351.200	3.101	40	30		FGEBRN
CC(Nc1cc(C)nn1Cc1ccc(C)cc1)=C1C(=O)C=C(C)OC1=O	ZINC000101406649	210085991	/nfs/dbraw/zinc/08/59/91/210085991.db2.gz	NNYZSNSBWMDWII-XDJHFCHBSA-N	0	0	351.406	3.264	40	30		FGEBRN
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccc(F)c1)O3	ZINC000004451194	219576163	/nfs/dbraw/zinc/57/61/63/219576163.db2.gz	QOXYKXOQFVXHFB-RGCFKVTRSA-N	0	0	350.353	3.335	40	30		FGEBRN
CC1=C(C(=O)OCCC#N)[C@@H](c2cccnc2)C2=C(N1)c1ccccc1C2=O	ZINC000033691818	211611628	/nfs/dbraw/zinc/61/16/28/211611628.db2.gz	PKGMTTMCEJLAGV-GOSISDBHSA-N	0	0	371.396	3.107	40	30		FGEBRN
COc1ccc(/C=C2\CCS(=O)(=O)c3ccccc3C2=O)cc1OC	ZINC000031895395	211539735	/nfs/dbraw/zinc/53/97/35/211539735.db2.gz	OCQXVXYYDHSRDG-SDNWHVSQSA-N	0	0	358.415	3.148	40	30		FGEBRN
CC1=CC(=O)/C(=C/NC(=S)Nc2cc(Cl)ccc2Cl)C(=O)O1	ZINC000017223577	211182548	/nfs/dbraw/zinc/18/25/48/211182548.db2.gz	HVBDOSGURLLIDF-TWGQIWQCSA-N	0	0	357.218	3.193	40	30		FGEBRN
C/C(=N/NC(=S)N1CCC(c2ccccc2)CC1)c1nccnc1C	ZINC000017140649	211180870	/nfs/dbraw/zinc/18/08/70/211180870.db2.gz	NPBSVADWEFQYEE-JCMHNJIXSA-N	0	0	353.495	3.263	40	30		FGEBRN
S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1cccc2cccnc21	ZINC000001868724	210373616	/nfs/dbraw/zinc/37/36/16/210373616.db2.gz	TVQUHDXLPTTXQW-KEBDBYFISA-N	0	0	350.403	3.284	40	30		FGEBRN
O=C1c2c(O)ccc(Cl)c2C(=O)C(Br)=C1Br	ZINC000001572734	210359744	/nfs/dbraw/zinc/35/97/44/210359744.db2.gz	QIXOWTMFFRFRIP-UHFFFAOYSA-N	0	0	366.392	3.426	40	30		FGEBRN
C[C@@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	ZINC000000900595	210288273	/nfs/dbraw/zinc/28/82/73/210288273.db2.gz	HCYXJDLNWMBUHZ-RDDDGLTNSA-N	0	0	366.759	3.066	40	30		FGEBRN
CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1	ZINC000100973090	222259657	/nfs/dbraw/zinc/25/96/57/222259657.db2.gz	YYQNGSHAMLPABX-UWZWCOGJSA-N	0	0	366.489	3.129	40	30		FGEBRN
C=CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	ZINC000101219104	222265558	/nfs/dbraw/zinc/26/55/58/222265558.db2.gz	HINYVMWKBRTGCT-VRTBNJGNSA-N	0	0	372.471	3.234	40	30		FGEBRN
CO/C(=N\C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC	ZINC000102947352	222314630	/nfs/dbraw/zinc/31/46/30/222314630.db2.gz	UHNRHGZAKPZESV-KEGYOGFESA-N	0	0	362.476	3.496	40	30		FGEBRN
C=CCOc1c(Br)cc(/C=C2\N=C(C)OC2=O)cc1OC	ZINC000004607146	263334881	/nfs/dbraw/zinc/33/48/81/263334881.db2.gz	BSICADCZGKQUKV-GHXNOFRVSA-N	0	0	352.184	3.339	40	30		FGEBRN
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	ZINC000216769025	263457823	/nfs/dbraw/zinc/45/78/23/263457823.db2.gz	ZNRMRZVVCVNUFC-OAQYLSRUSA-N	0	0	359.433	3.296	40	30		FGEBRN
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\SC(=N)NC2=O)cc1	ZINC000408894102	263504180	/nfs/dbraw/zinc/50/41/80/263504180.db2.gz	IYHRMLPQVCVVKE-CHHVJCJISA-N	0	0	366.358	3.397	40	30		FGEBRN
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(CC)cc2)C1=O	ZINC000409078625	263522969	/nfs/dbraw/zinc/52/29/69/263522969.db2.gz	HQAWBIXHNINNLL-KAMYIIQDSA-N	0	0	359.447	3.207	40	30		FGEBRN
COC(=O)CN(Cc1c(C#N)oc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000004160050	493867478	/nfs/dbraw/zinc/86/74/78/493867478.db2.gz	CXVVAXWHEXVZBP-UHFFFAOYSA-N	0	0	365.345	3.392	40	30		FGEBRN
CC[C@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O	ZINC000004538160	493881741	/nfs/dbraw/zinc/88/17/41/493881741.db2.gz	NHQFTRXRQNYBRY-IUDBQGPFSA-N	0	0	366.489	3.351	40	30		FGEBRN
COc1cccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c1	ZINC000004689583	493887671	/nfs/dbraw/zinc/88/76/71/493887671.db2.gz	DIHNNJYQROBDAC-LNKGRISISA-N	0	0	362.389	3.204	40	30		FGEBRN
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)cc1	ZINC000004797362	493892945	/nfs/dbraw/zinc/89/29/45/493892945.db2.gz	NNGBVDMCFAWBHN-ANZHJZINSA-N	0	0	363.461	3.064	40	30		FGEBRN
COc1cc(C=NNc2cc(C)nc3ccccc32)cc(OC)c1OC	ZINC000005006938	493908123	/nfs/dbraw/zinc/90/81/23/493908123.db2.gz	MMDRJXPEOAWMAA-CIAFOILYSA-N	0	0	351.406	3.437	40	30		FGEBRN
C=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccccc2)CC1=O	ZINC000060016560	493912180	/nfs/dbraw/zinc/91/21/80/493912180.db2.gz	ZPXCRBBIHGGEAR-BBPUYGCGSA-N	0	0	352.478	3.110	40	30		FGEBRN
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000006407181	493963158	/nfs/dbraw/zinc/96/31/58/493963158.db2.gz	OSDFWBPEUJAFPC-GOSISDBHSA-N	0	0	367.401	3.220	40	30		FGEBRN
CN(C)c1cc[n+](-c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1	ZINC000006437319	493964203	/nfs/dbraw/zinc/96/42/03/493964203.db2.gz	KPRZGXWSEJRIHL-HXUWFJFHSA-N	0	0	358.421	3.142	40	30		FGEBRN
C=CCOc1c(Br)cc(C(=S)N2CCOCC2)cc1OC	ZINC000033728235	494063287	/nfs/dbraw/zinc/06/32/87/494063287.db2.gz	BYNCKMNFMMHFAT-UHFFFAOYSA-N	0	0	372.284	3.030	40	30		FGEBRN
CS(=O)(=O)c1c[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1	ZINC000095097893	494960877	/nfs/dbraw/zinc/96/08/77/494960877.db2.gz	KUUYUUANKGZKFF-UHFFFAOYSA-N	0	0	369.265	3.075	40	30		FGEBRN
COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1	ZINC000096928002	495015527	/nfs/dbraw/zinc/01/55/27/495015527.db2.gz	IUAPANPDPMBIST-FQEVSTJZSA-N	0	0	366.417	3.491	40	30		FGEBRN
Cc1ccc(COc2ccc(/C=C/C(=O)ON3C(=O)CCC3=O)cc2)cc1	ZINC000097940156	495046442	/nfs/dbraw/zinc/04/64/42/495046442.db2.gz	NVXIUURAJYRTMD-MDWZMJQESA-N	0	0	365.385	3.194	40	30		FGEBRN
N#CC1(C#N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1	ZINC000218441575	497001936	/nfs/dbraw/zinc/00/19/36/497001936.db2.gz	GTCSQDMZECGCNI-HZPDHXFCSA-N	0	0	360.797	3.452	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	ZINC000218485600	497004038	/nfs/dbraw/zinc/00/40/38/497004038.db2.gz	VPNHDICAGDPECL-KSZLIROESA-N	0	0	359.834	3.297	40	30		FGEBRN
N#C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000225641474	497069486	/nfs/dbraw/zinc/06/94/86/497069486.db2.gz	PWULOKMHANZEPC-KBRIMQKVSA-N	0	0	361.806	3.148	40	30		FGEBRN
N#Cc1nn(-c2ccccc2Cl)nc1N1CCN(c2ccccc2)CC1	ZINC000256046554	497382324	/nfs/dbraw/zinc/38/23/24/497382324.db2.gz	GQAQDGYYOIHYRH-UHFFFAOYSA-N	0	0	364.840	3.119	40	30		FGEBRN
Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c(C)c1	ZINC000256049145	497382870	/nfs/dbraw/zinc/38/28/70/497382870.db2.gz	YKJJOUMVRWQIIL-UHFFFAOYSA-N	0	0	358.449	3.082	40	30		FGEBRN
CC1=NN(C(=O)COc2ccccc2C#N)[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000408563593	499592091	/nfs/dbraw/zinc/59/20/91/499592091.db2.gz	PFVHVIHUDXZPQU-IBGZPJMESA-N	0	0	369.808	3.044	40	30		FGEBRN
CCOc1c(Cl)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1OC	ZINC000409097956	499595782	/nfs/dbraw/zinc/59/57/82/499595782.db2.gz	OKHYKFZGUQLIBF-GIJQJNRQSA-N	0	0	350.762	3.497	40	30		FGEBRN
C=CCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O	ZINC000409069992	499595848	/nfs/dbraw/zinc/59/58/48/499595848.db2.gz	MNHJRDRBZDFEPI-XGICHPGQSA-N	0	0	368.208	3.400	40	30		FGEBRN
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224902632	518816638	/nfs/dbraw/zinc/81/66/38/518816638.db2.gz	XOLAHPSYOXBAHM-UHFFFAOYSA-N	0	0	374.462	3.425	40	30		FGEBRN
C=CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000224048145	518934423	/nfs/dbraw/zinc/93/44/23/518934423.db2.gz	IPCJQAUGDDGYNK-UHFFFAOYSA-N	0	0	364.854	3.365	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC(C)CC2)n1	ZINC000225924119	518950253	/nfs/dbraw/zinc/95/02/53/518950253.db2.gz	QXJWMCCESUIACB-UHFFFAOYSA-N	0	0	374.558	3.176	40	30		FGEBRN
CCN(CCO)c1ccc(/N=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1	ZINC000016678682	521123767	/nfs/dbraw/zinc/12/37/67/521123767.db2.gz	HJBCGBGTOSPRFK-XDOYNYLZSA-N	0	0	364.449	3.309	40	30		FGEBRN
COc1ccc(NC(=S)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000006370262	524663504	/nfs/dbraw/zinc/66/35/04/524663504.db2.gz	LQVQUDUEYADGJY-YBFXNURJSA-N	0	0	374.422	3.323	40	30		FGEBRN
O=C(COc1ccc(Cl)cc1Cl)ON1C(=O)c2ccccc2C1=O	ZINC000003194528	526955985	/nfs/dbraw/zinc/95/59/85/526955985.db2.gz	WMMDZNBZFWTDEK-UHFFFAOYSA-N	0	0	366.156	3.127	40	30		FGEBRN
CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O	ZINC000409238351	571319501	/nfs/dbraw/zinc/31/95/01/571319501.db2.gz	NCROJBFNAKQMIZ-XDHOZWIPSA-N	0	0	361.401	3.440	40	30		FGEBRN
C#CCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21	ZINC000016136184	210145665	/nfs/dbraw/zinc/14/56/65/210145665.db2.gz	LMDYVNJMNUUCHS-UNOMPAQXSA-N	0	0	355.422	3.045	40	30		FGEBRN
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2cccs2)cc1	ZINC000000808057	219325104	/nfs/dbraw/zinc/32/51/04/219325104.db2.gz	WFDVLWCYVHMLQD-MRXNPFEDSA-N	0	0	371.414	3.414	40	30		FGEBRN
COc1ccc(C(=O)NCCNc2nc3ccc(C)cc3cc2C#N)cc1	ZINC000012480931	220000251	/nfs/dbraw/zinc/00/02/51/220000251.db2.gz	MYSIBLUCWQTYKC-UHFFFAOYSA-N	0	0	360.417	3.265	40	30		FGEBRN
C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O	ZINC000013564671	220075287	/nfs/dbraw/zinc/07/52/87/220075287.db2.gz	UJDXNMHLQACVKA-GASCZTMLSA-N	0	0	367.424	3.316	40	30		FGEBRN
N#CCCn1cc(/C=N/NC(N)=S)c(-c2ccc(-c3ccccc3)cc2)n1	ZINC000013683900	220086308	/nfs/dbraw/zinc/08/63/08/220086308.db2.gz	PWIXYBHTQMQRBX-YDZHTSKRSA-N	0	0	374.473	3.298	40	30		FGEBRN
OC/C(I)=C/[C@](F)(OC(F)(F)F)C(F)(F)F	ZINC000016159363	211156664	/nfs/dbraw/zinc/15/66/64/211156664.db2.gz	FXPCHKRRLLUOSG-HNHRSYQESA-N	0	0	367.986	3.062	40	30		FGEBRN
CO[C@@H]1CC[C@H]2CC[C@@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1	ZINC000101043031	222261050	/nfs/dbraw/zinc/26/10/50/222261050.db2.gz	YDOUAVFJRIGNQS-MUJYYYPQSA-N	0	0	350.484	3.245	40	30		FGEBRN
C#CC[N@H+]1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)C1	ZINC000019529969	263374330	/nfs/dbraw/zinc/37/43/30/263374330.db2.gz	MBPCREBAYFPQCK-SIKLNZKXSA-N	0	0	368.477	3.157	40	30		FGEBRN
COc1cccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1	ZINC000408801103	263496187	/nfs/dbraw/zinc/49/61/87/263496187.db2.gz	SVQIXVUKJUTSJP-CWGWECIMSA-N	0	0	368.433	3.120	40	30		FGEBRN
O=C(c1ccco1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccnc1	ZINC000004092038	493864345	/nfs/dbraw/zinc/86/43/45/493864345.db2.gz	WHBCRYGEYLKMGQ-SFHVURJKSA-N	0	0	360.369	3.453	40	30		FGEBRN
N#CC(=NNc1ccc(Br)cc1)c1nnc2n1CCCCC2	ZINC000005715283	493940912	/nfs/dbraw/zinc/94/09/12/493940912.db2.gz	HYBZFXVYFOZAGM-UYRXBGFRSA-N	0	0	359.231	3.107	40	30		FGEBRN
CCCCN(CCC#N)CCOCCOCCN(CCC#N)CCCC	ZINC000033366246	494060015	/nfs/dbraw/zinc/06/00/15/494060015.db2.gz	ZGZYQXUMIGMQEF-UHFFFAOYSA-N	0	0	366.550	3.051	40	30		FGEBRN
COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2OC)cc1	ZINC000033851357	494063360	/nfs/dbraw/zinc/06/33/60/494063360.db2.gz	QNIJVAWNAQWIBA-OCKHKDLRSA-N	0	0	364.785	3.183	40	30		FGEBRN
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000038963133	494119843	/nfs/dbraw/zinc/11/98/43/494119843.db2.gz	VSGTWMOZGFNRPM-IIEHVVJPSA-N	0	0	360.494	3.055	40	30	in-vitro	FGEBRN
Cc1ccc(N2C(=O)[C@H]3[C@H](C#N)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1C	ZINC000009357329	494121964	/nfs/dbraw/zinc/12/19/64/494121964.db2.gz	SBYZGZPMKFVJRF-UWHLTILDSA-N	0	0	369.424	3.342	40	30		FGEBRN
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/NCc2ccc(Cl)cc2)c1	ZINC000010118967	494143418	/nfs/dbraw/zinc/14/34/18/494143418.db2.gz	NEWWPSIHTNEZGN-FYJGNVAPSA-N	0	0	374.828	3.209	40	30		FGEBRN
CC1(C)CC2=C(C(=O)C1)[C@H](c1ccccc1)n1c(=O)c3ccccc3c(=O)n12	ZINC000044138281	494340285	/nfs/dbraw/zinc/34/02/85/494340285.db2.gz	AEUWAHNOVHPROW-FQEVSTJZSA-N	0	0	372.424	3.366	40	30		FGEBRN
CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000056898819	494589811	/nfs/dbraw/zinc/58/98/11/494589811.db2.gz	HERCGHIBUWWDIX-CWNVBEKCSA-N	0	0	360.494	3.199	40	30	in-man	FGEBRN
C=CCOc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1	ZINC000047276434	494670212	/nfs/dbraw/zinc/67/02/12/494670212.db2.gz	YMEXVORAQBZRRU-UHFFFAOYSA-N	0	0	366.461	3.014	40	30		FGEBRN
N#Cc1cc(C[NH+]2CCC3(CC(Nc4ncccn4)C3)CC2)ccc1F	ZINC000108526304	494730014	/nfs/dbraw/zinc/73/00/14/494730014.db2.gz	PPDQMGDAOPKBBC-UHFFFAOYSA-N	0	0	351.429	3.344	40	30		FGEBRN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2C(=O)C1N=N1	ZINC000118927992	495053760	/nfs/dbraw/zinc/05/37/60/495053760.db2.gz	INKNBLYOCYSZNF-XYNCURNNSA-N	0	0	356.466	3.468	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)CO)cc1	ZINC000218363907	497002019	/nfs/dbraw/zinc/00/20/19/497002019.db2.gz	QPBVBOSGUGRZNH-KURKYZTESA-N	0	0	361.850	3.090	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218372805	497002770	/nfs/dbraw/zinc/00/27/70/497002770.db2.gz	QLWPPTGRGHFDHC-UFYCRDLUSA-N	0	0	355.459	3.481	40	30		FGEBRN
N#C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000242620182	497355750	/nfs/dbraw/zinc/35/57/50/497355750.db2.gz	PWULOKMHANZEPC-XYPHTWIQSA-N	0	0	361.806	3.148	40	30		FGEBRN
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc(O)cc1	ZINC000261361942	497407417	/nfs/dbraw/zinc/40/74/17/497407417.db2.gz	DPLASZKTJWNQLA-KRWDZBQOSA-O	0	0	365.438	3.093	40	30		FGEBRN
