smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1	ZINC000005657519	1053319725	/nfs/dbraw/zinc/31/97/25/1053319725.db2.gz	ARKQSTIMTKDNMX-VBKFSLOCSA-N	-1	0	349.411	4.151	50	30		EIEARM
O=C([O-])C(Cl)=C(Cl)C(=O)Nc1ccccc1C(F)(F)F	ZINC000017176594	201988105	/nfs/dbraw/zinc/98/81/05/201988105.db2.gz	FVKVSAGSMXZGHE-FPLPWBNLSA-N	-1	0	328.073	4.067	50	30		EIEARM
COc1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])cc2C)cc1	ZINC000004677002	201611068	/nfs/dbraw/zinc/61/10/68/201611068.db2.gz	HSGFZAINZQILPF-FYJGNVAPSA-N	-1	0	334.375	4.243	50	30		EIEARM
O=C1C[C@H](c2ccccc2)N1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000071283025	203089504	/nfs/dbraw/zinc/08/95/04/203089504.db2.gz	PTKZEHUFMFFLEM-MRGVZLDZSA-N	-1	0	335.190	4.007	50	30		EIEARM
Cc1cc(=O)[n-]c(N=NC(N=Nc2ccccc2C)c2ccccc2)n1	ZINC000008927699	258053818	/nfs/dbraw/zinc/05/38/18/258053818.db2.gz	UOJQQOPRXHEBHJ-KEHXRJDYSA-N	-1	0	346.394	4.357	50	30		EIEARM
O=C([O-])CCCCC(=NNc1ccccc1Cl)c1ccccn1	ZINC000005268768	527576618	/nfs/dbraw/zinc/57/66/18/527576618.db2.gz	KWLCIAVHKPBXGK-LTGZKZEYSA-N	-1	0	331.803	4.196	50	30		EIEARM
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1	ZINC000006536835	527615953	/nfs/dbraw/zinc/61/59/53/527615953.db2.gz	LWCCJWPDZSJHGM-KPKJPENVSA-N	-1	0	332.355	4.199	50	30		EIEARM
FC(F)(F)c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000001240385	563381065	/nfs/dbraw/zinc/38/10/65/563381065.db2.gz	GTDYZFGBEDRRDL-QGMBQPNBSA-N	-1	0	338.314	4.102	50	30		EIEARM
Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001254515	563381662	/nfs/dbraw/zinc/38/16/62/563381662.db2.gz	BOZXHBBXDMIVJD-GIJQJNRQSA-N	-1	0	332.791	4.282	50	30		EIEARM
Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1	ZINC000002763329	563610878	/nfs/dbraw/zinc/61/08/78/563610878.db2.gz	LQAMUWXYBRIOFC-VIFPVBQESA-N	-1	0	345.258	4.314	50	30		EIEARM
N#CC(C#N)[C@H](c1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(Cl)cc1	ZINC000004813419	563975025	/nfs/dbraw/zinc/97/50/25/563975025.db2.gz	WMWLHSODLDXLIS-MRXNPFEDSA-N	-1	0	348.793	4.231	50	30		EIEARM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2C)c1[O-]	ZINC000000295829	563990311	/nfs/dbraw/zinc/99/03/11/563990311.db2.gz	GNGUMSSCUYJLPI-GIJQJNRQSA-N	-1	0	334.759	4.412	50	30		EIEARM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccsc1	ZINC000103513070	564022664	/nfs/dbraw/zinc/02/26/64/564022664.db2.gz	PFSPULATNRSYEM-OAHLLOKOSA-N	-1	0	336.416	4.062	50	30		EIEARM
Cc1cccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)c1	ZINC000105758207	564025308	/nfs/dbraw/zinc/02/53/08/564025308.db2.gz	RAGDFOYETCXZGK-FMIVXFBMSA-N	-1	0	339.338	4.367	50	30		EIEARM
N#Cc1c([S-])[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1	ZINC000005763619	564033120	/nfs/dbraw/zinc/03/31/20/564033120.db2.gz	DTZDMUSONIRJHL-UHFFFAOYSA-N	-1	0	348.250	4.206	50	30		EIEARM
CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000005978214	564057389	/nfs/dbraw/zinc/05/73/89/564057389.db2.gz	BGKHCLZFGPIKKU-AHUSATQRSA-N	-1	0	336.472	4.280	50	30	in-vitro	EIEARM
Cc1csc(C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C2CC2)n1	ZINC000084268011	564067638	/nfs/dbraw/zinc/06/76/38/564067638.db2.gz	VXCNXYRGSUGLOM-AWEZNQCLSA-N	-1	0	349.415	4.474	50	30		EIEARM
O=[N+]([O-])c1cc(C=Nc2ccc(Cl)cn2)c([O-])c2ccccc21	ZINC000252677851	564124889	/nfs/dbraw/zinc/12/48/89/564124889.db2.gz	AADMFEGMSUFSSY-UHFFFAOYSA-N	-1	0	327.727	4.253	50	30		EIEARM
O=C([O-])c1ccc(/C=C2\Oc3c(c(Cl)ccc3Cl)C2=O)cc1	ZINC000299738289	564150496	/nfs/dbraw/zinc/15/04/96/564150496.db2.gz	QZTDOZPYBYCDBL-GHXNOFRVSA-N	-1	0	335.142	4.308	50	30		EIEARM