CC(C)[C@@H](CO)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccccn2)n1	ZINC000329061290	499030267	/nfs/dbraw/zinc/03/02/67/499030267.db2.gz	WQMYSSKJSPNUQO-LJQANCHMSA-N	0	0	374.448	3.005	40	30		FGEBRN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)o1	ZINC000408583266	499592578	/nfs/dbraw/zinc/59/25/78/499592578.db2.gz	SZHDFRHJNDJXHG-UHFFFAOYSA-N	0	0	371.809	3.387	40	30		FGEBRN
COc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1[N+](=O)[O-]	ZINC000408927862	499595385	/nfs/dbraw/zinc/59/53/85/499595385.db2.gz	SMQHVECAIMMFPP-RGEXLXHISA-N	0	0	358.350	3.228	40	30		FGEBRN
C=CCSC1=NN2[C@H](c3ccccc3N[C@@H]2c2ccc(C)o2)C(=O)N1	ZINC000588229266	506242840	/nfs/dbraw/zinc/24/28/40/506242840.db2.gz	QZJINFLDYOCMSE-CVEARBPZSA-N	0	0	354.435	3.375	40	30		FGEBRN
N#Cc1ccc(Nc2cnc([C@H]3CCCCN3Cc3ccncc3)cn2)cn1	ZINC000585293684	507586820	/nfs/dbraw/zinc/58/68/20/507586820.db2.gz	JTFQINADNDPZBJ-HXUWFJFHSA-N	0	0	371.448	3.031	40	30		FGEBRN
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2cn[nH]c2)n1	ZINC000585295089	507587700	/nfs/dbraw/zinc/58/77/00/507587700.db2.gz	ZQAKCVGAAXWRMH-LJQANCHMSA-N	0	0	374.452	3.246	40	30		FGEBRN
C#CCOc1cccc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)c1	ZINC000036740674	518331557	/nfs/dbraw/zinc/33/15/57/518331557.db2.gz	YATWHSZWXGUHDO-HXUWFJFHSA-N	0	0	362.473	3.135	40	30		FGEBRN
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224801370	518821064	/nfs/dbraw/zinc/82/10/64/518821064.db2.gz	LXDQOXCGNYGJNJ-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
O=C(COc1ccc(/C=N\O)cc1Br)Nc1ccc(F)cc1	ZINC000108325896	568293502	/nfs/dbraw/zinc/29/35/02/568293502.db2.gz	HFTKOVNKZGECQB-LSCVHKIXSA-N	0	0	367.174	3.414	40	30		FGEBRN
Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408966443	570703259	/nfs/dbraw/zinc/70/32/59/570703259.db2.gz	MTKQPHCCJMQYJC-MTJSOVHGSA-N	0	0	369.446	3.198	40	30		FGEBRN
CCN(CC)S(=O)(=O)c1ccc(N=NC2CCCc3ccccc32)nc1	ZINC000034867554	210253466	/nfs/dbraw/zinc/25/34/66/210253466.db2.gz	NETMQTWYSWMZSA-UZYVYHOESA-N	0	0	372.494	3.265	40	30		FGEBRN
N#Cc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)cc1	ZINC000306141600	210058082	/nfs/dbraw/zinc/05/80/82/210058082.db2.gz	WBUWTWPEAVGOSF-OALUTQOASA-N	0	0	369.428	3.076	40	30		FGEBRN
C=CCNS(=O)(=O)c1cc(Br)c2cccc3c2c1CC3	ZINC000041105699	210044943	/nfs/dbraw/zinc/04/49/43/210044943.db2.gz	ZVGITHSLGAAGMQ-UHFFFAOYSA-N	0	0	352.253	3.165	40	30		FGEBRN
CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N	ZINC000225770027	222867834	/nfs/dbraw/zinc/86/78/34/222867834.db2.gz	UOSTYHRSTOYQDB-UHFFFAOYSA-N	0	0	364.401	3.170	40	30		FGEBRN
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@@H]2c1ccc(Cl)cc1	ZINC000010339088	210870985	/nfs/dbraw/zinc/87/09/85/210870985.db2.gz	LZGZJPZUYVGDDS-CYBMUJFWSA-N	0	0	369.856	3.495	40	30		FGEBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	ZINC000001595773	210362342	/nfs/dbraw/zinc/36/23/42/210362342.db2.gz	RQUCMIANFRTAJB-LZYBPNLTSA-N	0	0	374.205	3.214	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1	ZINC000225923935	132249774	/nfs/dbraw/zinc/24/97/74/132249774.db2.gz	TWBLPMRNQIWRPJ-GJZGRUSLSA-N	0	0	374.558	3.032	40	30		FGEBRN
C=CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	ZINC000054284357	132302601	/nfs/dbraw/zinc/30/26/01/132302601.db2.gz	VSSUASMUGAKLQJ-UHFFFAOYSA-N	0	0	352.434	3.018	40	30		FGEBRN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2Cl)CC1	ZINC000007270343	132304869	/nfs/dbraw/zinc/30/48/69/132304869.db2.gz	BPOYYXLDOVJXDQ-UHFFFAOYSA-N	0	0	370.796	3.082	40	30		FGEBRN
Cn1c(CO[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2F)nc2ccccc21	ZINC000096112193	222029871	/nfs/dbraw/zinc/02/98/71/222029871.db2.gz	SYZIYWCQKVQBDR-XLIONFOSSA-N	0	0	364.424	3.184	40	30	biogenic,in-vitro	FGEBRN
C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1C(=O)[C@@H](CO)N(C)C1=O	ZINC000100067438	222234582	/nfs/dbraw/zinc/23/45/82/222234582.db2.gz	YHKYFYCSTJGMID-JWROMMBDSA-N	0	0	373.493	3.021	40	30	biogenic,in-vitro	FGEBRN
CC1=CC(=O)C(=CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C(=O)O1	ZINC000104301030	222355005	/nfs/dbraw/zinc/35/50/05/222355005.db2.gz	LZYARKAWIVHQAT-KPKJPENVSA-N	0	0	357.347	3.044	40	30		FGEBRN
CCc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000005408666	263341214	/nfs/dbraw/zinc/34/12/14/263341214.db2.gz	UORKTBQCDCUYHP-SFHVURJKSA-N	0	0	367.401	3.132	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)c1	ZINC000408701268	263485736	/nfs/dbraw/zinc/48/57/36/263485736.db2.gz	VERJUMPPDWTIKF-UHFFFAOYSA-N	0	0	360.435	3.265	40	30		FGEBRN
C#CCOc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cccc1OC	ZINC000409041348	263519397	/nfs/dbraw/zinc/51/93/97/263519397.db2.gz	ZXGKFHCVPIWPHL-GZIVZEMBSA-N	0	0	372.240	3.421	40	30		FGEBRN
CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	ZINC000409229170	263543487	/nfs/dbraw/zinc/54/34/87/263543487.db2.gz	KRIKHSNXKHMDMB-PXLXIMEGSA-N	0	0	368.433	3.459	40	30		FGEBRN
CC[C@H](C)Oc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cccc1OC	ZINC000409355015	263551737	/nfs/dbraw/zinc/55/17/37/263551737.db2.gz	BEPOLWSYZGNDOS-ZDUSSCGKSA-N	0	0	367.405	3.170	40	30		FGEBRN
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1cccc(F)c1)O3	ZINC000004451196	493877510	/nfs/dbraw/zinc/87/75/10/493877510.db2.gz	QOXYKXOQFVXHFB-OHQAAIJDSA-N	0	0	350.353	3.335	40	30		FGEBRN
CC1=CC(=O)[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@H]2S1(=O)=O	ZINC000004690292	493887645	/nfs/dbraw/zinc/88/76/45/493887645.db2.gz	HIZIVFAFGQVLQJ-PPOOEBMNSA-N	0	0	362.491	3.378	40	30		FGEBRN
CC(=O)c1nn(-c2cccc(Cl)c2)/c(=N/N=C/c2cccc(O)c2)s1	ZINC000005726506	493940752	/nfs/dbraw/zinc/94/07/52/493940752.db2.gz	OQZOONJZHZIRNZ-HCDAPJTOSA-N	0	0	372.837	3.430	40	30		FGEBRN
O=[N+]([O-])c1cc(/C=N/NCc2ccccc2Cl)ccc1N1CCOCC1	ZINC000008811716	494106176	/nfs/dbraw/zinc/10/61/76/494106176.db2.gz	SSIQYBOXPDAIEG-UDWIEESQSA-N	0	0	374.828	3.209	40	30		FGEBRN
COC(=O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1OC	ZINC000008811843	494106574	/nfs/dbraw/zinc/10/65/74/494106574.db2.gz	WMTCCYQETMJHIH-KEBDBYFISA-N	0	0	362.813	3.024	40	30		FGEBRN
CCc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccc(F)cc1	ZINC000040396712	494141792	/nfs/dbraw/zinc/14/17/92/494141792.db2.gz	BLBLWTGIHJYXKH-UHFFFAOYSA-N	0	0	368.437	3.343	40	30		FGEBRN
CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3ncnn32)cc1	ZINC000010339483	494150061	/nfs/dbraw/zinc/15/00/61/494150061.db2.gz	YLLFAILNWWSGEE-DJJJIMSYSA-N	0	0	351.454	3.392	40	30		FGEBRN
CC(C)(C)c1ccc(-c2nc(C#N)c(N[C@H]3CCS(=O)(=O)C3)o2)cc1	ZINC000027562481	494873357	/nfs/dbraw/zinc/87/33/57/494873357.db2.gz	KDEGIPZVVDCMEG-AWEZNQCLSA-N	0	0	359.451	3.110	40	30		FGEBRN
COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1	ZINC000096928003	495015468	/nfs/dbraw/zinc/01/54/68/495015468.db2.gz	IUAPANPDPMBIST-HXUWFJFHSA-N	0	0	366.417	3.491	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218093576	497000337	/nfs/dbraw/zinc/00/03/37/497000337.db2.gz	OSDRMGRTSKWCQG-UFYCRDLUSA-N	0	0	371.458	3.181	40	30		FGEBRN
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC(C)CC2)cc1	ZINC000225858314	497077384	/nfs/dbraw/zinc/07/73/84/497077384.db2.gz	QALKSNRPOTVVNR-UHFFFAOYSA-N	0	0	350.466	3.100	40	30		FGEBRN
C=CCn1nc(-c2cccc(Br)c2)cc(C(=O)OCC)c1=O	ZINC000225965282	497079549	/nfs/dbraw/zinc/07/95/49/497079549.db2.gz	VYDLXYZJMOCWJM-UHFFFAOYSA-N	0	0	363.211	3.036	40	30		FGEBRN
N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CC[C@@H](c2ccccc2)C1	ZINC000256049456	497382709	/nfs/dbraw/zinc/38/27/09/497382709.db2.gz	ZZXWLUHVYFYNLM-OAHLLOKOSA-N	0	0	360.377	3.041	40	30		FGEBRN
CC(=O)N1CCC(=NOC(=O)C(c2ccccc2)c2ccccc2)CC1	ZINC000408607204	499592877	/nfs/dbraw/zinc/59/28/77/499592877.db2.gz	JUZGUMUTLLNPHH-UHFFFAOYSA-N	0	0	350.418	3.360	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2cccn2-c2ccc(O)cc2)c([N+](=O)[O-])c1	ZINC000409017314	499595634	/nfs/dbraw/zinc/59/56/34/499595634.db2.gz	MQWOQHJXVVRRMI-WOJGMQOQSA-N	0	0	367.321	3.445	40	30		FGEBRN
N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccncc3)n2)cn1	ZINC000585295094	507588270	/nfs/dbraw/zinc/58/82/70/507588270.db2.gz	ZWDUOCAVEYVPPJ-IBGZPJMESA-N	0	0	357.421	3.219	40	30		FGEBRN
C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1	ZINC000224918846	518817037	/nfs/dbraw/zinc/81/70/37/518817037.db2.gz	BNSFCEVITZJVNQ-UHFFFAOYSA-N	0	0	350.371	3.424	40	30		FGEBRN
COc1cc2c(cc1OC)C(=NNc1cccc(C(F)(F)F)c1)C(=O)N2	ZINC000223737146	523022683	/nfs/dbraw/zinc/02/26/83/523022683.db2.gz	LTCFJERIIFIIEG-UHFFFAOYSA-N	0	0	365.311	3.491	40	30		FGEBRN
Cc1c(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cnn1C	ZINC000225393575	525517385	/nfs/dbraw/zinc/51/73/85/525517385.db2.gz	SUPKUNNLCNBJFL-HWKANZROSA-N	0	0	373.206	3.494	40	30		FGEBRN
Cc1cc(-c2ccccc2)n(-c2cc(N=NCc3cccnc3)ncn2)n1	ZINC000004952799	526043507	/nfs/dbraw/zinc/04/35/07/526043507.db2.gz	DGPYTWZYBHQNIX-ZMOGYAJESA-N	0	0	355.405	3.479	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@H]1C2	ZINC000253407525	526209609	/nfs/dbraw/zinc/20/96/09/526209609.db2.gz	WNQOWPFARWIGAD-FBGZVIRMSA-N	0	0	362.466	3.147	40	30	biogenic,in-vitro	FGEBRN
N#CCc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1	ZINC000225826903	526484105	/nfs/dbraw/zinc/48/41/05/526484105.db2.gz	OULRQUAIOKJFQF-UHFFFAOYSA-N	0	0	355.448	3.351	40	30		FGEBRN
C#CCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	ZINC000409042589	570715454	/nfs/dbraw/zinc/71/54/54/570715454.db2.gz	NQIZJUIXYLQZQO-RVDMUPIBSA-N	0	0	353.359	3.055	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O	ZINC000409125939	570729793	/nfs/dbraw/zinc/72/97/93/570729793.db2.gz	KUGNVWBWJBOLDZ-LFIBNONCSA-N	0	0	366.373	3.120	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1	ZINC000013678324	210144408	/nfs/dbraw/zinc/14/44/08/210144408.db2.gz	JYUSAQQJLPLFIT-UHFFFAOYSA-N	0	0	374.462	3.290	40	30		FGEBRN
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000000794992	219323033	/nfs/dbraw/zinc/32/30/33/219323033.db2.gz	SZWWBNLWNZJLQP-MAUKXSAKSA-N	0	0	367.401	3.345	40	30		FGEBRN
CCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N	ZINC000001355174	219397474	/nfs/dbraw/zinc/39/74/74/219397474.db2.gz	ODFSEAWIPBVYCB-UHFFFAOYSA-N	0	0	359.451	3.084	40	30		FGEBRN
COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccccc1	ZINC000225860960	222876603	/nfs/dbraw/zinc/87/66/03/222876603.db2.gz	OIPPWVJYHHSZTK-UHFFFAOYSA-N	0	0	360.417	3.180	40	30		FGEBRN
CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1C(=O)C[C@H](C)CC1=N2	ZINC000022608562	211356359	/nfs/dbraw/zinc/35/63/59/211356359.db2.gz	CCJVHVYHKBTEME-QLJPJBMISA-N	0	0	356.451	3.364	40	30		FGEBRN
COc1cc(C2C(C(C)=O)=C(C)NC(C)=C2C(C)=O)cc(OC)c1OC	ZINC000020568705	211286964	/nfs/dbraw/zinc/28/69/64/211286964.db2.gz	YEGRQKHCSFNYRU-UHFFFAOYSA-N	0	0	359.422	3.125	40	30		FGEBRN
O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12	ZINC000019959898	211262988	/nfs/dbraw/zinc/26/29/88/211262988.db2.gz	FBSXJLNPHRQVAO-VOJFVSQTSA-N	0	0	350.353	3.426	40	30		FGEBRN
N#Cc1cc2c(nc1[S@@](=O)Cc1nc3ccccc3[nH]1)CCCCC2	ZINC000006414354	210672073	/nfs/dbraw/zinc/67/20/73/210672073.db2.gz	ZZPIXNGZMICURJ-RUZDIDTESA-N	0	0	350.447	3.406	40	30		FGEBRN
COc1ccc(/C=C2/CCS(=O)(=O)c3ccccc3C2=O)cc1OC	ZINC000001652803	210364257	/nfs/dbraw/zinc/36/42/57/210364257.db2.gz	OCQXVXYYDHSRDG-KAMYIIQDSA-N	0	0	358.415	3.148	40	30		FGEBRN
CC(=O)OC1CCC(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000071785559	221376655	/nfs/dbraw/zinc/37/66/55/221376655.db2.gz	DCFBQXRYZRWTLF-SXGWCWSVSA-N	0	0	350.331	3.023	40	30		FGEBRN
N#Cc1cccc(N2C[C@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)c1	ZINC000096238880	222094266	/nfs/dbraw/zinc/09/42/66/222094266.db2.gz	LTLCZRTUWFECKU-OAQYLSRUSA-N	0	0	366.465	3.029	40	30		FGEBRN
N#CCCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(Cl)cc2)C1=O	ZINC000002364962	263144780	/nfs/dbraw/zinc/14/47/80/263144780.db2.gz	ZDWVABVNEDMRQP-HXUWFJFHSA-N	0	0	368.820	3.451	40	30		FGEBRN
COc1ccc(/C=N\N=C2\S[C@H](C)C(=O)N2Cc2ccco2)c(OC)c1	ZINC000009189572	263359754	/nfs/dbraw/zinc/35/97/54/263359754.db2.gz	CZYKRHNTVYQSHZ-UZRCVPQUSA-N	0	0	373.434	3.151	40	30		FGEBRN
C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)s1	ZINC000010389885	263365400	/nfs/dbraw/zinc/36/54/00/263365400.db2.gz	SMRXUTBYSIARLF-JTQLQIEISA-N	0	0	351.453	3.231	40	30		FGEBRN
COc1cc(C=O)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000020393327	263379671	/nfs/dbraw/zinc/37/96/71/263379671.db2.gz	UQGKWTGTTCGPBC-UHFFFAOYSA-N	0	0	370.430	3.337	40	30		FGEBRN
CCOC(=O)c1ccc(-c2ccc(C=NN3C(=O)CSC3=S)o2)cc1	ZINC000002621544	493812540	/nfs/dbraw/zinc/81/25/40/493812540.db2.gz	LSDYEROUCHGHKA-GIJQJNRQSA-N	0	0	374.443	3.318	40	30		FGEBRN