Cc1ccc(Cl)cc1NC(=O)C(=O)C=C([O-])c1ccc(F)cc1	ZINC000101355469	204005154	/nfs/dbraw/zinc/00/51/54/204005154.db2.gz	UTMIAXADLSTQRD-SXGWCWSVSA-N	-1	0	333.746	4.051	50	30		EIEARM
CCOc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OC(C)C	ZINC000011905654	207019703	/nfs/dbraw/zinc/01/97/03/207019703.db2.gz	ZFZGTJXFBFFARK-UDWIEESQSA-N	-1	0	342.395	4.017	50	30		EIEARM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(O)cc2)cc1	ZINC000001098579	258048901	/nfs/dbraw/zinc/04/89/01/258048901.db2.gz	LBPVSXRXMOJLGJ-LPYMAVHISA-N	-1	0	347.370	4.420	50	30		EIEARM
C=CCOC(=O)N=c1[n-]nc(SCc2ccc(Cl)cc2)s1	ZINC000008716938	518975808	/nfs/dbraw/zinc/97/58/08/518975808.db2.gz	CQPKKBWSXLWGIF-UHFFFAOYSA-N	-1	0	341.845	4.218	50	30		EIEARM
N#CC(=C([O-])c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1	ZINC000048813485	526508305	/nfs/dbraw/zinc/50/83/05/526508305.db2.gz	QOHVLSORGIOKFS-CYBMUJFWSA-N	-1	0	344.399	4.176	50	30		EIEARM
CSc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000000028691	563211605	/nfs/dbraw/zinc/21/16/05/563211605.db2.gz	LTYYGQXXOUFRAH-GZTJUZNOSA-N	-1	0	326.450	4.212	50	30		EIEARM
Cc1ccccc1NC(=O)C([O-])=C(C#N)c1c(Cl)cccc1Cl	ZINC000006491519	563569576	/nfs/dbraw/zinc/56/95/76/563569576.db2.gz	WFFUTFJBQABSPG-NSHDSACASA-N	-1	0	347.201	4.117	50	30		EIEARM
Cc1cc2c(c(O)c1)C(=O)/C(=C/c1ccccc1Br)O2	ZINC000011865198	563995204	/nfs/dbraw/zinc/99/52/04/563995204.db2.gz	HIXMATBMIGWVIO-ZSOIEALJSA-N	-1	0	331.165	4.079	50	30		EIEARM
Cc1cc(CCCC(=O)[N-]S(=O)(=O)c2cccs2)c(C)s1	ZINC000084692190	564069660	/nfs/dbraw/zinc/06/96/60/564069660.db2.gz	KCQOSYRSNVXRFO-UHFFFAOYSA-N	-1	0	343.495	4.095	50	30		EIEARM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)cs1	ZINC000006934034	564101832	/nfs/dbraw/zinc/10/18/32/564101832.db2.gz	UPVGIYBCAJPJMY-MRXNPFEDSA-N	-1	0	347.374	4.311	50	30		EIEARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cc1	ZINC000000082802	564132781	/nfs/dbraw/zinc/13/27/81/564132781.db2.gz	HKAXZYRJOIVCEV-UHFFFAOYSA-N	-1	0	334.466	4.027	50	30		EIEARM
[O-]c1c(Cl)cc(Cl)c2ccc(NN=Cc3cccnc3)nc12	ZINC000003909714	564159685	/nfs/dbraw/zinc/15/96/85/564159685.db2.gz	LCRHPXZWVNKDPB-UFWORHAWSA-N	-1	0	333.178	4.088	50	30		EIEARM
Cc1ccc(-c2nc(SCc3ccccc3)[n-]c(=O)c2C#N)cc1	ZINC000004002490	564159951	/nfs/dbraw/zinc/15/99/51/564159951.db2.gz	ZHQZOOCDVUROGZ-UHFFFAOYSA-N	-1	0	333.416	4.322	50	30		EIEARM
COc1ccc(-c2csc(C(C#N)=C([O-])c3ccoc3C)n2)cc1	ZINC000066543695	564163383	/nfs/dbraw/zinc/16/33/83/564163383.db2.gz	SRLCIZIWVNPSRY-HNNXBMFYSA-N	-1	0	338.388	4.210	50	30		EIEARM
N#CC(=C([O-])c1cnc(-c2ccccc2Cl)s1)c1ccccn1	ZINC000051898269	1026445768	/nfs/dbraw/zinc/44/57/68/1026445768.db2.gz	LSTYYNHDKBQGTD-LBPRGKRZSA-N	-1	0	339.807	4.349	50	30		EIEARM
O=C([O-])C1C/C(=C/c2cccs2)C(=O)/C(=C\c2cccs2)C1	ZINC000606442511	1043067886	/nfs/dbraw/zinc/06/78/86/1043067886.db2.gz	PWFBHCSBSDIMBE-HWAYABPNSA-N	-1	0	330.430	4.340	50	30		EIEARM
CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(F)cc1	ZINC000028048737	202164241	/nfs/dbraw/zinc/16/42/41/202164241.db2.gz	VSMXRMKAJADNBS-UHFFFAOYSA-N	-1	0	341.342	4.022	50	30		EIEARM
CCOc1cc([N+](=O)[O-])cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-]	ZINC000036075260	202313169	/nfs/dbraw/zinc/31/31/69/202313169.db2.gz	JJVQIKRMINYHJW-RGVLZGJSSA-N	-1	0	344.411	4.087	50	30		EIEARM
Cc1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005016875	201633967	/nfs/dbraw/zinc/63/39/67/201633967.db2.gz	RVZKKSPTPFTSIG-LZYBPNLTSA-N	-1	0	335.157	4.122	50	30		EIEARM
C=CCn1c(SCc2occc2C(=O)[O-])nnc1C1CCCCC1	ZINC000013255567	211537861	/nfs/dbraw/zinc/53/78/61/211537861.db2.gz	NXMYHXPLMOILJM-UHFFFAOYSA-N	-1	0	347.440	4.095	50	30		EIEARM