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccc(Cl)cc2)cc1	ZINC000005218347	493920205	/nfs/dbraw/zinc/92/02/05/493920205.db2.gz	DXODLIYWJRUASX-SFQUDFHCSA-N	0	0	367.840	3.410	40	30		FGEBRN
CC(=O)/C=C/C=C/c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	ZINC000005601781	493936649	/nfs/dbraw/zinc/93/66/49/493936649.db2.gz	RCKPFEXECYJLFV-PJFGLRATSA-N	0	0	368.385	3.130	40	30		FGEBRN
CCC/C(=N\OCC)C1=C(N2CCCC2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000005614622	493937302	/nfs/dbraw/zinc/93/73/02/493937302.db2.gz	QDOYOCJWZWVXMD-JPOGYNCRSA-N	0	0	364.486	3.317	40	30		FGEBRN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)c(OC)c1	ZINC000007275303	494012954	/nfs/dbraw/zinc/01/29/54/494012954.db2.gz	OTHJEZSYFBDEGY-PXNMLYILSA-N	0	0	372.402	3.007	40	30		FGEBRN
COc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1ccccc1OC	ZINC000085409433	494122989	/nfs/dbraw/zinc/12/29/89/494122989.db2.gz	XMAVVRUGTYNXAO-KRWDZBQOSA-N	0	0	374.400	3.421	40	30		FGEBRN
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NS(=O)(=O)c2ccccc2)o1	ZINC000015145050	494342111	/nfs/dbraw/zinc/34/21/11/494342111.db2.gz	OSUOVQQYGUYEJB-LDADJPATSA-N	0	0	371.374	3.167	40	30		FGEBRN
Cn1ncc(Br)c1CN=Nc1c(F)c(F)cc(F)c1F	ZINC000027062136	494851003	/nfs/dbraw/zinc/85/10/03/494851003.db2.gz	VGTVGYUMJNFMOY-HAVNEIBRSA-N	0	0	351.101	3.185	40	30		FGEBRN
CCCC(NC)=C1C(=O)C[C@H](C[C@@H](C)SCC)[C@H](C(=O)OCC)C1=O	ZINC000104423946	495283877	/nfs/dbraw/zinc/28/38/77/495283877.db2.gz	GDYKIPWWXDATPK-YIKKKJQHSA-N	0	0	369.527	3.129	40	30		FGEBRN
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	ZINC000218115689	497000163	/nfs/dbraw/zinc/00/01/63/497000163.db2.gz	XWKDDDIBWIFTLI-DLBZAZTESA-N	0	0	372.833	3.322	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	ZINC000225652689	497070890	/nfs/dbraw/zinc/07/08/90/497070890.db2.gz	DVSCMVJEOFTSTM-RCCFBDPRSA-N	0	0	361.850	3.090	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242498498	497354222	/nfs/dbraw/zinc/35/42/22/497354222.db2.gz	HITWJLUVHAKRPZ-IPMKNSEASA-N	0	0	359.422	3.312	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1	ZINC000242498497	497354383	/nfs/dbraw/zinc/35/43/83/497354383.db2.gz	HITWJLUVHAKRPZ-GUDVDZBRSA-N	0	0	359.422	3.312	40	30		FGEBRN
CN(C)c1ccc(N=Nc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1	ZINC000255978147	497381357	/nfs/dbraw/zinc/38/13/57/497381357.db2.gz	IBOVDNBDQHYNJI-UHFFFAOYSA-N	0	0	366.377	3.389	40	30		FGEBRN
CCc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)cc1	ZINC000256046340	497382781	/nfs/dbraw/zinc/38/27/81/497382781.db2.gz	FJGWKJZWKAQGGQ-UHFFFAOYSA-N	0	0	372.476	3.024	40	30		FGEBRN
Cc1oc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C#N)c1C	ZINC000408586869	499592506	/nfs/dbraw/zinc/59/25/06/499592506.db2.gz	CTACEOQAKHYOOB-RGVLZGJSSA-N	0	0	354.366	3.264	40	30		FGEBRN
N#Cc1ccccc1Cn1cc([C@H]2[NH2+]C[C@@H](C(=O)[O-])S2)c2ccccc21	ZINC000408979509	499595603	/nfs/dbraw/zinc/59/56/03/499595603.db2.gz	RFLYFXKQCVNJQT-OALUTQOASA-N	0	0	363.442	3.349	40	30		FGEBRN
Cn1cnc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)c1	ZINC000585294655	507588338	/nfs/dbraw/zinc/58/83/38/507588338.db2.gz	TUTSIROYIQIXJO-UHFFFAOYSA-N	0	0	373.464	3.205	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224808631	518812808	/nfs/dbraw/zinc/81/28/08/518812808.db2.gz	RTOHCLFFPILXQS-UHFFFAOYSA-N	0	0	369.389	3.363	40	30		FGEBRN
C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1	ZINC000224712664	518813753	/nfs/dbraw/zinc/81/37/53/518813753.db2.gz	NJJYHZJRULTFQS-UHFFFAOYSA-N	0	0	365.838	3.493	40	30		FGEBRN
C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1	ZINC000004851904	518899172	/nfs/dbraw/zinc/89/91/72/518899172.db2.gz	WXWPCRQVGRRIHO-UHFFFAOYSA-N	0	0	372.425	3.369	40	30		FGEBRN
C=CCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC	ZINC000223855385	519128661	/nfs/dbraw/zinc/12/86/61/519128661.db2.gz	FPWFAHUYSVKOTO-AWEZNQCLSA-N	0	0	373.474	3.318	40	30		FGEBRN
CCOC(=O)C(=O)/C=C\[C@@H]1[C@H](C)CC=C[C@@H]1NC(=O)OCc1ccccc1	ZINC000008655638	520402650	/nfs/dbraw/zinc/40/26/50/520402650.db2.gz	DSVLISNTLNSKSI-OHZKTXODSA-N	0	0	371.433	3.182	40	30		FGEBRN
COc1cc(C=NN2C(=S)N=NC2c2ccccc2)cc(OC)c1OC	ZINC000252429441	522310333	/nfs/dbraw/zinc/31/03/33/522310333.db2.gz	PRHSDRCFESSFSM-UHFFFAOYSA-N	0	0	370.434	3.142	40	30		FGEBRN
CC1N=NC(=S)N1N=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408861846	570693382	/nfs/dbraw/zinc/69/33/82/570693382.db2.gz	DQMFXEDLEHZHLR-VCHYOVAHSA-N	0	0	369.406	3.245	40	30		FGEBRN
N#Cc1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	ZINC000408963295	570704155	/nfs/dbraw/zinc/70/41/55/570704155.db2.gz	YWKYHZYXQXEHBW-ZVHZXABRSA-N	0	0	372.428	3.122	40	30		FGEBRN
C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(CCC)C2=O)cc1Cl	ZINC000409077687	570719382	/nfs/dbraw/zinc/71/93/82/570719382.db2.gz	FVSAOZHOJKLTPD-LCYFTJDESA-N	0	0	369.273	3.473	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O	ZINC000409129700	570730142	/nfs/dbraw/zinc/73/01/42/570730142.db2.gz	SAJABSQWIXLVMX-LDADJPATSA-N	0	0	359.385	3.216	40	30		FGEBRN
C=CCOc1ccc(Br)cc1C=NN1C(=O)CSC1=S	ZINC000409344475	570751659	/nfs/dbraw/zinc/75/16/59/570751659.db2.gz	JKQZCMSMBUSAQM-CHHVJCJISA-N	0	0	371.281	3.208	40	30		FGEBRN
CC[C@@H](C)Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OC	ZINC000409361535	570753088	/nfs/dbraw/zinc/75/30/88/570753088.db2.gz	DAMNOLSLGFXIOB-CYBMUJFWSA-N	0	0	367.405	3.170	40	30		FGEBRN
CC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)s1	ZINC000046848906	571150877	/nfs/dbraw/zinc/15/08/77/571150877.db2.gz	IWQBOUSVUHPKEM-UHFFFAOYSA-N	0	0	353.447	3.175	40	30		FGEBRN
C=CCc1cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1OC	ZINC000218656878	210173963	/nfs/dbraw/zinc/17/39/63/210173963.db2.gz	LYZHLOBUJBRJIY-UHFFFAOYSA-N	0	0	371.433	3.380	40	30		FGEBRN
C=CCOC(=O)c1nnc2c(-c3ccccc3OC)c(CC)nn2c1C	ZINC000020633796	210156485	/nfs/dbraw/zinc/15/64/85/210156485.db2.gz	KNHRKXZMQVALAH-UHFFFAOYSA-N	0	0	352.394	3.014	40	30		FGEBRN
C=CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(CC)nn2c1C	ZINC000020797706	210156135	/nfs/dbraw/zinc/15/61/35/210156135.db2.gz	AMTZANDWSCSKJP-UHFFFAOYSA-N	0	0	352.394	3.014	40	30		FGEBRN
C=CCn1c(=O)n(-c2ccccc2)c(=O)c2cc(Br)ccc21	ZINC000009938710	210137489	/nfs/dbraw/zinc/13/74/89/210137489.db2.gz	NVXSWDQKEYHWHQ-UHFFFAOYSA-N	0	0	357.207	3.101	40	30		FGEBRN
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1	ZINC000001202870	219388019	/nfs/dbraw/zinc/38/80/19/219388019.db2.gz	YEUAQVSDGAKESG-SFQUDFHCSA-N	0	0	367.268	3.460	40	30		FGEBRN
COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N	ZINC000225774906	222868029	/nfs/dbraw/zinc/86/80/29/222868029.db2.gz	ZNXFIIOIHOXTKD-UHFFFAOYSA-N	0	0	354.381	3.393	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cc1	ZINC000225925953	222879565	/nfs/dbraw/zinc/87/95/65/222879565.db2.gz	BINCXSBLWHJGRW-UHFFFAOYSA-N	0	0	354.450	3.373	40	30		FGEBRN
C[C@]12C[C@@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1	ZINC000022001476	211334703	/nfs/dbraw/zinc/33/47/03/211334703.db2.gz	RJTDWMKVQUPGSY-NYTLBARGSA-N	0	0	356.462	3.341	40	30	in-vitro	FGEBRN
CCOC(=O)C/C(=N\Nc1cc(Br)ccc1[N+](=O)[O-])OCC	ZINC000016681939	211166344	/nfs/dbraw/zinc/16/63/44/211166344.db2.gz	LPUKZDFFWIKRCE-FOWTUZBSSA-N	0	0	374.191	3.072	40	30		FGEBRN
N#CCC(=O)c1ccc(Br)c(F)c1I	ZINC000098210952	222229898	/nfs/dbraw/zinc/22/98/98/222229898.db2.gz	DZOQAFLHPPFUFF-UHFFFAOYSA-N	0	0	367.943	3.289	40	30		FGEBRN
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N\O)CC(C)(C)C2	ZINC000100931478	222258358	/nfs/dbraw/zinc/25/83/58/222258358.db2.gz	NBSLTRTVTDHJHV-XKZIYDEJSA-N	0	0	370.405	3.397	40	30		FGEBRN
CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1	ZINC000100973088	222258893	/nfs/dbraw/zinc/25/88/93/222258893.db2.gz	YYQNGSHAMLPABX-ZGTROFRASA-N	0	0	366.489	3.129	40	30		FGEBRN
O=c1c2cn[nH]c2[nH]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000104302454	222354908	/nfs/dbraw/zinc/35/49/08/222354908.db2.gz	GHXSOKVBPRVLBQ-OBLBUWMUSA-N	0	0	374.360	3.144	40	30		FGEBRN
C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C/c1ccco1	ZINC000004866460	493898213	/nfs/dbraw/zinc/89/82/13/493898213.db2.gz	GEKDRDHNGSAMLF-JLXHZPSVSA-N	0	0	357.410	3.481	40	30		FGEBRN
COc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1	ZINC000005000879	493906960	/nfs/dbraw/zinc/90/69/60/493906960.db2.gz	NKHQHOXBCHVSBD-UHFFFAOYSA-N	0	0	374.400	3.421	40	30		FGEBRN
COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000059516276	493907399	/nfs/dbraw/zinc/90/73/99/493907399.db2.gz	DYWBNCZTWXUNFC-SFQUDFHCSA-N	0	0	364.357	3.472	40	30		FGEBRN
C=CCOc1ccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)cc1OC	ZINC000059959476	493910672	/nfs/dbraw/zinc/91/06/72/493910672.db2.gz	WITSPQXUTIIKPB-WJDWOHSUSA-N	0	0	371.433	3.341	40	30		FGEBRN
O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000005124778	493914405	/nfs/dbraw/zinc/91/44/05/493914405.db2.gz	BTHUQVVKVGENDV-VIZOYTHASA-N	0	0	369.358	3.215	40	30		FGEBRN
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C#N)cc1	ZINC000005530512	493934752	/nfs/dbraw/zinc/93/47/52/493934752.db2.gz	BUAXFNYLTUQLFS-UHFFFAOYSA-N	0	0	363.446	3.008	40	30		FGEBRN
CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000005634252	493938567	/nfs/dbraw/zinc/93/85/67/493938567.db2.gz	BQZNEKDUAXITEY-INIZCTEOSA-N	0	0	371.776	3.277	40	30		FGEBRN
COc1ccc(-c2nc(SCC(=O)Nc3ccccc3C#N)n[nH]2)cc1	ZINC000006141939	493953373	/nfs/dbraw/zinc/95/33/73/493953373.db2.gz	FJKUPRRBGUEJJD-UHFFFAOYSA-N	0	0	365.418	3.083	40	30		FGEBRN
COc1ccccc1[C@@H](C#N)NCCCN[C@H](C#N)c1ccccc1OC	ZINC000031667246	493954694	/nfs/dbraw/zinc/95/46/94/493954694.db2.gz	QNMNQYCJFCGGLZ-RTBURBONSA-N	0	0	364.449	3.103	40	30		FGEBRN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1	ZINC000006230473	493955390	/nfs/dbraw/zinc/95/53/90/493955390.db2.gz	XNUYGVARLFTPJV-SXGWCWSVSA-N	0	0	354.387	3.316	40	30		FGEBRN
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1	ZINC000008810013	494105002	/nfs/dbraw/zinc/10/50/02/494105002.db2.gz	NDEHUDLFNLVUIW-UHFFFAOYSA-N	0	0	368.817	3.196	40	30		FGEBRN
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000010002750	494139610	/nfs/dbraw/zinc/13/96/10/494139610.db2.gz	AWGOPFIVXYGOMD-WTAXECHQSA-N	0	0	356.334	3.336	40	30		FGEBRN
C=CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC1=S	ZINC000066255704	494297065	/nfs/dbraw/zinc/29/70/65/494297065.db2.gz	JBNKQVIAFVOSAV-PTNGSMBKSA-N	0	0	364.467	3.050	40	30		FGEBRN
N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccco2)n1	ZINC000014152362	494306692	/nfs/dbraw/zinc/30/66/92/494306692.db2.gz	JEIRFRVWISMRCC-UHFFFAOYSA-N	0	0	359.798	3.321	40	30		FGEBRN
CC1(C)CC2=C(C(=O)C1)[C@@H](c1ccccc1)n1c(=O)c3ccccc3c(=O)n12	ZINC000044138285	494340381	/nfs/dbraw/zinc/34/03/81/494340381.db2.gz	AEUWAHNOVHPROW-HXUWFJFHSA-N	0	0	372.424	3.366	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218045327	497000381	/nfs/dbraw/zinc/00/03/81/497000381.db2.gz	RTRAGWLEUVIDQT-AABGKKOBSA-N	0	0	355.459	3.481	40	30		FGEBRN
N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218441491	497002192	/nfs/dbraw/zinc/00/21/92/497002192.db2.gz	GTCSQDMZECGCNI-HOTGVXAUSA-N	0	0	360.797	3.452	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218490066	497003723	/nfs/dbraw/zinc/00/37/23/497003723.db2.gz	GLBVMFYOFSNHPH-BZSNNMDCSA-N	0	0	359.834	3.297	40	30		FGEBRN
C=CCOc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1	ZINC000222435175	497024281	/nfs/dbraw/zinc/02/42/81/497024281.db2.gz	KZRWLZBZECZYPL-UHFFFAOYSA-N	0	0	374.462	3.208	40	30		FGEBRN
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC(C)CC2)c1	ZINC000225858333	497076898	/nfs/dbraw/zinc/07/68/98/497076898.db2.gz	XCKXNWJPVQEFSZ-UHFFFAOYSA-N	0	0	350.466	3.100	40	30		FGEBRN
CCOC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000252516186	497309402	/nfs/dbraw/zinc/30/94/02/497309402.db2.gz	QLWPPTGRGHFDHC-VAMGGRTRSA-N	0	0	355.459	3.481	40	30		FGEBRN
C[C@@]12CC[C@H]3[C@]45CCC(=O)C=C4CC[C@]3(OC5=O)[C@H]1CC[C@H]2C(=O)C1N=N1	ZINC000254310922	497347799	/nfs/dbraw/zinc/34/77/99/497347799.db2.gz	ZTZKAHRXFXPJGF-XDLUYZMFSA-N	0	0	368.433	3.155	40	30		FGEBRN
CCc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1	ZINC000256049114	497382516	/nfs/dbraw/zinc/38/25/16/497382516.db2.gz	YFJDMPAVQQJDCC-UHFFFAOYSA-N	0	0	358.449	3.028	40	30		FGEBRN
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cccc(O)c1	ZINC000261364308	497407567	/nfs/dbraw/zinc/40/75/67/497407567.db2.gz	KOVWCXJCGQSPIN-QGZVFWFLSA-O	0	0	365.438	3.093	40	30		FGEBRN
COc1cc(Br)ccc1CCCNC(=O)N1CCCCO1	ZINC000330430332	498131470	/nfs/dbraw/zinc/13/14/70/498131470.db2.gz	ITJDMJHGHHMSAX-UHFFFAOYSA-N	0	0	357.248	3.332	40	30		FGEBRN
Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCc3ccccc32)C1	ZINC000329326065	499099982	/nfs/dbraw/zinc/09/99/82/499099982.db2.gz	UABVGGITMZQSOC-DYESRHJHSA-N	0	0	352.482	3.418	40	30		FGEBRN
NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1	ZINC000408805928	499595112	/nfs/dbraw/zinc/59/51/12/499595112.db2.gz	CMYNZENUOMHVNJ-UWVJOHFNSA-N	0	0	351.175	3.203	40	30		FGEBRN
C/N=C1/S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)N1C	ZINC000408929338	499595373	/nfs/dbraw/zinc/59/53/73/499595373.db2.gz	IVZVBOPNLROSOX-HENYTUMCSA-N	0	0	373.390	3.395	40	30		FGEBRN
C=CCOC(=O)c1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1	ZINC000073634525	518979012	/nfs/dbraw/zinc/97/90/12/518979012.db2.gz	BFSXFBOKBWMEID-UHFFFAOYSA-N	0	0	354.313	3.214	40	30		FGEBRN
COc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1	ZINC000028351301	523457949	/nfs/dbraw/zinc/45/79/49/523457949.db2.gz	FWYZDSDQDGMKDH-HAHDFKILSA-N	0	0	367.493	3.472	40	30		FGEBRN
Cc1nn(C)cc1/C=C/C(=O)c1cc2cc(Br)ccc2oc1=O	ZINC000225393764	527688589	/nfs/dbraw/zinc/68/85/89/527688589.db2.gz	QQHOOXSQBYFQAQ-HWKANZROSA-N	0	0	373.206	3.494	40	30		FGEBRN
CCc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	ZINC000409238682	570743105	/nfs/dbraw/zinc/74/31/05/570743105.db2.gz	KTKVXGALEFFKKO-PXLXIMEGSA-N	0	0	352.434	3.237	40	30		FGEBRN
CC(=O)Oc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409353707	570752565	/nfs/dbraw/zinc/75/25/65/570752565.db2.gz	PZMKGOHTFDOBRG-UHFFFAOYSA-N	0	0	373.368	3.063	40	30		FGEBRN
O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(N2CCCCC2)cc1F	ZINC000409361501	570753051	/nfs/dbraw/zinc/75/30/51/570753051.db2.gz	SWRDYTKSIZNGKW-UHFFFAOYSA-N	0	0	366.396	3.114	40	30		FGEBRN
Cc1sc(NC(=O)Cn2c(=O)onc2-c2ccc(C)cc2)c(C#N)c1C	ZINC000001332569	219395977	/nfs/dbraw/zinc/39/59/77/219395977.db2.gz	NIXMMQLJIFPCMB-UHFFFAOYSA-N	0	0	368.418	3.000	40	30		FGEBRN
COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1O	ZINC000001473737	219407687	/nfs/dbraw/zinc/40/76/87/219407687.db2.gz	CNMJRWCOCFQSPG-NVMNQCDNSA-N	0	0	360.826	3.484	40	30		FGEBRN
O=c1c2ccccc2nc(N=NCc2ccc(O)c(O)c2)n1-c1ccccc1	ZINC000008306413	219858724	/nfs/dbraw/zinc/85/87/24/219858724.db2.gz	ZXTPWCGHQXNHRA-LPYMAVHISA-N	0	0	372.384	3.243	40	30		FGEBRN
CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(N(C)C)cc3)N[C@@H]2NN1	ZINC000016607988	220188410	/nfs/dbraw/zinc/18/84/10/220188410.db2.gz	NWKTUUJCENYCME-YZGWKJHDSA-N	0	0	352.482	3.004	40	30		FGEBRN
CC(=O)Nc1ccc(S(=O)(=O)/N=C(\C2CCCC2)N2CCCC2)cc1	ZINC000017379961	220214889	/nfs/dbraw/zinc/21/48/89/220214889.db2.gz	DSTWNGREXVWICZ-CZIZESTLSA-N	0	0	363.483	3.018	40	30		FGEBRN
O=[N+]([O-])c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000019848775	220302177	/nfs/dbraw/zinc/30/21/77/220302177.db2.gz	SSSRRPSNEAAEKL-DEDYPNTBSA-N	0	0	358.829	3.400	40	30		FGEBRN
N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)O2	ZINC000036559226	220821148	/nfs/dbraw/zinc/82/11/48/220821148.db2.gz	BDFTYLHZXJHGCS-AWEZNQCLSA-N	0	0	366.808	3.302	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2C[C@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1	ZINC000225926084	132250076	/nfs/dbraw/zinc/25/00/76/132250076.db2.gz	AGMGRIZBBRRLKH-PHIMTYICSA-N	0	0	373.448	3.450	40	30		FGEBRN
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ccccc3n1)C2	ZINC000096229925	222091921	/nfs/dbraw/zinc/09/19/21/222091921.db2.gz	QQCVEAFXGBJGHL-JOCHJYFZSA-N	0	0	363.461	3.408	40	30		FGEBRN
COC(=O)C(O)=CC(=O)c1cc(Br)ccc1Br	ZINC000100965754	222257981	/nfs/dbraw/zinc/25/79/81/222257981.db2.gz	OOKJSSDOYKJOFX-YHYXMXQVSA-N	0	0	363.989	3.009	40	30		FGEBRN
CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1	ZINC000100975362	222259129	/nfs/dbraw/zinc/25/91/29/222259129.db2.gz	BXJCJGSWZUGVAD-RUNIHZNKSA-N	0	0	374.487	3.376	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)CO/N=C(/C)c1cccs1	ZINC000006754308	263346489	/nfs/dbraw/zinc/34/64/89/263346489.db2.gz	YKPDARVKSJRVBO-BKUYFWCQSA-N	0	0	357.435	3.043	40	30		FGEBRN
C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1O	ZINC000004498580	493879433	/nfs/dbraw/zinc/87/94/33/493879433.db2.gz	AJUOZKVBKYGUAZ-UHFFFAOYSA-N	0	0	373.463	3.024	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1	ZINC000030863080	493910941	/nfs/dbraw/zinc/91/09/41/493910941.db2.gz	HIGRHCDJURLUAS-IBGZPJMESA-N	0	0	368.433	3.407	40	30		FGEBRN
Cc1cc(C)nc(N=NCc2ccccc2I)n1	ZINC000005785612	493942973	/nfs/dbraw/zinc/94/29/73/493942973.db2.gz	BPLPIQASRUTXHK-OVCLIPMQSA-N	0	0	352.179	3.144	40	30		FGEBRN
C=CCSc1nnc(NC(=O)CCc2ccc(OC)c(OC)c2)s1	ZINC000007594227	494028264	/nfs/dbraw/zinc/02/82/64/494028264.db2.gz	VTKLEYHFSHNGFE-UHFFFAOYSA-N	0	0	365.480	3.405	40	30		FGEBRN
CCNC(=S)N/N=C/c1cc(Br)c(OCC)cc1OCC	ZINC000033705765	494062292	/nfs/dbraw/zinc/06/22/92/494062292.db2.gz	YEQVRVODIMTWFU-RQZCQDPDSA-N	0	0	374.304	3.064	40	30		FGEBRN
Cc1cc2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc2cc1C	ZINC000034791575	494069429	/nfs/dbraw/zinc/06/94/29/494069429.db2.gz	PVUUHGFUFNBJBX-INIZCTEOSA-N	0	0	355.463	3.111	40	30		FGEBRN
CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1	ZINC000008620497	494098715	/nfs/dbraw/zinc/09/87/15/494098715.db2.gz	XYSCQNUERDZMAL-UHFFFAOYSA-N	0	0	353.407	3.160	40	30		FGEBRN
CNC(=S)N/N=C(\C)CCCCCCCC/C(C)=N/NC(=S)NC	ZINC000008618676	494098743	/nfs/dbraw/zinc/09/87/43/494098743.db2.gz	WVKDQIOSPPCJBV-IWGRKNQJSA-N	0	0	372.608	3.047	40	30		FGEBRN
COc1ccc(C=C2SC(=NNc3ccccc3)NC2=O)cc1OC	ZINC000008969965	494110558	/nfs/dbraw/zinc/11/05/58/494110558.db2.gz	FUUMHIROMMRLNP-LFIBNONCSA-N	0	0	355.419	3.291	40	30		FGEBRN
O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCS	ZINC000040397234	494141878	/nfs/dbraw/zinc/14/18/78/494141878.db2.gz	JWEOOQVOWKBJFG-UHFFFAOYSA-N	0	0	356.838	3.294	40	30		FGEBRN
O=[N+]([O-])c1cc(/C=N/NCc2ccc(Cl)cc2)ccc1N1CCOCC1	ZINC000010118968	494143610	/nfs/dbraw/zinc/14/36/10/494143610.db2.gz	MGLDRCSSXVOWDW-FYJGNVAPSA-N	0	0	374.828	3.209	40	30		FGEBRN
C=CCOc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1	ZINC000010336484	494150201	/nfs/dbraw/zinc/15/02/01/494150201.db2.gz	OZLRYZDZSAQAEG-UHFFFAOYSA-N	0	0	360.435	3.184	40	30		FGEBRN
Cc1ccc(COc2ccccc2/C=C/C(=O)ON2C(=O)CCC2=O)cc1	ZINC000097942945	495046428	/nfs/dbraw/zinc/04/64/28/495046428.db2.gz	XAWNSDNXPHDXOL-JLHYYAGUSA-N	0	0	365.385	3.194	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000252515265	497309706	/nfs/dbraw/zinc/30/97/06/497309706.db2.gz	ICBYPOBNMXLKFT-IPMKNSEASA-N	0	0	359.422	3.230	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000242495607	497354646	/nfs/dbraw/zinc/35/46/46/497354646.db2.gz	GLBVMFYOFSNHPH-RCCFBDPRSA-N	0	0	359.834	3.297	40	30		FGEBRN
O=C1C=C(NCCSc2nc3ccccc3o2)C(=O)c2ccccc21	ZINC000255188442	497360979	/nfs/dbraw/zinc/36/09/79/497360979.db2.gz	JWCOXWMYAXIGPV-UHFFFAOYSA-N	0	0	350.399	3.473	40	30		FGEBRN
COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	ZINC000408591827	499592437	/nfs/dbraw/zinc/59/24/37/499592437.db2.gz	KPYVXLVBBGHNDG-RQZCQDPDSA-N	0	0	361.310	3.071	40	30		FGEBRN
CCCCOc1ccc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc1	ZINC000408601552	499592747	/nfs/dbraw/zinc/59/27/47/499592747.db2.gz	KMLBTTHGTQLIFD-LPYMAVHISA-N	0	0	373.432	3.077	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1	ZINC000408705265	499594126	/nfs/dbraw/zinc/59/41/26/499594126.db2.gz	ASUCJIIBTXJONW-IBGZPJMESA-N	0	0	368.433	3.407	40	30		FGEBRN
COCCN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccc(OC)cc1	ZINC000409104697	499595900	/nfs/dbraw/zinc/59/59/00/499595900.db2.gz	FBEJZJFZPZQGBV-KLAKZEAMSA-N	0	0	371.462	3.284	40	30		FGEBRN
C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2	ZINC000585106841	507572546	/nfs/dbraw/zinc/57/25/46/507572546.db2.gz	JMADNOGYYNLJBV-NRFANRHFSA-N	0	0	360.417	3.213	40	30		FGEBRN
C=C(C)CN1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCCC2)CC1	ZINC000057811666	518603024	/nfs/dbraw/zinc/60/30/24/518603024.db2.gz	KAYQCNZRACRPGE-UHFFFAOYSA-N	0	0	367.497	3.270	40	30		FGEBRN
C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2cc4c(cc2O[C@@H]31)OCO4	ZINC000225453190	518645271	/nfs/dbraw/zinc/64/52/71/518645271.db2.gz	QAECYLYDFBBCCO-SZFUDVHCSA-N	0	0	366.369	3.009	40	30	biogenic,in-vitro	FGEBRN
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225099410	518814105	/nfs/dbraw/zinc/81/41/05/518814105.db2.gz	OELGGTGWOKEAHQ-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
CCCCCCCCNC(=S)N/C=C1\C(=O)Oc2ccccc2C1=O	ZINC000001636036	520035126	/nfs/dbraw/zinc/03/51/26/520035126.db2.gz	ZKZJJIHFIJUTMC-SQFISAMPSA-N	0	0	360.479	3.497	40	30		FGEBRN
CN(C)/C=C(/C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1	ZINC000013997770	523968216	/nfs/dbraw/zinc/96/82/16/523968216.db2.gz	KDMIZALEGULYCL-WECAROLCSA-N	0	0	359.470	3.200	40	30		FGEBRN
C=CCOc1ccccc1[C@@H]1C[C@@](C)(NC(C)=O)[C@@H]2CC=C(C)[C@@H](O)[C@@H]2O1	ZINC000257288738	526951779	/nfs/dbraw/zinc/95/17/79/526951779.db2.gz	PVKWSLABPVVXKJ-SGCGGLILSA-N	0	0	371.477	3.303	40	30		FGEBRN
CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2C#N)cc(-c2ccncc2)n1	ZINC000329004263	528482665	/nfs/dbraw/zinc/48/26/65/528482665.db2.gz	KQNASAYMHQQKHA-LJQANCHMSA-N	0	0	374.448	3.005	40	30		FGEBRN
C=CCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O	ZINC000409075019	570718911	/nfs/dbraw/zinc/71/89/11/570718911.db2.gz	WTDSTXPIMYSVBS-IZZDOVSWSA-N	0	0	370.224	3.386	40	30		FGEBRN
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O	ZINC000409127536	570730153	/nfs/dbraw/zinc/73/01/53/570730153.db2.gz	NPULMJAVZIHNPG-FOWTUZBSSA-N	0	0	366.373	3.202	40	30		FGEBRN
COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2OC)c1	ZINC000409249117	570745765	/nfs/dbraw/zinc/74/57/65/570745765.db2.gz	JNNGYLLBMYMFNZ-HYARGMPZSA-N	0	0	368.433	3.377	40	30		FGEBRN
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O	ZINC000409292537	570748397	/nfs/dbraw/zinc/74/83/97/570748397.db2.gz	GZSSLYODBXGLSA-UHFFFAOYSA-N	0	0	372.222	3.309	40	30		FGEBRN
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1CC	ZINC000409308649	570749261	/nfs/dbraw/zinc/74/92/61/570749261.db2.gz	YBMPDEYLIVQRKS-UHFFFAOYSA-N	0	0	373.254	3.425	40	30		FGEBRN
N#C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218178540	222678169	/nfs/dbraw/zinc/67/81/69/222678169.db2.gz	PWULOKMHANZEPC-XOKHGSTOSA-N	0	0	361.806	3.148	40	30		FGEBRN
COc1ccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)cc1	ZINC000000872062	219334759	/nfs/dbraw/zinc/33/47/59/219334759.db2.gz	FBTZGCLICWVLML-UHFFFAOYSA-N	0	0	369.446	3.425	40	30		FGEBRN
CC1CCN(C(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)CC1	ZINC000225858358	222875840	/nfs/dbraw/zinc/87/58/40/222875840.db2.gz	RKNQLIKROYRIAS-UHFFFAOYSA-N	0	0	370.884	3.445	40	30		FGEBRN
COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)c1	ZINC000014608165	220128249	/nfs/dbraw/zinc/12/82/49/220128249.db2.gz	JTOZMTOMMYRAJF-BFUOFWGJSA-N	0	0	362.389	3.295	40	30		FGEBRN
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	ZINC000016929165	220197071	/nfs/dbraw/zinc/19/70/71/220197071.db2.gz	PSRYHQQVKMOFNA-HZCIDLMISA-N	0	0	356.462	3.039	40	30		FGEBRN
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000019088000	220235217	/nfs/dbraw/zinc/23/52/17/220235217.db2.gz	XCKLQAQILIQCIB-LJQANCHMSA-N	0	0	361.401	3.090	40	30		FGEBRN
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(C(=O)c3ccccc3F)CC1)C2	ZINC000019460743	220260811	/nfs/dbraw/zinc/26/08/11/220260811.db2.gz	LAXFVIWMSHUGQK-AOMKIAJQSA-N	0	0	370.468	3.493	40	30		FGEBRN
O=C[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@H]12	ZINC000038929672	220860528	/nfs/dbraw/zinc/86/05/28/220860528.db2.gz	KBOZUCMAAWBGQV-AKHDSKFASA-N	0	0	350.370	3.030	40	30		FGEBRN
C#CCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OCC	ZINC000096476011	222121168	/nfs/dbraw/zinc/12/11/68/222121168.db2.gz	XTMKDJNDGMIDTJ-CJGMICOPSA-N	0	0	358.463	3.409	40	30		FGEBRN
Cc1ccc(C2=NOC(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000101662195	222281218	/nfs/dbraw/zinc/28/12/18/222281218.db2.gz	KSJBZNOGPFKFBW-ZSOIEALJSA-N	0	0	353.290	3.156	40	30		FGEBRN
Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000017075520	263372341	/nfs/dbraw/zinc/37/23/41/263372341.db2.gz	GTEIZOYJQLJERF-UHFFFAOYSA-N	0	0	367.800	3.448	40	30		FGEBRN
COCc1nnc(NC(=O)CN2CCC(Cc3ccccc3)CC2)s1	ZINC000019594511	263374670	/nfs/dbraw/zinc/37/46/70/263374670.db2.gz	XASUAGDUUKBMAI-UHFFFAOYSA-N	0	0	360.483	3.227	40	30		FGEBRN
Cc1ccc(-c2ccc(C=NN3C(=O)CSC3=S)o2)c([N+](=O)[O-])c1	ZINC000409212807	263542446	/nfs/dbraw/zinc/54/24/46/263542446.db2.gz	RBKRAPFDUYGSTO-APSNUPSMSA-N	0	0	361.404	3.357	40	30		FGEBRN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSCCO)sc2C1	ZINC000006323270	493959432	/nfs/dbraw/zinc/95/94/32/493959432.db2.gz	WEGHEIVYPBFBCL-NSHDSACASA-N	0	0	352.525	3.435	40	30		FGEBRN