C=CCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000012343654	211352168	/nfs/dbraw/zinc/35/21/68/211352168.db2.gz	UMADUVFNQHCZET-UXBLZVDNSA-N	-1	0	346.260	4.086	50	30		EIEARM
S=c1[n-]nc(-c2ccco2)n1N=Cc1cccc(Cl)c1Cl	ZINC000001296507	563382723	/nfs/dbraw/zinc/38/27/23/563382723.db2.gz	XFYVOYOPZLODBG-FRKPEAEDSA-N	-1	0	339.207	4.390	50	30		EIEARM
CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000004521813	563757971	/nfs/dbraw/zinc/75/79/71/563757971.db2.gz	MYHXHCUNDDAEOZ-FOSBLDSVSA-N	-1	0	334.456	4.056	50	30	biogenic,in-man	EIEARM
COc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Cl	ZINC000000061804	563971420	/nfs/dbraw/zinc/97/14/20/563971420.db2.gz	KNWWFTXMHWVFBP-REZTVBANSA-N	-1	0	341.150	4.366	50	30		EIEARM
Cc1nc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)co2)cs1	ZINC000408512828	563992696	/nfs/dbraw/zinc/99/26/96/563992696.db2.gz	FCISXRNTIARTDP-LBPRGKRZSA-N	-1	0	348.387	4.078	50	30		EIEARM
CC(C)c1ccc(-c2nc(N3CCC(C)CC3)[n-]c(=O)c2C#N)cc1	ZINC000005151821	563994746	/nfs/dbraw/zinc/99/47/46/563994746.db2.gz	NZQTVUCKTPYXIN-UHFFFAOYSA-N	-1	0	336.439	4.081	50	30		EIEARM
Cc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1	ZINC000102920799	564020925	/nfs/dbraw/zinc/02/09/25/564020925.db2.gz	ZWUIXYWYOXPDMQ-FMIVXFBMSA-N	-1	0	339.338	4.367	50	30		EIEARM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(C(F)(F)F)c1	ZINC000082076663	564056094	/nfs/dbraw/zinc/05/60/94/564056094.db2.gz	YVSAHAVBLJNSDB-OAHLLOKOSA-N	-1	0	346.308	4.185	50	30		EIEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(C)c2)cc1	ZINC000005906652	564056894	/nfs/dbraw/zinc/05/68/94/564056894.db2.gz	KDMUEIIKTVZJJU-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc2cc(Cl)ccc2s1	ZINC000170617273	564110167	/nfs/dbraw/zinc/11/01/67/564110167.db2.gz	RHLBJLSEIIEXKC-SNVBAGLBSA-N	-1	0	343.795	4.305	50	30		EIEARM
Cc1sc(NC(=O)CCCC(=O)[O-])c(C#N)c1-c1ccc(C)cc1	ZINC000017071530	564116366	/nfs/dbraw/zinc/11/63/66/564116366.db2.gz	NLSXENVSJIJYNT-UHFFFAOYSA-N	-1	0	342.420	4.097	50	30		EIEARM
CC[C@H](Sc1nc2ccccc2s1)C(=O)ON=c1cc(C)o[nH]1	ZINC000000860003	564130161	/nfs/dbraw/zinc/13/01/61/564130161.db2.gz	KSKPLUDIVIIFPF-NSHDSACASA-N	-1	0	349.437	4.034	50	30		EIEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccc(F)cc1)CSc1ccccc1-2	ZINC000000159724	564132926	/nfs/dbraw/zinc/13/29/26/564132926.db2.gz	BJVKUBOMYHLBHT-UHFFFAOYSA-N	-1	0	334.375	4.325	50	30		EIEARM
N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1	ZINC000010512298	564176321	/nfs/dbraw/zinc/17/63/21/564176321.db2.gz	UMZPUBSBXHPZCM-UHFFFAOYSA-N	-1	0	340.429	4.088	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1	ZINC000229329363	201041344	/nfs/dbraw/zinc/04/13/44/201041344.db2.gz	WNJJXXJIXNFSPQ-QJPTWQEYSA-N	-1	0	343.370	4.317	50	30		EIEARM
O=C([O-])c1ccccc1/C(=N/O)c1ccc2c(c1)Cc1ccccc1-2	ZINC000004456776	201601486	/nfs/dbraw/zinc/60/14/86/201601486.db2.gz	GKOGMTKQUFEPMJ-LSDHQDQOSA-N	-1	0	329.355	4.183	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2ncoc2-c2ccccc2Cl)n1	ZINC000076089960	203337312	/nfs/dbraw/zinc/33/73/12/203337312.db2.gz	JMQCGMQKZGMUAQ-LLVKDONJSA-N	-1	0	343.795	4.250	50	30		EIEARM
C[C@@H](Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1)C(=O)[O-]	ZINC000021334284	525920946	/nfs/dbraw/zinc/92/09/46/525920946.db2.gz	WFGGHMOHEBASTO-SBKJXLNCSA-N	-1	0	330.767	4.088	50	30		EIEARM
O=C([O-])c1ccc(COc2ccccc2C=NNc2ccccc2)cc1	ZINC000004739419	526369176	/nfs/dbraw/zinc/36/91/76/526369176.db2.gz	HDDBNRHFDIQVCW-HYARGMPZSA-N	-1	0	346.386	4.410	50	30		EIEARM
CCc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1	ZINC000001249156	563381190	/nfs/dbraw/zinc/38/11/90/563381190.db2.gz	FUWLRIJIALURDR-XDHOZWIPSA-N	-1	0	338.436	4.061	50	30		EIEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc1	ZINC000001253766	563381689	/nfs/dbraw/zinc/38/16/89/563381689.db2.gz	ARSNTVPNZSVQCJ-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
S=c1[n-]nc(-c2ccco2)n1N=Cc1ccc(Cl)cc1Cl	ZINC000001297055	563382695	/nfs/dbraw/zinc/38/26/95/563382695.db2.gz	DBSYGLWXNBYGDV-FRKPEAEDSA-N	-1	0	339.207	4.390	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Cc1ccccc1C(F)(F)F	ZINC000005677528	563545144	/nfs/dbraw/zinc/54/51/44/563545144.db2.gz	JYNFTWJXPCZBAD-SSDVNMTOSA-N	-1	0	345.324	4.243	50	30		EIEARM
C=CCn1c(=O)c2c([n-]c1=S)sc(C)c2-c1ccc(OC)cc1	ZINC000000079649	563974592	/nfs/dbraw/zinc/97/45/92/563974592.db2.gz	OZPCVXSAFKVDKA-UHFFFAOYSA-N	-1	0	344.461	4.291	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000095498618	563977032	/nfs/dbraw/zinc/97/70/32/563977032.db2.gz	RLBRVMQLJCJROW-QOCHGBHMSA-N	-1	0	328.375	4.030	50	30		EIEARM
Cc1ccc2cc(C=NNc3ccc(C(=O)[O-])cc3)c(Cl)nc2c1	ZINC000005562837	564005632	/nfs/dbraw/zinc/00/56/32/564005632.db2.gz	XJPNIWDXMLPHAE-KEBDBYFISA-N	-1	0	339.782	4.341	50	30		EIEARM
N#CC(=C([O-])c1cscn1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000103330484	564022120	/nfs/dbraw/zinc/02/21/20/564022120.db2.gz	OFQAORBHHZSJCS-NSHDSACASA-N	-1	0	345.836	4.410	50	30		EIEARM
O=C([O-])c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1	ZINC000001710178	564082894	/nfs/dbraw/zinc/08/28/94/564082894.db2.gz	UDYNXPSETJWNEU-LPYMAVHISA-N	-1	0	326.355	4.237	50	30	in-vitro	EIEARM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1	ZINC000005906390	564093349	/nfs/dbraw/zinc/09/33/49/564093349.db2.gz	SWCXFMPIDNXEOQ-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
O=C([O-])c1ccccc1C=NNc1ccnc2cc(Cl)ccc21	ZINC000252621474	564122875	/nfs/dbraw/zinc/12/28/75/564122875.db2.gz	MZFFVYOLPOYTSO-UHFFFAOYSA-N	-1	0	325.755	4.032	50	30		EIEARM
CCCCCCCCCn1c2ccccc2c2[n-][nH]c(=O)c2c1=O	ZINC000002274749	564125596	/nfs/dbraw/zinc/12/55/96/564125596.db2.gz	YKGGLMVWNGIIQS-UHFFFAOYSA-N	-1	0	327.428	4.334	50	30		EIEARM
CCCCCCCCn1c2ccccc2c([O-])c(C(=O)OCC)c1=O	ZINC000002275088	564125614	/nfs/dbraw/zinc/12/56/14/564125614.db2.gz	MZCFJFYZKVHMAH-UHFFFAOYSA-N	-1	0	345.439	4.244	50	30		EIEARM
N#CC(=C([O-])c1csc(-c2ccccc2Cl)n1)c1ccccn1	ZINC000067601501	564166156	/nfs/dbraw/zinc/16/61/56/564166156.db2.gz	WJQKWCTXWHWMFA-GFCCVEGCSA-N	-1	0	339.807	4.349	50	30		EIEARM
Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000098006966	1040878005	/nfs/dbraw/zinc/87/80/05/1040878005.db2.gz	DDGVDIBDEDWDBT-YFHOEESVSA-N	-1	0	329.421	4.343	50	30		EIEARM
C=CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(CC)[n-]n2c1=O	ZINC000101328604	219122351	/nfs/dbraw/zinc/12/23/51/219122351.db2.gz	APQDDJOMWLWOSH-UHFFFAOYSA-N	-1	0	327.815	4.355	50	30		EIEARM
CCOc1cccc2cc(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)oc21	ZINC000007716145	201726055	/nfs/dbraw/zinc/72/60/55/201726055.db2.gz	USMZLHBQXJPZMX-DHZHZOJOSA-N	-1	0	336.343	4.426	50	30		EIEARM
Cc1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cs1	ZINC000067799056	202935563	/nfs/dbraw/zinc/93/55/63/202935563.db2.gz	IXAXYGBGWLRVJO-VIFPVBQESA-N	-1	0	333.825	4.205	50	30		EIEARM
N#CC(=C([O-])c1coc(C2CCCCC2)n1)c1cnc2ccccc2n1	ZINC000330031603	258002931	/nfs/dbraw/zinc/00/29/31/258002931.db2.gz	AVFGUAZFRGQBPM-CQSZACIVSA-N	-1	0	346.390	4.156	50	30		EIEARM
N#CC(=C([O-])c1cnc(-c2ccccc2)s1)c1nc2ccccc2[nH]1	ZINC000048813486	526494405	/nfs/dbraw/zinc/49/44/05/526494405.db2.gz	QOHVLSORGIOKFS-ZDUSSCGKSA-N	-1	0	344.399	4.176	50	30		EIEARM