C=CCn1nnnc1NCc1ccc(OCc2ccccc2F)c(OC)c1	ZINC000007601822	494029682	/nfs/dbraw/zinc/02/96/82/494029682.db2.gz	YGEUYCRKFLMDGO-UHFFFAOYSA-N	0	0	369.400	3.198	40	30		FGEBRN
C=CCO[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccsc4)cc3C(=O)N2C1	ZINC000008297212	494082002	/nfs/dbraw/zinc/08/20/02/494082002.db2.gz	NPOVOPVLUKYMPD-PBHICJAKSA-N	0	0	354.431	3.153	40	30	biogenic,in-vitro	FGEBRN
C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C(=O)N1C	ZINC000015227062	494344102	/nfs/dbraw/zinc/34/41/02/494344102.db2.gz	BXHBJZDWBPEEER-DNCSRFGUSA-N	0	0	350.447	3.498	40	30		FGEBRN
CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(N(C)C)cc3)N[C@H]2NN1	ZINC000016607992	494396651	/nfs/dbraw/zinc/39/66/51/494396651.db2.gz	NWKTUUJCENYCME-IHPCNDPISA-N	0	0	352.482	3.004	40	30		FGEBRN
COc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	ZINC000100349921	495064754	/nfs/dbraw/zinc/06/47/54/495064754.db2.gz	NAGSBXOYHOIUCQ-ZWAQGKOVSA-N	0	0	368.433	3.120	40	30		FGEBRN
N#C[C@@]1(C=O)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218640899	497004988	/nfs/dbraw/zinc/00/49/88/497004988.db2.gz	VKISBDCRJLMINS-YESZJQIVSA-N	0	0	363.797	3.128	40	30		FGEBRN
N#C[C@]1(C=O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000242688195	497355240	/nfs/dbraw/zinc/35/52/40/497355240.db2.gz	VKISBDCRJLMINS-BBWFWOEESA-N	0	0	363.797	3.128	40	30		FGEBRN
C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1)S(C)(=O)=O	ZINC000020105280	518806501	/nfs/dbraw/zinc/80/65/01/518806501.db2.gz	LQMQZAKLFPBFDV-INIZCTEOSA-N	0	0	372.490	3.438	40	30		FGEBRN
C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccs1	ZINC000225125289	518809627	/nfs/dbraw/zinc/80/96/27/518809627.db2.gz	APHDFHXPLBYKJV-UHFFFAOYSA-N	0	0	351.449	3.306	40	30		FGEBRN
C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1	ZINC000223838259	519058460	/nfs/dbraw/zinc/05/84/60/519058460.db2.gz	HUONVECFRMCARR-UHFFFAOYSA-N	0	0	361.419	3.147	40	30		FGEBRN
C=CC[C@@H]1C(=O)C=C(OC)[C@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@H]12	ZINC000257397880	519107305	/nfs/dbraw/zinc/10/73/05/519107305.db2.gz	COELSLLVNMRXHB-XVICQFDHSA-N	0	0	372.417	3.182	40	30		FGEBRN
N#CCc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1	ZINC000225559561	526484767	/nfs/dbraw/zinc/48/47/67/526484767.db2.gz	FRQXQPMTUGPALB-UHFFFAOYSA-N	0	0	350.491	3.492	40	30		FGEBRN
C=CCc1cc(/C=N\NC(=S)NCc2ccccc2)cc(OC)c1O	ZINC000409213212	570741037	/nfs/dbraw/zinc/74/10/37/570741037.db2.gz	STQVGBRTVGZWOM-BKUYFWCQSA-N	0	0	355.463	3.128	40	30		FGEBRN
Cc1cc(N2CCCC2)c(F)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409350701	570752609	/nfs/dbraw/zinc/75/26/09/570752609.db2.gz	UKMGIVZXVBWLBK-UHFFFAOYSA-N	0	0	366.396	3.032	40	30		FGEBRN
COc1ccc(/C=C/c2c(C#N)nn(-c3ccc(C)cc3)c(=O)c2C#N)cc1	ZINC000001083087	219366194	/nfs/dbraw/zinc/36/61/94/219366194.db2.gz	WUCXTNJDDOLSHF-KPKJPENVSA-N	0	0	368.396	3.463	40	30		FGEBRN
Cc1nonc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N	ZINC000004849125	219613345	/nfs/dbraw/zinc/61/33/45/219613345.db2.gz	SKBDXLGTMFIQLD-UHFFFAOYSA-N	0	0	353.407	3.146	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1Cl	ZINC000004944599	219629741	/nfs/dbraw/zinc/62/97/41/219629741.db2.gz	GAPXYBVTFCDIIU-LLVKDONJSA-N	0	0	361.854	3.186	40	30		FGEBRN
COc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000008408063	219862151	/nfs/dbraw/zinc/86/21/51/219862151.db2.gz	NFDWZYQMRLMDSZ-PQFHHTBUSA-N	0	0	357.797	3.150	40	30		FGEBRN
C=CCOc1ccccc1NC(=O)[C@]1(C)CC(=O)N=C2C=C(C)C=CN21	ZINC000013996150	220100772	/nfs/dbraw/zinc/10/07/72/220100772.db2.gz	OQAQCMICVZSWKG-FQEVSTJZSA-N	0	0	351.406	3.053	40	30		FGEBRN
CN(C)c1ccc(/C=C2\CNC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000017176781	220209114	/nfs/dbraw/zinc/20/91/14/220209114.db2.gz	PQXIGFCAMSKVHL-LRVMPXQBSA-N	0	0	361.489	3.458	40	30		FGEBRN
CO[C@H](C)CCN=Nc1nnc(N=NCC[C@H](C)OC)c2ccccc21	ZINC000017418191	220215316	/nfs/dbraw/zinc/21/53/16/220215316.db2.gz	BRCPZVOBLPHGKE-YBQQKLBXSA-N	0	0	358.446	3.275	40	30		FGEBRN
CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1C(=O)C[C@H](C)CC1=N2	ZINC000022608565	220391376	/nfs/dbraw/zinc/39/13/76/220391376.db2.gz	CCJVHVYHKBTEME-HWPZZCPQSA-N	0	0	356.451	3.364	40	30		FGEBRN
O=C1CSC(=S)N1/N=C\c1c[nH]c2ccc(Br)cc12	ZINC000071164222	221335705	/nfs/dbraw/zinc/33/57/05/221335705.db2.gz	IEDJIGQFRWFTAK-WCSRMQSCSA-N	0	0	354.254	3.125	40	30		FGEBRN
N#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2	ZINC000019418274	132887768	/nfs/dbraw/zinc/88/77/68/132887768.db2.gz	CXWRUJBEQIKCKH-UHFFFAOYSA-N	0	0	368.868	3.002	40	30		FGEBRN
O=c1c2cn[nH]c2[nH]c(Nc2ccccc2)c1N=Cc1ccc([N+](=O)[O-])cc1	ZINC000104302460	222356323	/nfs/dbraw/zinc/35/63/23/222356323.db2.gz	GHXSOKVBPRVLBQ-HSGPEQJXSA-N	0	0	374.360	3.144	40	30		FGEBRN
Cc1cc(/C=N\NC(N)=S)c(C)n1-c1cccc(Br)c1	ZINC000409062746	263521872	/nfs/dbraw/zinc/52/18/72/263521872.db2.gz	AECNTOINHLSHMB-IUXPMGMMSA-N	0	0	351.273	3.024	40	30		FGEBRN
COc1ccc2c(c1)C(=O)C[C@@H](COS(=O)(=O)c1ccc(C)cc1)C2	ZINC000002028343	493800143	/nfs/dbraw/zinc/80/01/43/493800143.db2.gz	VIQGPRTUKHGHJP-AWEZNQCLSA-N	0	0	360.431	3.154	40	30		FGEBRN
C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)cc2)nc1C	ZINC000002693418	493815268	/nfs/dbraw/zinc/81/52/68/493815268.db2.gz	PFQFKLOZCJBDPF-JXMROGBWSA-N	0	0	358.419	3.455	40	30		FGEBRN
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000005408731	493928528	/nfs/dbraw/zinc/92/85/28/493928528.db2.gz	WGMMVCXQMXKIEI-KRWDZBQOSA-N	0	0	371.364	3.051	40	30		FGEBRN
C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(C(=O)OC)=C1C	ZINC000006348198	493960093	/nfs/dbraw/zinc/96/00/93/493960093.db2.gz	OSBURAGQPBEYFV-LCYFTJDESA-N	0	0	362.769	3.107	40	30		FGEBRN
C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1F	ZINC000007601827	494029291	/nfs/dbraw/zinc/02/92/91/494029291.db2.gz	OAGKKXMLHSKXSW-UHFFFAOYSA-N	0	0	369.400	3.198	40	30		FGEBRN
COc1ccc(/N=C2/S[C@H](Cc3ccc4c(c3)OCO4)C(=O)N2C)cc1	ZINC000008091962	494067296	/nfs/dbraw/zinc/06/72/96/494067296.db2.gz	IAICOUMATAFZRQ-NHKNDPDJSA-N	0	0	370.430	3.228	40	30		FGEBRN
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Br)cc1	ZINC000008300041	494081863	/nfs/dbraw/zinc/08/18/63/494081863.db2.gz	BBEXUNRGQJNLIM-HEHGZKQESA-N	0	0	364.287	3.467	40	30	biogenic,in-vitro	FGEBRN
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1	ZINC000008481091	494093277	/nfs/dbraw/zinc/09/32/77/494093277.db2.gz	ZZSKBGGEPLFPBR-UHFFFAOYSA-N	0	0	368.433	3.270	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC	ZINC000008496505	494094085	/nfs/dbraw/zinc/09/40/85/494094085.db2.gz	UQNHAZJWHWHYDV-QGZVFWFLSA-N	0	0	368.433	3.407	40	30		FGEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010002165	494139683	/nfs/dbraw/zinc/13/96/83/494139683.db2.gz	IHAAMTUJWINPPX-HBTZSIKTSA-N	0	0	356.334	3.336	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000010513467	494156289	/nfs/dbraw/zinc/15/62/89/494156289.db2.gz	OGDWTJBKQNBWSI-FMIVXFBMSA-N	0	0	351.362	3.163	40	30		FGEBRN
C=CCNC(=S)NN=Cc1ccccc1OCCOc1ccccc1	ZINC000013151756	494280468	/nfs/dbraw/zinc/28/04/68/494280468.db2.gz	UBSPEQLOOXTUHN-UHFFFAOYSA-N	0	0	355.463	3.128	40	30		FGEBRN
CC1CCN(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1	ZINC000026439201	494824674	/nfs/dbraw/zinc/82/46/74/494824674.db2.gz	KQSWTTZYTOMHIS-UHFFFAOYSA-N	0	0	367.496	3.020	40	30		FGEBRN
N#Cc1nc(/C=C/c2ccco2)oc1N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000138144219	495456592	/nfs/dbraw/zinc/45/65/92/495456592.db2.gz	ZCHLJLBIPFVJIH-MFHOCJEASA-N	0	0	374.400	3.095	40	30		FGEBRN
O=C[C@H]1[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000218222908	497000799	/nfs/dbraw/zinc/00/07/99/497000799.db2.gz	HMTZHBTZFZNPHU-OAGGEKHMSA-N	0	0	365.248	3.204	40	30		FGEBRN
C=CCOc1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	ZINC000218283221	497001237	/nfs/dbraw/zinc/00/12/37/497001237.db2.gz	GHLNUCBGNDSINI-HNNXBMFYSA-N	0	0	374.462	3.045	40	30		FGEBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	ZINC000218566355	497003387	/nfs/dbraw/zinc/00/33/87/497003387.db2.gz	TZOXLYWSBQZBJQ-KZNAEPCWSA-N	0	0	360.866	3.063	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	ZINC000218485522	497003999	/nfs/dbraw/zinc/00/39/99/497003999.db2.gz	VPNHDICAGDPECL-SQNIBIBYSA-N	0	0	359.834	3.297	40	30		FGEBRN
C=CCN(c1ccccc1OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000224999504	497055150	/nfs/dbraw/zinc/05/51/50/497055150.db2.gz	UUNVJEILQMCOCM-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000252514945	497309524	/nfs/dbraw/zinc/30/95/24/497309524.db2.gz	FJBZOHUXLUKREY-VAMGGRTRSA-N	0	0	371.458	3.100	40	30		FGEBRN
C/C(=N/N)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253505297	497336758	/nfs/dbraw/zinc/33/67/58/497336758.db2.gz	GUIUGRNHIOQLSU-TXHUJRDPSA-N	0	0	356.514	3.106	40	30		FGEBRN
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)cc1O	ZINC000254297524	497348108	/nfs/dbraw/zinc/34/81/08/497348108.db2.gz	QFLRQIULGJWCJA-UHFFFAOYSA-N	0	0	357.369	3.357	40	30		FGEBRN
CCOC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242722950	497355915	/nfs/dbraw/zinc/35/59/15/497355915.db2.gz	XZIFXFOCGAOULE-IPMKNSEASA-N	0	0	359.422	3.312	40	30		FGEBRN
Cc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)cc1C	ZINC000256047136	497382481	/nfs/dbraw/zinc/38/24/81/497382481.db2.gz	KQSSZWIWEYVRLL-UHFFFAOYSA-N	0	0	372.476	3.078	40	30		FGEBRN
CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(OC)cc1OC	ZINC000408583515	499592557	/nfs/dbraw/zinc/59/25/57/499592557.db2.gz	VHVHZFMCLQCGRR-UHFFFAOYSA-N	0	0	356.378	3.235	40	30		FGEBRN
Cc1cc(N=C2NC(=O)/C(=C/c3ccncc3)S2)cc([N+](=O)[O-])c1C	ZINC000408815614	499595104	/nfs/dbraw/zinc/59/51/04/499595104.db2.gz	IFMLLSLZYHKSPX-NVNXTCNLSA-N	0	0	354.391	3.498	40	30		FGEBRN
Cc1ccc(N2C[C@@]3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)cc1	ZINC000585101597	507568006	/nfs/dbraw/zinc/56/80/06/507568006.db2.gz	YXOCUVSDJPZXMG-FQEVSTJZSA-N	0	0	351.450	3.034	40	30		FGEBRN
C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224807707	518815266	/nfs/dbraw/zinc/81/52/66/518815266.db2.gz	JUNFJCNHOVDCCY-UHFFFAOYSA-N	0	0	351.399	3.224	40	30		FGEBRN
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224796893	518817090	/nfs/dbraw/zinc/81/70/90/518817090.db2.gz	BUCMLCOWBAJYIP-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(F)cc1	ZINC000224909688	518819273	/nfs/dbraw/zinc/81/92/73/518819273.db2.gz	BIXIQKAHONSHOA-UHFFFAOYSA-N	0	0	363.410	3.384	40	30		FGEBRN
CCCCCCCCOC(=O)[C@H](N)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000104807824	520040032	/nfs/dbraw/zinc/04/00/32/520040032.db2.gz	RGJWKBJRRXFXCX-OAHLLOKOSA-N	0	0	352.431	3.377	40	30		FGEBRN
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@]3(C)[C@H]1C2	ZINC000252516562	526209776	/nfs/dbraw/zinc/20/97/76/526209776.db2.gz	UHNRJNAOOCIDDJ-CNGZUBJHSA-N	0	0	360.450	3.164	40	30	biogenic,in-vitro	FGEBRN
O=C(NOC(=O)C1CCOCC1)OCC1c2ccccc2-c2ccccc21	ZINC000038804190	526843799	/nfs/dbraw/zinc/84/37/99/526843799.db2.gz	JKPWOSRBTBRQLD-UHFFFAOYSA-N	0	0	367.401	3.410	40	30		FGEBRN
COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc2c1OCO2	ZINC000408963279	570704215	/nfs/dbraw/zinc/70/42/15/570704215.db2.gz	YSBLVYFDBNRKGZ-OVCLIPMQSA-N	0	0	372.377	3.455	40	30		FGEBRN
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(C)s2)S1	ZINC000409078420	570720659	/nfs/dbraw/zinc/72/06/59/570720659.db2.gz	CQCFNUVJCGAENW-XFXZXTDPSA-N	0	0	365.476	3.404	40	30		FGEBRN
C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O	ZINC000409142017	570732037	/nfs/dbraw/zinc/73/20/37/570732037.db2.gz	KVSIDDAJHBVHLW-COOUDCDJSA-N	0	0	362.426	3.273	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2	ZINC000222715772	222747618	/nfs/dbraw/zinc/74/76/18/222747618.db2.gz	VDKMXQPGXHVZPS-UHFFFAOYSA-N	0	0	364.445	3.499	40	30		FGEBRN
COc1ccccc1C(=O)Nc1sc(C(=O)N2CCCC2)c(C)c1C#N	ZINC000000871387	219334057	/nfs/dbraw/zinc/33/40/57/219334057.db2.gz	ATKGHOARHQCOHY-UHFFFAOYSA-N	0	0	369.446	3.425	40	30		FGEBRN
C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccnc1	ZINC000001072350	219363895	/nfs/dbraw/zinc/36/38/95/219363895.db2.gz	DUMBUACIZMOJCV-UHFFFAOYSA-N	0	0	350.407	3.355	40	30		FGEBRN
COc1cc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2cc1OC	ZINC000001355179	219397927	/nfs/dbraw/zinc/39/79/27/219397927.db2.gz	CSQJIANFDFNURR-UHFFFAOYSA-N	0	0	371.462	3.228	40	30		FGEBRN
Cc1ccc2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc2c1C	ZINC000004092453	219541753	/nfs/dbraw/zinc/54/17/53/219541753.db2.gz	WEIPHBJBWVKGBS-INIZCTEOSA-N	0	0	355.463	3.111	40	30		FGEBRN
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(SC)cc1	ZINC000004944636	219629967	/nfs/dbraw/zinc/62/99/67/219629967.db2.gz	LXMCWYQPWVWJAH-ZDUSSCGKSA-N	0	0	373.503	3.254	40	30		FGEBRN
N#Cc1cccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c1	ZINC000329008078	223128347	/nfs/dbraw/zinc/12/83/47/223128347.db2.gz	LOKUWQOFYHZIOH-UHFFFAOYSA-N	0	0	356.433	3.352	40	30		FGEBRN
N#Cc1ccccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1	ZINC000329013927	223129774	/nfs/dbraw/zinc/12/97/74/223129774.db2.gz	MRURMKXNQMTVEB-UHFFFAOYSA-N	0	0	356.433	3.352	40	30		FGEBRN
C=CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	ZINC000101219102	222265337	/nfs/dbraw/zinc/26/53/37/222265337.db2.gz	HINYVMWKBRTGCT-RUNIHZNKSA-N	0	0	372.471	3.234	40	30		FGEBRN
CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(OC)cc1)O2	ZINC000102718372	222304942	/nfs/dbraw/zinc/30/49/42/222304942.db2.gz	GTRWMWKCKQQGHI-GEAQGZNASA-N	0	0	350.378	3.060	40	30		FGEBRN
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	ZINC000216774850	263457879	/nfs/dbraw/zinc/45/78/79/263457879.db2.gz	RLHQPVZQCCQNRX-NRFANRHFSA-N	0	0	359.433	3.038	40	30		FGEBRN
CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Cl)c1OCC#N	ZINC000408853226	263501707	/nfs/dbraw/zinc/50/17/07/263501707.db2.gz	MLJGJJOWTRJCOS-QEIQMOKMSA-N	0	0	365.842	3.173	40	30		FGEBRN
CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c1ccc(Br)cc1	ZINC000003120920	493831001	/nfs/dbraw/zinc/83/10/01/493831001.db2.gz	LRMYZUKQZPMTNO-UHFFFAOYSA-N	0	0	354.225	3.054	40	30		FGEBRN
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(OC(F)F)cc2)c1	ZINC000003440869	493845354	/nfs/dbraw/zinc/84/53/54/493845354.db2.gz	FHJVLOHPYSJWRO-VXLYETTFSA-N	0	0	354.378	3.217	40	30		FGEBRN
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S	ZINC000004028983	493862549	/nfs/dbraw/zinc/86/25/49/493862549.db2.gz	MOQTVGQHEGMMDS-RAJVXTTASA-N	0	0	361.555	3.499	40	30		FGEBRN
C/C(=N\N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	ZINC000004712947	493888787	/nfs/dbraw/zinc/88/87/87/493888787.db2.gz	HREPGTQTOXFPLC-DDLUMYACSA-N	0	0	368.418	3.149	40	30		FGEBRN
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCC=C)[nH]c(=O)c32)cc1	ZINC000004944410	493902888	/nfs/dbraw/zinc/90/28/88/493902888.db2.gz	GKJLBJUBJFPSTG-AWEZNQCLSA-N	0	0	369.446	3.087	40	30		FGEBRN
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000005409111	493928958	/nfs/dbraw/zinc/92/89/58/493928958.db2.gz	OSDFWBPEUJAFPC-SFHVURJKSA-N	0	0	367.401	3.220	40	30		FGEBRN
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1C#N	ZINC000005787188	493942939	/nfs/dbraw/zinc/94/29/39/493942939.db2.gz	WQGCFNGITAJFSI-VDZJLULYSA-N	0	0	373.449	3.484	40	30		FGEBRN
FC(F)(F)c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)nc1	ZINC000034878163	494069595	/nfs/dbraw/zinc/06/95/95/494069595.db2.gz	YGHGYORICADZHN-JJFYIABZSA-N	0	0	350.344	3.383	40	30		FGEBRN
CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(C#N)c3)n2)cn1	ZINC000035426227	494076597	/nfs/dbraw/zinc/07/65/97/494076597.db2.gz	OJZOJGKVUZSXJZ-SFHVURJKSA-N	0	0	374.448	3.406	40	30	biogenic,in-vitro	FGEBRN
C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	ZINC000008810172	494105366	/nfs/dbraw/zinc/10/53/66/494105366.db2.gz	ZGLFLCMDYKVEFL-UHFFFAOYSA-N	0	0	368.817	3.196	40	30		FGEBRN
C=CCn1ncc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1C	ZINC000012187408	494211052	/nfs/dbraw/zinc/21/10/52/494211052.db2.gz	AVJAGZDFVRVQON-IBGZPJMESA-N	0	0	369.465	3.287	40	30		FGEBRN
Cc1nc2ccc(Br)cc2c(-c2ccccc2)[n+]1CC(=O)[O-]	ZINC000095532143	494989371	/nfs/dbraw/zinc/98/93/71/494989371.db2.gz	JNQFTNNCODCYOT-UHFFFAOYSA-O	0	0	358.215	3.345	40	30		FGEBRN
CCCC(NC)=C1C(=O)C[C@H](C[C@H](C)SCC)[C@@H](C(=O)OCC)C1=O	ZINC000198729230	496968924	/nfs/dbraw/zinc/96/89/24/496968924.db2.gz	GDYKIPWWXDATPK-FQVPBGTPSA-N	0	0	369.527	3.129	40	30		FGEBRN
CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218043848	497000010	/nfs/dbraw/zinc/00/00/10/497000010.db2.gz	KHUFKDXTQUJARO-CMKODMSKSA-N	0	0	369.442	3.008	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218106131	497000423	/nfs/dbraw/zinc/00/04/23/497000423.db2.gz	FJBZOHUXLUKREY-SLFFLAALSA-N	0	0	371.458	3.100	40	30		FGEBRN
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	ZINC000218547447	497003781	/nfs/dbraw/zinc/00/37/81/497003781.db2.gz	CWPUUSLREALRNV-OKZBNKHCSA-N	0	0	359.834	3.297	40	30		FGEBRN
COc1ccc(N(C)CCNC(=S)Nc2ccc(CC#N)cc2)cc1	ZINC000225797983	497076534	/nfs/dbraw/zinc/07/65/34/497076534.db2.gz	PTAAZPXRJZGOBG-UHFFFAOYSA-N	0	0	354.479	3.184	40	30		FGEBRN
COc1cccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)c1	ZINC000225842284	497077229	/nfs/dbraw/zinc/07/72/29/497077229.db2.gz	SRQMCIRBIJREDQ-UHFFFAOYSA-N	0	0	352.369	3.112	40	30		FGEBRN
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	ZINC000252514569	497309388	/nfs/dbraw/zinc/30/93/88/497309388.db2.gz	CWPUUSLREALRNV-KURKYZTESA-N	0	0	359.834	3.297	40	30		FGEBRN
Cn1cc(C(=O)Nc2cncc(-c3nncn3C)c2)c(C2CCCCC2)n1	ZINC000328672086	498897120	/nfs/dbraw/zinc/89/71/20/498897120.db2.gz	HWPOAMKLKHSSLT-UHFFFAOYSA-N	0	0	365.441	3.295	40	30		FGEBRN
CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000408707721	499594110	/nfs/dbraw/zinc/59/41/10/499594110.db2.gz	CWAXRDAFTVZGCR-UHFFFAOYSA-N	0	0	373.497	3.384	40	30		FGEBRN
CCOC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC	ZINC000408912672	499595337	/nfs/dbraw/zinc/59/53/37/499595337.db2.gz	RMWLYITZYCQEBI-UHFFFAOYSA-N	0	0	366.369	3.100	40	30		FGEBRN
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc2c(c1)OCCO2	ZINC000408962369	499595439	/nfs/dbraw/zinc/59/54/39/499595439.db2.gz	HUYGPIBLCCJAPD-MHWRWJLKSA-N	0	0	356.378	3.489	40	30		FGEBRN
C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1)S(C)(=O)=O	ZINC000020105279	518806825	/nfs/dbraw/zinc/80/68/25/518806825.db2.gz	LQMQZAKLFPBFDV-MRXNPFEDSA-N	0	0	372.490	3.438	40	30		FGEBRN
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3)ncc2C#N)CC1	ZINC000087489424	518810537	/nfs/dbraw/zinc/81/05/37/518810537.db2.gz	IUUWTUGPCYNJNZ-UHFFFAOYSA-N	0	0	365.437	3.072	40	30		FGEBRN
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225082949	518811099	/nfs/dbraw/zinc/81/10/99/518811099.db2.gz	HWTWSGRMFKBWCF-UHFFFAOYSA-N	0	0	371.418	3.351	40	30		FGEBRN
C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cccs1	ZINC000225136588	518813761	/nfs/dbraw/zinc/81/37/61/518813761.db2.gz	QUVLCZOGODHLDQ-UHFFFAOYSA-N	0	0	351.449	3.224	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cn1	ZINC000225926643	519038447	/nfs/dbraw/zinc/03/84/47/519038447.db2.gz	GGSBHBUGDZPBEJ-UHFFFAOYSA-N	0	0	369.465	3.158	40	30		FGEBRN
Fc1cnc(N=NCc2ccc(-c3ccccc3)o2)nc1N1CCOCC1	ZINC000005151195	526421442	/nfs/dbraw/zinc/42/14/42/526421442.db2.gz	MDTPZHBMQDZUEO-UUYOSTAYSA-N	0	0	367.384	3.158	40	30		FGEBRN
O=C(/C=C\c1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccccc1[N+](=O)[O-]	ZINC000016973202	527659347	/nfs/dbraw/zinc/65/93/47/527659347.db2.gz	LDZOZIDZFFKDDX-HWAYABPNSA-N	0	0	352.302	3.368	40	30		FGEBRN
COCCN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O	ZINC000409050378	570716869	/nfs/dbraw/zinc/71/68/69/570716869.db2.gz	VDMQGILUNGOHBJ-UHFFFAOYSA-N	0	0	367.445	3.452	40	30		FGEBRN
CCOc1cc(Cl)c(CN=Nc2ncccc2[N+](=O)[O-])cc1OC	ZINC000409086588	570721553	/nfs/dbraw/zinc/72/15/53/570721553.db2.gz	FLPIWPCDRQSANM-GIJQJNRQSA-N	0	0	350.762	3.497	40	30		FGEBRN
COc1cc(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1C(C)C	ZINC000409341737	570751114	/nfs/dbraw/zinc/75/11/14/570751114.db2.gz	FTMCUTYNEYWZQE-UHFFFAOYSA-N	0	0	351.406	3.425	40	30		FGEBRN
CCNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000409374054	570754085	/nfs/dbraw/zinc/75/40/85/570754085.db2.gz	YFNSIQQXCFSNAF-CAOOACKPSA-N	0	0	352.803	3.326	40	30		FGEBRN
CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	ZINC000301055014	529805880	/nfs/dbraw/zinc/80/58/80/529805880.db2.gz	SFNSLLSYNZWZQG-LPHOPBHVSA-N	0	0	374.448	3.392	40	30		FGEBRN
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2ncccc2c1	ZINC000253372533	120318367	/nfs/dbraw/zinc/31/83/67/120318367.db2.gz	FSDOJDMOPZEXAH-IHPCNDPISA-N	0	0	352.434	3.057	40	30		FGEBRN
Cc1cc(/C=N\n2cnnc2)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000001097201	219368723	/nfs/dbraw/zinc/36/87/23/219368723.db2.gz	CFPIXPNEFUXRMA-AFPJDJCSSA-N	0	0	350.451	3.380	40	30		FGEBRN
Cc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc2c1	ZINC000001354462	219398375	/nfs/dbraw/zinc/39/83/75/219398375.db2.gz	PTIUOOGAIXCAHX-HNNXBMFYSA-N	0	0	355.463	3.111	40	30		FGEBRN
COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1cccc(C)c1	ZINC000225861007	222876336	/nfs/dbraw/zinc/87/63/36/222876336.db2.gz	AZQUEBDRWORINI-UHFFFAOYSA-N	0	0	374.444	3.489	40	30		FGEBRN
CC1C2=C(CC(C)(C)CC2=O)N(n2cnnc2)C2=C1C(=O)CC(C)(C)C2	ZINC000005416689	219676787	/nfs/dbraw/zinc/67/67/87/219676787.db2.gz	BSATXKILGCTONA-UHFFFAOYSA-N	0	0	354.454	3.152	40	30		FGEBRN
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000055664181	221073810	/nfs/dbraw/zinc/07/38/10/221073810.db2.gz	DVFJELJHJLCJPP-UHFFFAOYSA-N	0	0	350.827	3.057	40	30		FGEBRN
COc1ccccc1N1C(=O)C(=O)C(=C(C)O)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000066091545	221239968	/nfs/dbraw/zinc/23/99/68/221239968.db2.gz	MVNZVVVCBUYJBQ-KRWDZBQOSA-N	0	0	368.345	3.092	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCCC2)n1	ZINC000225924309	132249982	/nfs/dbraw/zinc/24/99/82/132249982.db2.gz	ZZKXTPOLTRRWQT-UHFFFAOYSA-N	0	0	374.558	3.320	40	30		FGEBRN
CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Br)cc1	ZINC000096532118	222124286	/nfs/dbraw/zinc/12/42/86/222124286.db2.gz	RDZHKUDMXRDWDA-UHFFFAOYSA-N	0	0	371.281	3.425	40	30		FGEBRN
O=C1c2ccccc2C(=O)C(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C1Cl	ZINC000100253613	222239830	/nfs/dbraw/zinc/23/98/30/222239830.db2.gz	LRXIEXKHUQKMSZ-UHFFFAOYSA-N	0	0	373.708	3.445	40	30		FGEBRN
O=[N+]([O-])c1cccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1	ZINC000019771898	263376509	/nfs/dbraw/zinc/37/65/09/263376509.db2.gz	AFDSHHOLWQSBQT-MOSHPQCFSA-N	0	0	358.829	3.400	40	30		FGEBRN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(O)c(OC)c1	ZINC000408736391	263493276	/nfs/dbraw/zinc/49/32/76/263493276.db2.gz	BLLALONRHSAEEI-LASGFXPTSA-N	0	0	352.390	3.085	40	30		FGEBRN
CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(N)=O)c21	ZINC000409136467	263532210	/nfs/dbraw/zinc/53/22/10/263532210.db2.gz	USLHWLCFWUUKJG-UHFFFAOYSA-N	0	0	358.397	3.152	40	30		FGEBRN
COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1	ZINC000409275818	263547096	/nfs/dbraw/zinc/54/70/96/263547096.db2.gz	LRRGQHJNPVWYCG-UHFFFAOYSA-N	0	0	372.222	3.358	40	30		FGEBRN
C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2	ZINC000004944289	493902460	/nfs/dbraw/zinc/90/24/60/493902460.db2.gz	QTVOUMIWBZSHME-HNNXBMFYSA-N	0	0	361.426	3.123	40	30		FGEBRN
COc1ccc(/C=C2\S/C(=N\c3ccccc3O)NC2=O)cc1OC	ZINC000005661838	493939256	/nfs/dbraw/zinc/93/92/56/493939256.db2.gz	PTYWZYFAINAPGZ-YBEGLDIGSA-N	0	0	356.403	3.301	40	30		FGEBRN
CCNC(=S)N/N=C(/c1ccc(OC)cc1)P(=O)(OCC)OCC	ZINC000005734119	493941833	/nfs/dbraw/zinc/94/18/33/493941833.db2.gz	OMHFNSMGNOMNSV-VKAVYKQESA-N	0	0	373.415	3.107	40	30		FGEBRN
CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(C#N)c3)n2)cn1	ZINC000035426099	494076236	/nfs/dbraw/zinc/07/62/36/494076236.db2.gz	YKFVYKFHGOKBJM-KRWDZBQOSA-N	0	0	360.421	3.382	40	30	biogenic,in-vitro	FGEBRN
C=CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(COC)nn2c1C	ZINC000040385234	494141664	/nfs/dbraw/zinc/14/16/64/494141664.db2.gz	NJRZEFGIJJYGLP-UHFFFAOYSA-N	0	0	372.812	3.242	40	30		FGEBRN
Cc1ccc2nc(NC3=NCN([C@H]4CCCC[C@H]4C)CN3)nc(C)c2c1	ZINC000019332604	494442592	/nfs/dbraw/zinc/44/25/92/494442592.db2.gz	AKQQYSYKXAIBQH-KDOFPFPSSA-N	0	0	352.486	3.223	40	30		FGEBRN
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000118917951	495053606	/nfs/dbraw/zinc/05/36/06/495053606.db2.gz	QREPSQOWKKIPJJ-NGESLJTNSA-N	0	0	360.494	3.057	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218449986	497001970	/nfs/dbraw/zinc/00/19/70/497001970.db2.gz	STTNTPUHXVNITG-QYZOEREBSA-N	0	0	359.422	3.230	40	30		FGEBRN
N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218437097	497002064	/nfs/dbraw/zinc/00/20/64/497002064.db2.gz	WJMHEDCEAQYCFT-JKSUJKDBSA-N	0	0	360.797	3.452	40	30		FGEBRN
CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218333117	497002633	/nfs/dbraw/zinc/00/26/33/497002633.db2.gz	FZWCZLYJFXVTEJ-CMKODMSKSA-N	0	0	369.442	3.008	40	30		FGEBRN
CCN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(=O)(=O)CC	ZINC000222393478	497023242	/nfs/dbraw/zinc/02/32/42/497023242.db2.gz	JRWBGWCHDLECLC-UHFFFAOYSA-N	0	0	371.462	3.181	40	30		FGEBRN
CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1	ZINC000222999354	497031654	/nfs/dbraw/zinc/03/16/54/497031654.db2.gz	VVSAPZNMUJYGMO-UHFFFAOYSA-N	0	0	359.407	3.122	40	30		FGEBRN
O=C[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225643972	497069603	/nfs/dbraw/zinc/06/96/03/497069603.db2.gz	HMTZHBTZFZNPHU-HRCADAONSA-N	0	0	365.248	3.204	40	30		FGEBRN
Cc1oc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C#N)c1C	ZINC000408592502	499592722	/nfs/dbraw/zinc/59/27/22/499592722.db2.gz	YRZUSVXJCFONOJ-RGVLZGJSSA-N	0	0	354.366	3.264	40	30		FGEBRN
CCCCCCCCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2	ZINC000408707819	499594109	/nfs/dbraw/zinc/59/41/09/499594109.db2.gz	RBHBSPSPWALXGZ-UHFFFAOYSA-N	0	0	362.470	3.288	40	30		FGEBRN
C=CCN(c1ccc(C(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1	ZINC000224367657	518806714	/nfs/dbraw/zinc/80/67/14/518806714.db2.gz	YTADQNLZRYTDCP-UHFFFAOYSA-N	0	0	358.463	3.206	40	30		FGEBRN
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225113965	518811859	/nfs/dbraw/zinc/81/18/59/518811859.db2.gz	FSJISGRBSSAFQS-UHFFFAOYSA-N	0	0	357.353	3.494	40	30		FGEBRN
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224898108	518812821	/nfs/dbraw/zinc/81/28/21/518812821.db2.gz	BGXTUWNFZYVFLF-UHFFFAOYSA-N	0	0	366.389	3.305	40	30		FGEBRN
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224797218	518814251	/nfs/dbraw/zinc/81/42/51/518814251.db2.gz	VPZHVPGMFKAHSY-UHFFFAOYSA-N	0	0	363.435	3.094	40	30		FGEBRN
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224774584	518820430	/nfs/dbraw/zinc/82/04/30/518820430.db2.gz	ZRZKFPGFIFHLIN-UHFFFAOYSA-N	0	0	362.407	3.293	40	30		FGEBRN
C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cn1	ZINC000225925121	519037711	/nfs/dbraw/zinc/03/77/11/519037711.db2.gz	CKNHWEJDEXETRJ-UHFFFAOYSA-N	0	0	369.421	3.290	40	30		FGEBRN
C=CCc1cc2c(cc1COCOCCOCCOCCCC)OCO2	ZINC000004896116	519134906	/nfs/dbraw/zinc/13/49/06/519134906.db2.gz	COBJDHYYLPOLLM-UHFFFAOYSA-N	0	0	366.454	3.468	40	30		FGEBRN
C=CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccncc1	ZINC000001225110	519201077	/nfs/dbraw/zinc/20/10/77/519201077.db2.gz	NVTREGWYEKHNEN-CQSZACIVSA-N	0	0	357.483	3.019	40	30		FGEBRN
COc1nc(N=NCc2ccc(C(C)C)cc2)nc(N2CCCCC2)n1	ZINC000006358943	524979249	/nfs/dbraw/zinc/97/92/49/524979249.db2.gz	IMXYSWMEIZINBD-DEDYPNTBSA-N	0	0	354.458	3.440	40	30		FGEBRN
COc1ccc2c(c1)O[C@H](C)C/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000032131505	525569021	/nfs/dbraw/zinc/56/90/21/525569021.db2.gz	SXICYXMRGFUXOA-ONBLHPBISA-N	0	0	370.361	3.264	40	30		FGEBRN
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000409090728	570722167	/nfs/dbraw/zinc/72/21/67/570722167.db2.gz	OARRBZVCQUCQCC-XFXZXTDPSA-N	0	0	365.838	3.298	40	30		FGEBRN
O=c1c2ccccc2ncn1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000409210205	570740568	/nfs/dbraw/zinc/74/05/68/570740568.db2.gz	FMBWVKPVSDAEPC-FBCYGCLPSA-N	0	0	363.160	3.494	40	30		FGEBRN
C#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000409239936	570743545	/nfs/dbraw/zinc/74/35/45/570743545.db2.gz	ORAXMANEGTZJDK-CPNJWEJPSA-N	0	0	355.397	3.367	40	30		FGEBRN
Cc1cc(N2CCCC2)c(C)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409341603	570751163	/nfs/dbraw/zinc/75/11/63/570751163.db2.gz	DWLKCJROOSRPOS-UHFFFAOYSA-N	0	0	362.433	3.201	40	30		FGEBRN
CC(=O)c1ccc(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)cc1	ZINC000409359375	570753340	/nfs/dbraw/zinc/75/33/40/570753340.db2.gz	OBDZIZKSNQVYOQ-UHFFFAOYSA-N	0	0	373.368	3.447	40	30		FGEBRN
Cc1cc(Br)ccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O	ZINC000409411386	571319597	/nfs/dbraw/zinc/31/95/97/571319597.db2.gz	HMCWDOAZBNKQHC-UHFFFAOYSA-N	0	0	374.238	3.046	40	30		FGEBRN
O=C(ON1C(=O)c2cccc3c(Cl)ccc(c32)C1=O)c1cccnc1	ZINC000138833692	704875681	/nfs/dbraw/zinc/87/56/81/704875681.db2.gz	RGHKTMFIECVAGR-UHFFFAOYSA-N	0	0	352.733	3.256	40	30		FGEBRN
N#Cc1cccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c1	ZINC000329056733	223131145	/nfs/dbraw/zinc/13/11/45/223131145.db2.gz	VUGAPQHDIWITQC-UHFFFAOYSA-N	0	0	356.433	3.352	40	30		FGEBRN
O=C(NC1CCCC1)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1	ZINC000012132120	219958589	/nfs/dbraw/zinc/95/85/89/219958589.db2.gz	BIADKTQPMJKFMT-UHFFFAOYSA-N	0	0	356.429	3.340	40	30		FGEBRN
CCOC(=O)c1ccc(NC(CCN2CCOCC2)=NC(C)(C)C)cc1	ZINC000017123071	220207789	/nfs/dbraw/zinc/20/77/89/220207789.db2.gz	QXIFLQCJLCNKLL-UHFFFAOYSA-N	0	0	361.486	3.004	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1	ZINC000225926099	132249906	/nfs/dbraw/zinc/24/99/06/132249906.db2.gz	AGMGRIZBBRRLKH-GHMZBOCLSA-N	0	0	373.448	3.450	40	30		FGEBRN
O=S1(=O)CC[C@H](N(/N=C/c2c[nH]c3ccccc23)c2ccccc2)C1	ZINC000005330095	263340196	/nfs/dbraw/zinc/34/01/96/263340196.db2.gz	LOGHWOKNQJTQBK-RSZPVBOMSA-N	0	0	353.447	3.196	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1	ZINC000020457600	263380015	/nfs/dbraw/zinc/38/00/15/263380015.db2.gz	PYBZJXFNRSLJDF-AWEZNQCLSA-N	0	0	354.406	3.017	40	30		FGEBRN
COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)NC1=O)OCO2	ZINC000409063867	263521956	/nfs/dbraw/zinc/52/19/56/263521956.db2.gz	ALTGVBNHWDTNSU-LZYBPNLTSA-N	0	0	354.387	3.316	40	30		FGEBRN
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1	ZINC000409293468	263548326	/nfs/dbraw/zinc/54/83/26/263548326.db2.gz	KJHSCHWCVDKWKJ-UHFFFAOYSA-N	0	0	372.222	3.309	40	30		FGEBRN
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1	ZINC000003592998	493855453	/nfs/dbraw/zinc/85/54/53/493855453.db2.gz	SAZKNDVUQYAVGF-UHFFFAOYSA-N	0	0	366.402	3.348	40	30		FGEBRN
CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O	ZINC000003941595	493861330	/nfs/dbraw/zinc/86/13/30/493861330.db2.gz	NKPHEWJJTGPRSL-OCCSQVGLSA-N	0	0	368.368	3.068	40	30	in-vitro	FGEBRN
COc1cc(C=NNc2nc(O)cs2)ccc1OCc1cccc(C)c1	ZINC000059194271	493902926	/nfs/dbraw/zinc/90/29/26/493902926.db2.gz	SNCCZRAIFZZXKG-KEBDBYFISA-N	0	0	369.446	3.136	40	30		FGEBRN
O=[N+]([O-])c1ccc(N=NCc2ccc(Br)o2)c([N+](=O)[O-])c1	ZINC000005568355	493935444	/nfs/dbraw/zinc/93/54/44/493935444.db2.gz	FVCJJPLSBYRPQA-AWNIVKPZSA-N	0	0	355.104	3.305	40	30		FGEBRN
CCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1OCC	ZINC000007360945	494017376	/nfs/dbraw/zinc/01/73/76/494017376.db2.gz	HDURXKHLSBODCG-UHFFFAOYSA-N	0	0	360.435	3.351	40	30		FGEBRN
C=CCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC	ZINC000007504838	494025994	/nfs/dbraw/zinc/02/59/94/494025994.db2.gz	GABZVCOYKVOBON-UHFFFAOYSA-N	0	0	366.461	3.395	40	30		FGEBRN
COC[C@@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000218362068	497002868	/nfs/dbraw/zinc/00/28/68/497002868.db2.gz	RFLKWMVSTSCAJK-UFYCRDLUSA-N	0	0	355.459	3.400	40	30		FGEBRN
N#C[C@]1(C=O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000252514068	497309270	/nfs/dbraw/zinc/30/92/70/497309270.db2.gz	BBVPMVVRZBBECS-BBWFWOEESA-N	0	0	363.797	3.128	40	30		FGEBRN
N#C[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1	ZINC000252516215	497309585	/nfs/dbraw/zinc/30/95/85/497309585.db2.gz	QNYPUCCLMNBFOY-OAGGEKHMSA-N	0	0	367.257	3.154	40	30		FGEBRN
Nc1ccc(CCN2CCCC/C2=N/S(=O)(=O)c2ccccc2)cc1	ZINC000575440679	505976731	/nfs/dbraw/zinc/97/67/31/505976731.db2.gz	LEPJQUCPARWIPK-VZCXRCSSSA-N	0	0	357.479	3.085	40	30	in-vitro	FGEBRN
C=CCN1C(=O)/C(=C\c2cc(Br)c(O)cc2O)SC1=S	ZINC000408719149	499594259	/nfs/dbraw/zinc/59/42/59/499594259.db2.gz	HUFSDCZLZDYOMT-VZUCSPMQSA-N	0	0	372.265	3.248	40	30		FGEBRN
C/N=C1\S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1C	ZINC000408776524	499594792	/nfs/dbraw/zinc/59/47/92/499594792.db2.gz	ZZBQUDDYNPKFTD-OHBFYCIKSA-N	0	0	370.390	3.314	40	30		FGEBRN
CC(=NNc1nnc(SCC(=O)c2ccccc2)[nH]1)c1cccnc1	ZINC000058978760	518467555	/nfs/dbraw/zinc/46/75/55/518467555.db2.gz	XELTZARDCOXUME-UDWIEESQSA-N	0	0	352.423	3.011	40	30		FGEBRN
C=CCN(Cc1ccc(C(=O)NCCC)cc1)S(=O)(=O)c1ccccc1	ZINC000224472298	518777903	/nfs/dbraw/zinc/77/79/03/518777903.db2.gz	FGWLULDDMBLDQD-UHFFFAOYSA-N	0	0	372.490	3.203	40	30		FGEBRN
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224890786	518814388	/nfs/dbraw/zinc/81/43/88/518814388.db2.gz	WYGBYEPZGVZHGW-UHFFFAOYSA-N	0	0	374.462	3.425	40	30		FGEBRN
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224890655	518822360	/nfs/dbraw/zinc/82/23/60/518822360.db2.gz	JPHJLKGUDKXSOE-UHFFFAOYSA-N	0	0	374.462	3.425	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1	ZINC000038855798	518941358	/nfs/dbraw/zinc/94/13/58/518941358.db2.gz	AQFVDNGCWUSURZ-UHFFFAOYSA-N	0	0	374.444	3.408	40	30		FGEBRN
COc1cc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)ccc1O	ZINC000016677833	522003724	/nfs/dbraw/zinc/00/37/24/522003724.db2.gz	TWOVPXJLYZAGRE-BKUYFWCQSA-N	0	0	359.857	3.206	40	30		FGEBRN
COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2OC)c(OC)c1	ZINC000018024834	523437687	/nfs/dbraw/zinc/43/76/87/523437687.db2.gz	GBDTXBWYRXGCTF-JFMUQQRKSA-N	0	0	356.422	3.259	40	30		FGEBRN
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccn3)ccc2C#N)CC1	ZINC000022115437	534840576	/nfs/dbraw/zinc/84/05/76/534840576.db2.gz	ZFYAQKICBPBLQT-UHFFFAOYSA-N	0	0	365.437	3.072	40	30		FGEBRN
Cc1nnc(N=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)n1N	ZINC000005943319	526354143	/nfs/dbraw/zinc/35/41/43/526354143.db2.gz	VPOARHHAWKOWFJ-ZBKNUEDVSA-N	0	0	350.304	3.025	40	30		FGEBRN
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cccs2)S1	ZINC000409076286	570719114	/nfs/dbraw/zinc/71/91/14/570719114.db2.gz	ALLQHUGHGWCEEF-LUAWRHEFSA-N	0	0	351.449	3.096	40	30		FGEBRN
C=CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OC	ZINC000409082749	570720198	/nfs/dbraw/zinc/72/01/98/570720198.db2.gz	QXUFOZMNVVCJEH-VBKFSLOCSA-N	0	0	356.422	3.485	40	30		FGEBRN
N#C[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218529066	222683018	/nfs/dbraw/zinc/68/30/18/222683018.db2.gz	QNYPUCCLMNBFOY-JYJNAYRXSA-N	0	0	367.257	3.154	40	30		FGEBRN
C=CCOc1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1	ZINC000219644088	222704569	/nfs/dbraw/zinc/70/45/69/222704569.db2.gz	QKZSNICGASOVLH-UHFFFAOYSA-N	0	0	365.389	3.240	40	30		FGEBRN
CC[C@H]1CCc2c(C#N)c(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)sc2C1	ZINC000013322474	220064243	/nfs/dbraw/zinc/06/42/43/220064243.db2.gz	KUIIAAFIFVHUFW-IHRRRGAJSA-N	0	0	361.511	3.182	40	30		FGEBRN
N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1	ZINC000016523790	220186544	/nfs/dbraw/zinc/18/65/44/220186544.db2.gz	UUXPJKLUAYRPQV-LBPRGKRZSA-N	0	0	358.188	3.459	40	30		FGEBRN
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	ZINC000019460737	220260906	/nfs/dbraw/zinc/26/09/06/220260906.db2.gz	BTWOHIIKTHRZBZ-VGOFRKELSA-N	0	0	370.468	3.493	40	30		FGEBRN
Cc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@@H](C)CC1=O)N2	ZINC000022608121	220390662	/nfs/dbraw/zinc/39/06/62/220390662.db2.gz	BJCFJWMOTDPJDU-VPTHRUTESA-N	0	0	373.800	3.416	40	30		FGEBRN
Cc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@H](C)CC1=O)N2	ZINC000022608119	220391665	/nfs/dbraw/zinc/39/16/65/220391665.db2.gz	BJCFJWMOTDPJDU-ZKANADHPSA-N	0	0	373.800	3.416	40	30		FGEBRN
COc1cccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3nc(SC)nn32)c1	ZINC000022608357	220391677	/nfs/dbraw/zinc/39/16/77/220391677.db2.gz	MLTQMNRPCWJDGC-QLJPJBMISA-N	0	0	356.451	3.277	40	30		FGEBRN
CCOc1ccc(CN=Nc2cc(-n3nc(C)cc3C)nc(C)n2)c(O)c1	ZINC000004595611	263334407	/nfs/dbraw/zinc/33/44/07/263334407.db2.gz	XGAYXZYVGARJMG-RGVLZGJSSA-N	0	0	366.425	3.138	40	30		FGEBRN
COc1ccc(C2N=NC(=S)N2N=Cc2cccc(OC)c2OC)cc1	ZINC000004679873	263335646	/nfs/dbraw/zinc/33/56/46/263335646.db2.gz	FGJZHGMTSRAKPP-ODLFYWEKSA-N	0	0	370.434	3.142	40	30		FGEBRN
CCOc1ccc(/C=N/OCC(=O)Nc2ccccc2OC)cc1OC	ZINC000005397411	263341017	/nfs/dbraw/zinc/34/10/17/263341017.db2.gz	NPNKNSBBHCVXEQ-UDWIEESQSA-N	0	0	358.394	3.092	40	30		FGEBRN
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)c1	ZINC000216776527	263457824	/nfs/dbraw/zinc/45/78/24/263457824.db2.gz	VPGOXDLCGXUYRK-NRFANRHFSA-N	0	0	359.433	3.038	40	30		FGEBRN
CCOc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OC	ZINC000408748880	263495310	/nfs/dbraw/zinc/49/53/10/263495310.db2.gz	CLSYXEZYAXZXAK-LSCVHKIXSA-N	0	0	350.762	3.497	40	30		FGEBRN
C=CCNC(=S)NN=Cc1cccc(OCCOc2ccc(C)cc2)c1	ZINC000004196555	493869050	/nfs/dbraw/zinc/86/90/50/493869050.db2.gz	CDVZPHHBAKHRFF-UHFFFAOYSA-N	0	0	369.490	3.437	40	30		FGEBRN
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCC=C)[nH]c(=O)c32)cc1	ZINC000004944411	493903025	/nfs/dbraw/zinc/90/30/25/493903025.db2.gz	GKJLBJUBJFPSTG-CQSZACIVSA-N	0	0	369.446	3.087	40	30		FGEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(OC)c2)S1	ZINC000004974015	493905080	/nfs/dbraw/zinc/90/50/80/493905080.db2.gz	VFLCEEKFNGVMNQ-YBEGLDIGSA-N	0	0	356.403	3.301	40	30		FGEBRN