O=C(c1ccccc1)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000000357639	563291561	/nfs/dbraw/zinc/29/15/61/563291561.db2.gz	KERUSDMZSDYKOL-FYJGNVAPSA-N	-1	0	346.342	4.282	50	30		EIEARM
CC(C)(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000001261502	563382048	/nfs/dbraw/zinc/38/20/48/563382048.db2.gz	QXVCRFUZOALINP-WOJGMQOQSA-N	-1	0	326.425	4.380	50	30		EIEARM
COc1ccc(C(=NNc2cccc(C(=O)[O-])c2)c2ccccc2)cc1	ZINC000004646497	563506527	/nfs/dbraw/zinc/50/65/27/563506527.db2.gz	WKSZSBDANBNQKW-ATJXCDBQSA-N	-1	0	346.386	4.258	50	30		EIEARM
O=C([O-])c1ccc(/N=C/c2c3c(ccc2O)oc2c3CCCC2)cc1	ZINC000013638593	563705967	/nfs/dbraw/zinc/70/59/67/563705967.db2.gz	LRXFKEUZIPSQTJ-SRZZPIQSSA-N	-1	0	335.359	4.466	50	30		EIEARM
CCc1c(C)nc(S[C@H](C(=O)[O-])c2ccccc2)c(C#N)c1C	ZINC000004973875	563993512	/nfs/dbraw/zinc/99/35/12/563993512.db2.gz	AQQRHQRTRXHWHV-INIZCTEOSA-N	-1	0	326.421	4.051	50	30		EIEARM
Cc1nscc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1	ZINC000180440403	564013363	/nfs/dbraw/zinc/01/33/63/564013363.db2.gz	BAGQPYZOSBKPTR-VIFPVBQESA-N	-1	0	333.825	4.205	50	30		EIEARM
N#CC(=C([O-])c1cscn1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000103330485	564022123	/nfs/dbraw/zinc/02/21/23/564022123.db2.gz	OFQAORBHHZSJCS-LLVKDONJSA-N	-1	0	345.836	4.410	50	30		EIEARM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CC1	ZINC000048426430	564031757	/nfs/dbraw/zinc/03/17/57/564031757.db2.gz	UJFNOQWDNHCTGY-UHFFFAOYSA-N	-1	0	349.839	4.025	50	30		EIEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1Cl	ZINC000005998102	564112975	/nfs/dbraw/zinc/11/29/75/564112975.db2.gz	CYNHPQUVAFQUOZ-GIJQJNRQSA-N	-1	0	332.791	4.282	50	30		EIEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccccc1Cl)CCc1ccccc1-2	ZINC000000159927	564132903	/nfs/dbraw/zinc/13/29/03/564132903.db2.gz	QNPJWVVGNDUOGF-UHFFFAOYSA-N	-1	0	332.790	4.333	50	30		EIEARM
COc1ccccc1[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1	ZINC000328590521	564136709	/nfs/dbraw/zinc/13/67/09/564136709.db2.gz	RXFWDWXZCXPGGJ-ZDUSSCGKSA-N	-1	0	342.292	4.037	50	30		EIEARM
[O-]c1c(Cl)cc(Cl)c2ccc(NN=Cc3ccccn3)nc12	ZINC000003909656	564159683	/nfs/dbraw/zinc/15/96/83/564159683.db2.gz	BOSSZLBOVKJZAQ-UFWORHAWSA-N	-1	0	333.178	4.088	50	30		EIEARM
N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1SCC(=O)[O-]	ZINC000000240286	1020141283	/nfs/dbraw/zinc/14/12/83/1020141283.db2.gz	LFZVEAGPYVUJOO-UHFFFAOYSA-N	-1	0	344.823	4.328	50	30		EIEARM
O=C([O-])c1cc(N=NC=CCc2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000888083232	1027889229	/nfs/dbraw/zinc/88/92/29/1027889229.db2.gz	BDEJUAPCICSZHR-MQPHYCMUSA-N	-1	0	345.742	4.058	50	30		EIEARM
Cc1ccc(C)c(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)c1	ZINC000005689487	1053444043	/nfs/dbraw/zinc/44/40/43/1053444043.db2.gz	CEBAYKKWVFHHQV-ATVHPVEESA-N	-1	0	331.371	4.046	50	30		EIEARM
C[P@](=O)([O-])[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000004119561	201590432	/nfs/dbraw/zinc/59/04/32/201590432.db2.gz	RWLFWCSRVOCWFZ-QMMMGPOBSA-N	-1	0	338.159	4.461	50	30		EIEARM
CCOc1ccc(-c2cc(-c3ccc(F)cc3)[n-]c(=O)c2C#N)cc1	ZINC000005927303	201667040	/nfs/dbraw/zinc/66/70/40/201667040.db2.gz	MUFWMJXCGHTOFV-UHFFFAOYSA-N	-1	0	334.350	4.118	50	30		EIEARM
Cc1ccccc1N=CC(C(=O)C(F)(F)F)=C([O-])c1cccs1	ZINC000100560900	206248355	/nfs/dbraw/zinc/24/83/55/206248355.db2.gz	YTYWXNGNEQDQOX-LUAWRHEFSA-N	-1	0	339.338	4.367	50	30		EIEARM
C=CCC(CC=C)(NC(=O)c1ccccc1C(=O)[O-])c1ccccc1	ZINC000000038690	208554913	/nfs/dbraw/zinc/55/49/13/208554913.db2.gz	OAWYRWUNWRRPGA-UHFFFAOYSA-N	-1	0	335.403	4.162	50	30		EIEARM
CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000004096507	520315703	/nfs/dbraw/zinc/31/57/03/520315703.db2.gz	BGKHCLZFGPIKKU-LDDQNKHRSA-N	-1	0	336.472	4.280	50	30	endogenous,in-man	EIEARM
O=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000004178095	563496763	/nfs/dbraw/zinc/49/67/63/563496763.db2.gz	JOBBKXSYXMCNSV-FRKPEAEDSA-N	-1	0	326.139	4.053	50	30		EIEARM
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c1	ZINC000004954121	563516344	/nfs/dbraw/zinc/51/63/44/563516344.db2.gz	URUNSVQRBWVLMH-UHFFFAOYSA-N	-1	0	344.322	4.107	50	30		EIEARM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1C	ZINC000006556819	563571749	/nfs/dbraw/zinc/57/17/49/563571749.db2.gz	GXWPMFCMCAZSNO-YBFXNURJSA-N	-1	0	338.436	4.115	50	30		EIEARM
C=CC[C@H]1c2cccc(C(=O)[O-])c2C(=O)N1c1ccc(Cl)cc1	ZINC000000209280	563988466	/nfs/dbraw/zinc/98/84/66/563988466.db2.gz	NVYPJEQSYTXDEQ-HNNXBMFYSA-N	-1	0	327.767	4.316	50	30		EIEARM
Cc1ccccc1N=CC(C(=O)C(F)(F)F)=C([O-])c1cccs1	ZINC000102919850	564020923	/nfs/dbraw/zinc/02/09/23/564020923.db2.gz	YTYWXNGNEQDQOX-PKNBQFBNSA-N	-1	0	339.338	4.367	50	30		EIEARM
CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000000548112	564022741	/nfs/dbraw/zinc/02/27/41/564022741.db2.gz	RMFBDGDNDXDJJH-QGZVFWFLSA-N	-1	0	341.794	4.137	50	30		EIEARM
CCc1nc(C(C#N)=C([O-])c2csc3c2CCCC3)sc1C	ZINC000089282616	564088872	/nfs/dbraw/zinc/08/88/72/564088872.db2.gz	OKEQXVABITYUHI-GFCCVEGCSA-N	-1	0	330.478	4.444	50	30		EIEARM
CC(C=Nn1c(=S)[n-]nc1-c1ccccc1F)=Cc1ccco1	ZINC000005665540	564093279	/nfs/dbraw/zinc/09/32/79/564093279.db2.gz	OPEMMZTXERAWRX-SLCIPMMZSA-N	-1	0	328.372	4.277	50	30		EIEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000005911684	564093371	/nfs/dbraw/zinc/09/33/71/564093371.db2.gz	ZCJNEOPIMSXRIW-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C(C)C)n1	ZINC000390834441	564138934	/nfs/dbraw/zinc/13/89/34/564138934.db2.gz	YWMSQHZPDQGQJW-GFCCVEGCSA-N	-1	0	336.420	4.008	50	30		EIEARM
COc1ccc(-c2csc(C(C#N)=C([O-])c3ccoc3C)n2)cc1	ZINC000066543693	564163359	/nfs/dbraw/zinc/16/33/59/564163359.db2.gz	SRLCIZIWVNPSRY-OAHLLOKOSA-N	-1	0	338.388	4.210	50	30		EIEARM
O=C([O-])C(=O)/C(=C\c1cccc(Cl)c1)c1ccc2ccccc2n1	ZINC000005656078	1053317518	/nfs/dbraw/zinc/31/75/18/1053317518.db2.gz	DWKGOIIGYLCWPS-PTNGSMBKSA-N	-1	0	337.762	4.083	50	30		EIEARM
C(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc2ccccc2c1	ZINC000004587362	210227712	/nfs/dbraw/zinc/22/77/12/210227712.db2.gz	LMFPQJWNELJWOC-CIAFOILYSA-N	-1	0	338.374	4.105	50	30		EIEARM
Cc1ccc(OC(F)F)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000008321661	201744781	/nfs/dbraw/zinc/74/47/81/201744781.db2.gz	XCGAFMSSNJMQPN-VMPITWQZSA-N	-1	0	332.302	4.191	50	30		EIEARM
O=C([O-])C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc2ccccc2n1	ZINC000012603533	201858392	/nfs/dbraw/zinc/85/83/92/201858392.db2.gz	KBKAOLPWNGAQBG-PTNGSMBKSA-N	-1	0	337.762	4.083	50	30		EIEARM
CNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(Cl)cc1	ZINC000028048806	202164435	/nfs/dbraw/zinc/16/44/35/202164435.db2.gz	QHQLWBZDDPZXNL-UHFFFAOYSA-N	-1	0	343.770	4.146	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cccc1Cl	ZINC000101468876	204007718	/nfs/dbraw/zinc/00/77/18/204007718.db2.gz	OZHOXVAWDSBAJU-XMHGGMMESA-N	-1	0	347.205	4.184	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc2ccccc21	ZINC000012413042	563660348	/nfs/dbraw/zinc/66/03/48/563660348.db2.gz	UJTJPEDJWDNDPC-QOCHGBHMSA-N	-1	0	328.375	4.030	50	30		EIEARM
Cc1ccc(-c2c(C#N)c(=S)[n-]c3c4ccccc4nnc32)cc1	ZINC000004643068	563957250	/nfs/dbraw/zinc/95/72/50/563957250.db2.gz	HCQSARUAEIPWPU-UHFFFAOYSA-N	-1	0	328.400	4.314	50	30		EIEARM
Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000061069106	563992585	/nfs/dbraw/zinc/99/25/85/563992585.db2.gz	PXGJCMDJVCGXCN-LLVKDONJSA-N	-1	0	339.420	4.380	50	30		EIEARM
C=CCn1c(=O)c2c([n-]c1=S)sc1c2CCc2ccccc2-1	ZINC000006492916	564070745	/nfs/dbraw/zinc/07/07/45/564070745.db2.gz	IJMQQFJWUWUEQI-UHFFFAOYSA-N	-1	0	326.446	4.072	50	30		EIEARM
Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)O2	ZINC000299738224	564150482	/nfs/dbraw/zinc/15/04/82/564150482.db2.gz	KRTQXXVRQNCQLB-AUWJEWJLSA-N	-1	0	345.738	4.187	50	30		EIEARM
Cc1ccc(C(=O)Nc2c([O-])c(C#N)n3c4ccccc4sc23)cc1	ZINC000041154916	564173546	/nfs/dbraw/zinc/17/35/46/564173546.db2.gz	FQBUUWFMPKWETE-UHFFFAOYSA-N	-1	0	347.399	4.292	50	30		EIEARM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)nc2)n1	ZINC000098053215	1041102391	/nfs/dbraw/zinc/10/23/91/1041102391.db2.gz	UPLSLOVZOQRNLB-FHMRSRPSSA-N	-1	0	331.828	4.205	50	30		EIEARM
CCCCCCCn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S	ZINC000002323729	1042809817	/nfs/dbraw/zinc/80/98/17/1042809817.db2.gz	YPRKJJGMJASPPG-UHFFFAOYSA-N	-1	0	336.457	4.047	50	30		EIEARM
CCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1	ZINC000004521814	201057225	/nfs/dbraw/zinc/05/72/25/201057225.db2.gz	PRFXRIUZNKLRHM-HKVRTXJWSA-N	-1	0	334.456	4.345	50	30	in-vivo	EIEARM
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)[O-]	ZINC000000206004	201447729	/nfs/dbraw/zinc/44/77/29/201447729.db2.gz	GUHKKPYASPMLOV-UHFFFAOYSA-N	-1	0	346.411	4.464	50	30		EIEARM
Cn1c(C(=O)C(C#N)=C([O-])c2cccc(Cl)c2)cc2ccccc21	ZINC000103590563	204083116	/nfs/dbraw/zinc/08/31/16/204083116.db2.gz	JMRFZXJTLPUIGX-HNNXBMFYSA-N	-1	0	336.778	4.037	50	30		EIEARM
CC(C)COC(=O)N=c1[n-]nc(SCc2ccccc2F)s1	ZINC000000618386	519750202	/nfs/dbraw/zinc/75/02/02/519750202.db2.gz	QBUWVNAUILMAIM-UHFFFAOYSA-N	-1	0	341.433	4.188	50	30		EIEARM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000005892780	520323992	/nfs/dbraw/zinc/32/39/92/520323992.db2.gz	JYDLISZRFYDOLC-CPNJWEJPSA-N	-1	0	338.436	4.279	50	30		EIEARM
Cc1cc2c(c(O)c1)C(=O)/C(=C/c1cccc(Br)c1)O2	ZINC000011865199	563995198	/nfs/dbraw/zinc/99/51/98/563995198.db2.gz	HVWCPKCRSDLMMU-ZSOIEALJSA-N	-1	0	331.165	4.079	50	30	biogenic	EIEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)cc1	ZINC000001242821	563381007	/nfs/dbraw/zinc/38/10/07/563381007.db2.gz	ZXQOLFHVRYTGKC-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
Cc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1C	ZINC000002101201	563422441	/nfs/dbraw/zinc/42/24/41/563422441.db2.gz	QWKLYUJFICQLLG-SECBINFHSA-N	-1	0	345.258	4.314	50	30		EIEARM
CSC(=NC(C)(C)C)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000004382575	563501743	/nfs/dbraw/zinc/50/17/43/563501743.db2.gz	LXZDTBRPSYAANG-FRKPEAEDSA-N	-1	0	334.272	4.140	50	30		EIEARM
CCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000005906383	563553424	/nfs/dbraw/zinc/55/34/24/563553424.db2.gz	YHYDTWDUSXRFQC-LDADJPATSA-N	-1	0	330.457	4.269	50	30		EIEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)c1	ZINC000005911402	563553972	/nfs/dbraw/zinc/55/39/72/563553972.db2.gz	QDCWVJBKGBWMLX-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
O=C([O-])c1ccccc1C=NNc1ccnc2cc(Cl)ccc21	ZINC000012562096	563663101	/nfs/dbraw/zinc/66/31/01/563663101.db2.gz	MZFFVYOLPOYTSO-KEBDBYFISA-N	-1	0	325.755	4.032	50	30		EIEARM
N#CC(=C([O-])c1nc(-c2ccccc2)oc1C1CC1)c1ccccn1	ZINC000121243652	563994014	/nfs/dbraw/zinc/99/40/14/563994014.db2.gz	FJTTYYXUIMMTFP-OAHLLOKOSA-N	-1	0	329.359	4.104	50	30		EIEARM
N#CC(=C([O-])c1nc(-c2ccccc2)oc1C1CC1)c1ccccn1	ZINC000121243492	563994031	/nfs/dbraw/zinc/99/40/31/563994031.db2.gz	FJTTYYXUIMMTFP-HNNXBMFYSA-N	-1	0	329.359	4.104	50	30		EIEARM