CC1(C)[C@@H]2CC[C@@]1(C(=O)NC1CCCCCC1)c1nc(C#N)c(C#N)nc12	ZINC000005204491	493919347	/nfs/dbraw/zinc/91/93/47/493919347.db2.gz	WFBKWPMTSJTYDR-SZNDQCEHSA-N	0	0	363.465	3.214	40	30		FGEBRN
CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000005634249	493938426	/nfs/dbraw/zinc/93/84/26/493938426.db2.gz	BQZNEKDUAXITEY-MRXNPFEDSA-N	0	0	371.776	3.277	40	30		FGEBRN
N#Cc1c(N)oc2c1[C@@H](c1ccccc1)S(=O)(=O)[C@H]2c1ccccc1	ZINC000005684769	493939242	/nfs/dbraw/zinc/93/92/42/493939242.db2.gz	UDCWPLCEVLZYIO-MSOLQXFVSA-N	0	0	350.399	3.341	40	30		FGEBRN
O=C(CO/N=C/c1ccccc1O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000005770511	493942718	/nfs/dbraw/zinc/94/27/18/493942718.db2.gz	ZRFCCPOLRJGHSW-IGCPIRJNSA-N	0	0	360.238	3.077	40	30		FGEBRN
COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1	ZINC000006248153	493956559	/nfs/dbraw/zinc/95/65/59/493956559.db2.gz	KOARREXLUDCFAF-GDNBJRDFSA-N	0	0	355.375	3.495	40	30		FGEBRN
C#CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000033746183	494062912	/nfs/dbraw/zinc/06/29/12/494062912.db2.gz	WSRSYAZCRZWMFY-UHFFFAOYSA-N	0	0	350.487	3.192	40	30		FGEBRN
C/C(=N\N)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918523	495053792	/nfs/dbraw/zinc/05/37/92/495053792.db2.gz	BAGRWRUJCMXJQI-VHXPMSRCSA-N	0	0	358.530	3.330	40	30		FGEBRN
COC(=O)c1ccccc1N(CCCC#N)S(=O)(=O)c1ccc(C)cc1	ZINC000138489048	495462877	/nfs/dbraw/zinc/46/28/77/495462877.db2.gz	YWWABXVTNCTBPZ-UHFFFAOYSA-N	0	0	372.446	3.281	40	30		FGEBRN
COC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218056173	497000625	/nfs/dbraw/zinc/00/06/25/497000625.db2.gz	WOPVTRZZWMQKRO-SQNIBIBYSA-N	0	0	361.850	3.436	40	30		FGEBRN
COc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c(OC)c1	ZINC000253617004	497346982	/nfs/dbraw/zinc/34/69/82/497346982.db2.gz	SITAPRSEDPVTLI-UHFFFAOYSA-N	0	0	354.435	3.442	40	30		FGEBRN
COC1=C(Oc2ccccc2)C(=O)C(OC)=C(Oc2ccccc2)C1=O	ZINC000255188980	497360545	/nfs/dbraw/zinc/36/05/45/497360545.db2.gz	MXEPIAKEGAAZMJ-UHFFFAOYSA-N	0	0	352.342	3.012	40	30		FGEBRN
CC(=O)Nc1ccc(Nc2cc(C(F)(F)F)nc(NCCCO)n2)cc1	ZINC000329069001	499032223	/nfs/dbraw/zinc/03/22/23/499032223.db2.gz	YTZKLLQWYVFZBN-UHFFFAOYSA-N	0	0	369.347	3.063	40	30		FGEBRN
O=C(NCc1c(F)cccc1N1CCCC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC000329340413	499103758	/nfs/dbraw/zinc/10/37/58/499103758.db2.gz	OGCWLKHLEKEAJV-AEFFLSMTSA-N	0	0	374.460	3.423	40	30		FGEBRN
C=CCc1cc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1OC	ZINC000408702886	499593883	/nfs/dbraw/zinc/59/38/83/499593883.db2.gz	JNVDQWZIWYZVQQ-UHFFFAOYSA-N	0	0	374.462	3.072	40	30		FGEBRN
C=CCN1C(=O)/C(=C\c2ccccc2O)C(=O)N(c2ccccc2)C1=S	ZINC000408729906	499594586	/nfs/dbraw/zinc/59/45/86/499594586.db2.gz	KRZMWUGCNZGXCH-DTQAZKPQSA-N	0	0	364.426	3.122	40	30		FGEBRN
COc1ccccc1/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	ZINC000408801408	499595067	/nfs/dbraw/zinc/59/50/67/499595067.db2.gz	SWAYIEHQZYWYHN-FPJJECCMSA-N	0	0	368.433	3.120	40	30		FGEBRN
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=Nc1ccccc1	ZINC000409018833	499595780	/nfs/dbraw/zinc/59/57/80/499595780.db2.gz	ZLTVEMOKWKBIEZ-YDPVLUQWSA-N	0	0	369.446	3.350	40	30		FGEBRN
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OC	ZINC000409066309	499595818	/nfs/dbraw/zinc/59/58/18/499595818.db2.gz	BOUZEMYTNPAYLB-GIJQJNRQSA-N	0	0	350.762	3.497	40	30		FGEBRN
N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(c2cnccn2)CC3)cc1	ZINC000585100047	507566157	/nfs/dbraw/zinc/56/61/57/507566157.db2.gz	DFAXGADMNBGTGP-OAQYLSRUSA-N	0	0	361.449	3.014	40	30		FGEBRN
COc1cc(/C=N/OC(C)=O)ccc1OCc1nc2ccccc2nc1C	ZINC000016265398	521999806	/nfs/dbraw/zinc/99/98/06/521999806.db2.gz	CVMVKSFQQKPOMB-SRZZPIQSSA-N	0	0	365.389	3.423	40	30		FGEBRN
CC[C@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O	ZINC000001752250	523536635	/nfs/dbraw/zinc/53/66/35/523536635.db2.gz	JWGFSVXRBPUQLO-HXUWFJFHSA-N	0	0	351.406	3.437	40	30		FGEBRN
COc1cccc(/C=N/N2C(=O)CN(C(C)C)[C@@H]2c2cccc(OC)c2)c1	ZINC000408975185	570705881	/nfs/dbraw/zinc/70/58/81/570705881.db2.gz	KCTNYQOVNKVXKH-UKKLRFBMSA-N	0	0	367.449	3.289	40	30		FGEBRN
COC(=O)COc1ccccc1CN=Nc1ccc(C(F)(F)F)cn1	ZINC000409095412	570720806	/nfs/dbraw/zinc/72/08/06/570720806.db2.gz	CJAQDHWLLQGOLA-ODCIPOBUSA-N	0	0	353.300	3.098	40	30		FGEBRN
COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C)c([N+](=O)[O-])c1	ZINC000409237597	570743151	/nfs/dbraw/zinc/74/31/51/570743151.db2.gz	AGAFIILFNTUVDH-MOSHPQCFSA-N	0	0	355.394	3.499	40	30		FGEBRN
Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1C	ZINC000409302317	570749234	/nfs/dbraw/zinc/74/92/34/570749234.db2.gz	DCLSSFVGZOMBHE-UHFFFAOYSA-N	0	0	373.254	3.305	40	30		FGEBRN
CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218471509	222682064	/nfs/dbraw/zinc/68/20/64/222682064.db2.gz	HITWJLUVHAKRPZ-CEXWTWQISA-N	0	0	359.422	3.312	40	30		FGEBRN
CCNC(=S)N/N=C(\c1ccc(OC)cc1)P(=O)(OCC)OCC	ZINC000001763031	219417504	/nfs/dbraw/zinc/41/75/04/219417504.db2.gz	OMHFNSMGNOMNSV-SAPNQHFASA-N	0	0	373.415	3.107	40	30		FGEBRN
Cc1ccc2c(C)nc(NC3=NCN([C@H]4CCC[C@@H](C)[C@H]4C)CN3)nc2c1	ZINC000016994371	220199564	/nfs/dbraw/zinc/19/95/64/220199564.db2.gz	UVJAURJSRPJZJF-CLCXKQKWSA-N	0	0	366.513	3.469	40	30		FGEBRN
C=CCNc1ncc(-c2cc(OC)nc(OC)n2)c(-c2cccs2)n1	ZINC000019550383	220270842	/nfs/dbraw/zinc/27/08/42/220270842.db2.gz	WSAXPTBVFYHMOB-UHFFFAOYSA-N	0	0	355.423	3.277	40	30		FGEBRN
CCOC(=O)c1sc(SC)c(C#N)c1I	ZINC000032914938	220697602	/nfs/dbraw/zinc/69/76/02/220697602.db2.gz	DZRKPIICYODVAO-UHFFFAOYSA-N	0	0	353.206	3.123	40	30		FGEBRN
COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccccc2OC)cc1	ZINC000066091547	221240594	/nfs/dbraw/zinc/24/05/94/221240594.db2.gz	MTOYTMBGKOEARK-SFHVURJKSA-N	0	0	353.374	3.193	40	30		FGEBRN
C=C(C)COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000219787579	533518213	/nfs/dbraw/zinc/51/82/13/533518213.db2.gz	SOXKYYPXTFQAMF-UHFFFAOYSA-N	0	0	366.461	3.408	40	30		FGEBRN
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1	ZINC000225924158	132250003	/nfs/dbraw/zinc/25/00/03/132250003.db2.gz	MAVLIWDBKGLKGH-HNNXBMFYSA-N	0	0	374.558	3.318	40	30		FGEBRN
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc2ncccc2c1	ZINC000096249953	222099890	/nfs/dbraw/zinc/09/98/90/222099890.db2.gz	FSDOJDMOPZEXAH-YSIASYRMSA-N	0	0	352.434	3.057	40	30		FGEBRN
CCCCCCNC1=C(OC)C(=O)C(NCCCCCC)=C(OC)C1=O	ZINC000100314479	222241304	/nfs/dbraw/zinc/24/13/04/222241304.db2.gz	SCTKPANJCGRCJC-UHFFFAOYSA-N	0	0	366.502	3.194	40	30		FGEBRN
CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(N(C)C)cc3)N[C@H]2NN1	ZINC000100998579	222258897	/nfs/dbraw/zinc/25/88/97/222258897.db2.gz	NWKTUUJCENYCME-HOJAQTOUSA-N	0	0	352.482	3.004	40	30		FGEBRN
CC(=O)Nc1ccc(S(=O)(=O)/N=C(/C2CCCC2)N2CCCC2)cc1	ZINC000104075328	222351033	/nfs/dbraw/zinc/35/10/33/222351033.db2.gz	DSTWNGREXVWICZ-ZZEZOPTASA-N	0	0	363.483	3.018	40	30		FGEBRN
CCCC(NC)=C1C(=O)C[C@@H](C[C@@H](C)SCC)[C@@H](C(=O)OCC)C1=O	ZINC000104423958	222357267	/nfs/dbraw/zinc/35/72/67/222357267.db2.gz	GDYKIPWWXDATPK-YITAFCLASA-N	0	0	369.527	3.129	40	30		FGEBRN
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1	ZINC000030320100	263391074	/nfs/dbraw/zinc/39/10/74/263391074.db2.gz	ZQHUNRWIIPMBKE-UHFFFAOYSA-N	0	0	361.463	3.389	40	30		FGEBRN
N#Cc1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCCCC2	ZINC000002742932	493817060	/nfs/dbraw/zinc/81/70/60/493817060.db2.gz	LTYBBYHAWZOOHE-UHFFFAOYSA-N	0	0	359.411	3.022	40	30		FGEBRN
CCCOc1c(Br)cc(/C=N/NC(=S)NCC)cc1OC	ZINC000003577229	493854329	/nfs/dbraw/zinc/85/43/29/493854329.db2.gz	ZDHZOHMFKPBQMU-RQZCQDPDSA-N	0	0	374.304	3.064	40	30		FGEBRN
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1)n1[nH]c(=O)cc1N	ZINC000004538955	493881560	/nfs/dbraw/zinc/88/15/60/493881560.db2.gz	KDYAKARYKLSQMC-ACJLOTCBSA-N	0	0	361.430	3.359	40	30		FGEBRN
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)cc1Br	ZINC000005024092	493908719	/nfs/dbraw/zinc/90/87/19/493908719.db2.gz	WBSFXZTVKOZXJL-NFOPDKNASA-N	0	0	373.250	3.289	40	30		FGEBRN
C#CCOc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1	ZINC000006295386	493957286	/nfs/dbraw/zinc/95/72/86/493957286.db2.gz	UDVJHULNCXVVBO-QGZVFWFLSA-N	0	0	368.483	3.065	40	30		FGEBRN
Cn1c2ccccc2[nH]c1=NN=Cc1ccc(I)o1	ZINC000007343349	494016343	/nfs/dbraw/zinc/01/63/43/494016343.db2.gz	CTOCCHVWQNGGNE-OVCLIPMQSA-N	0	0	366.162	3.217	40	30		FGEBRN
O=[N+]([O-])c1cccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c1	ZINC000034714867	494067929	/nfs/dbraw/zinc/06/79/29/494067929.db2.gz	HTPRRTBUJOHTEA-ODLFYWEKSA-N	0	0	358.467	3.362	40	30		FGEBRN
COCCn1c(C(=O)NCCC#N)cc2c1c1ccccc1n2C(C)C	ZINC000096037334	494997268	/nfs/dbraw/zinc/99/72/68/494997268.db2.gz	PCXZYAVPWHEFJL-UHFFFAOYSA-N	0	0	352.438	3.467	40	30		FGEBRN
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C=O)cc1	ZINC000218127277	497001089	/nfs/dbraw/zinc/00/10/89/497001089.db2.gz	BKBNHTNUGHKWSB-IKGGRYGDSA-N	0	0	350.823	3.103	40	30		FGEBRN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	ZINC000218485677	497003751	/nfs/dbraw/zinc/00/37/51/497003751.db2.gz	VPNHDICAGDPECL-BZSNNMDCSA-N	0	0	359.834	3.297	40	30		FGEBRN
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1	ZINC000218519270	497003846	/nfs/dbraw/zinc/00/38/46/497003846.db2.gz	CLMHGDADCKOMCX-HSALFYBXSA-N	0	0	353.443	3.206	40	30		FGEBRN
C=CCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2	ZINC000222927912	497029535	/nfs/dbraw/zinc/02/95/35/497029535.db2.gz	QHYYURGACSAZKA-UHFFFAOYSA-N	0	0	364.445	3.499	40	30		FGEBRN
C=CCOc1cccc(CN(C)S(=O)(=O)c2cc(F)ccc2OC)c1	ZINC000223754872	497043273	/nfs/dbraw/zinc/04/32/73/497043273.db2.gz	WIEWGMWGVSZWOV-UHFFFAOYSA-N	0	0	365.426	3.220	40	30		FGEBRN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	ZINC000225656070	497070855	/nfs/dbraw/zinc/07/08/55/497070855.db2.gz	WVGMOKCEXWYOMF-AQNXPRMDSA-N	0	0	355.459	3.345	40	30		FGEBRN
COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1	ZINC000225775084	497075145	/nfs/dbraw/zinc/07/51/45/497075145.db2.gz	CIASEJFAWHSIET-UHFFFAOYSA-N	0	0	354.381	3.393	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252514254	497309207	/nfs/dbraw/zinc/30/92/07/497309207.db2.gz	BKQLFPNIVKCSPT-RCCFBDPRSA-N	0	0	361.850	3.436	40	30		FGEBRN
COC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	ZINC000252514946	497309620	/nfs/dbraw/zinc/30/96/20/497309620.db2.gz	FJBZOHUXLUKREY-XUVXKRRUSA-N	0	0	371.458	3.100	40	30		FGEBRN
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@@H](C)C(=O)C=C[C@]1(C)O	ZINC000253390398	497330211	/nfs/dbraw/zinc/33/02/11/497330211.db2.gz	BIGBTKXKWUHWLH-FERDWTOESA-N	0	0	350.455	3.012	40	30	biogenic,in-vitro	FGEBRN
CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000408719611	499594614	/nfs/dbraw/zinc/59/46/14/499594614.db2.gz	ZMZVQIFPQGRZRK-INIZCTEOSA-N	0	0	357.391	3.237	40	30		FGEBRN
COc1ccc(Br)cc1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000408748834	499594865	/nfs/dbraw/zinc/59/48/65/499594865.db2.gz	CFSLHOWPNSGPRU-APSNUPSMSA-N	0	0	351.160	3.207	40	30		FGEBRN
N#Cc1ccc(Nc2cnc([C@@H]3CCCCN3Cc3ccncc3)cn2)cn1	ZINC000585293683	507586893	/nfs/dbraw/zinc/58/68/93/507586893.db2.gz	JTFQINADNDPZBJ-FQEVSTJZSA-N	0	0	371.448	3.031	40	30		FGEBRN
N#Cc1cccc(C2(NC(=O)c3c(F)cc(C#N)cc3F)CCOCC2)c1	ZINC000598872444	507653470	/nfs/dbraw/zinc/65/34/70/507653470.db2.gz	SUBJLFWVGHBQKS-UHFFFAOYSA-N	0	0	367.355	3.144	40	30		FGEBRN
C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)cc1	ZINC000224691801	518814482	/nfs/dbraw/zinc/81/44/82/518814482.db2.gz	SFNCCBLLVAMCOY-UHFFFAOYSA-N	0	0	359.447	3.471	40	30		FGEBRN
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225021763	518822498	/nfs/dbraw/zinc/82/24/98/518822498.db2.gz	DAWFXUZZXGMCPH-UHFFFAOYSA-N	0	0	362.407	3.375	40	30		FGEBRN
CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000020196748	520851941	/nfs/dbraw/zinc/85/19/41/520851941.db2.gz	JXLFCVINZKBYIW-YBFXNURJSA-N	0	0	359.382	3.134	40	30		FGEBRN
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Cl)cc1OC	ZINC000409108856	570727303	/nfs/dbraw/zinc/72/73/03/570727303.db2.gz	WPGZYQUMFSKYRD-GIJQJNRQSA-N	0	0	350.762	3.497	40	30		FGEBRN
O=C(COc1ccc(/C=N\c2ccc(Cl)cc2O)cc1)N1CCOCC1	ZINC000409237156	570743041	/nfs/dbraw/zinc/74/30/41/570743041.db2.gz	HTDWUARWSXOOMH-MTJSOVHGSA-N	0	0	374.824	3.034	40	30		FGEBRN
CCOc1cc(C=NN2C(=O)CSC2=S)ccc1OCC(C)C	ZINC000409343316	570751299	/nfs/dbraw/zinc/75/12/99/570751299.db2.gz	GNAXFGWUCSGOJQ-CAOOACKPSA-N	0	0	352.481	3.314	40	30		FGEBRN
N#Cc1ccc(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)cc1	ZINC000409347140	570752210	/nfs/dbraw/zinc/75/22/10/570752210.db2.gz	MKEVSHMNABKABS-UHFFFAOYSA-N	0	0	356.341	3.116	40	30		FGEBRN