C[C@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/O	ZINC000100620567	563994295	/nfs/dbraw/zinc/99/42/95/563994295.db2.gz	RWNPHXLIAIBUGH-GRXMPZQUSA-N	-1	0	334.419	4.297	50	30		EIEARM
CCc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1	ZINC000177946771	564014928	/nfs/dbraw/zinc/01/49/28/564014928.db2.gz	HXJXIVOSFGAKMO-GFCCVEGCSA-N	-1	0	343.333	4.385	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2cccc(C(F)(F)F)c2)s1	ZINC000102763738	564020513	/nfs/dbraw/zinc/02/05/13/564020513.db2.gz	NQZWDGCDHJJECM-GFCCVEGCSA-N	-1	0	337.322	4.281	50	30		EIEARM
Cc1nc([N-]c2nc3ccccc3o2)nc(-c2ccccc2)c1C#N	ZINC000001264617	564062787	/nfs/dbraw/zinc/06/27/87/564062787.db2.gz	XWOXWSUQMOGLCB-UHFFFAOYSA-N	-1	0	327.347	4.209	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C2CC2)n1	ZINC000084268013	564067609	/nfs/dbraw/zinc/06/76/09/564067609.db2.gz	VXCNXYRGSUGLOM-CQSZACIVSA-N	-1	0	349.415	4.474	50	30		EIEARM
CC(C)(C)n1cnc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc21	ZINC000001501220	564074629	/nfs/dbraw/zinc/07/46/29/564074629.db2.gz	KLJBCXDKKRVSGA-VXLYETTFSA-N	-1	0	338.367	4.156	50	30		EIEARM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1	ZINC000005968170	564112446	/nfs/dbraw/zinc/11/24/46/564112446.db2.gz	KPONNSOFNJSYDD-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)O2	ZINC000299738200	564150495	/nfs/dbraw/zinc/15/04/95/564150495.db2.gz	IXXHFIABSQIWSS-ZSOIEALJSA-N	-1	0	328.751	4.271	50	30		EIEARM
N#CC(=C([O-])c1cnc(-c2ccccc2Cl)s1)c1ccccn1	ZINC000051898270	1026445929	/nfs/dbraw/zinc/44/59/29/1026445929.db2.gz	LSTYYNHDKBQGTD-GFCCVEGCSA-N	-1	0	339.807	4.349	50	30		EIEARM
O=C([O-])C1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1	ZINC000606442514	1043066455	/nfs/dbraw/zinc/06/64/55/1043066455.db2.gz	PWFBHCSBSDIMBE-WGDLNXRISA-N	-1	0	330.430	4.340	50	30		EIEARM
O=C(C(N=Nc1ccccc1)=C([O-])c1ccccc1)c1ccccc1	ZINC000101039806	219114284	/nfs/dbraw/zinc/11/42/84/219114284.db2.gz	VDXHWPFTLGPVEY-UHFFFAOYSA-N	-1	0	328.371	4.220	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000101475426	219127936	/nfs/dbraw/zinc/12/79/36/219127936.db2.gz	RLBRVMQLJCJROW-ZBJSNUHESA-N	-1	0	328.375	4.030	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1	ZINC000066545368	215052520	/nfs/dbraw/zinc/05/25/20/215052520.db2.gz	SUYRYTNETWTOIW-AWEZNQCLSA-N	-1	0	333.372	4.073	50	30		EIEARM
CSc1ccc(C)c(C(=O)C(C#N)=C([O-])c2ccc(C)s2)c1	ZINC000102763750	219229180	/nfs/dbraw/zinc/22/91/80/219229180.db2.gz	YLGVFRJQLKQFRB-AWEZNQCLSA-N	-1	0	329.446	4.292	50	30		EIEARM
C=CCn1c(=O)c2c([n-]c1=S)sc(C)c2-c1ccc(F)cc1	ZINC000003308315	210003210	/nfs/dbraw/zinc/00/32/10/210003210.db2.gz	AZDHSNJREIEDDP-UHFFFAOYSA-N	-1	0	332.425	4.421	50	30		EIEARM
C=CCN(CC=C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc21	ZINC000019792787	212067624	/nfs/dbraw/zinc/06/76/24/212067624.db2.gz	MFDKWLHHASVLSA-UHFFFAOYSA-N	-1	0	347.414	4.340	50	30	biogenic	EIEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2)cc1	ZINC000006199516	563561051	/nfs/dbraw/zinc/56/10/51/563561051.db2.gz	QIURXHBKDGDHIH-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
N#CC(C(=O)c1c[nH]c2cc(Cl)ccc21)=C([O-])c1cccc(F)c1	ZINC000101253448	564019329	/nfs/dbraw/zinc/01/93/29/564019329.db2.gz	IDERZKNDOHCFNZ-CQSZACIVSA-N	-1	0	340.741	4.166	50	30		EIEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C)cc1	ZINC000005906658	564033038	/nfs/dbraw/zinc/03/30/38/564033038.db2.gz	AUZKITZXLJETHZ-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2F)c1	ZINC000005906935	564093342	/nfs/dbraw/zinc/09/33/42/564093342.db2.gz	BQURNSDGIRFGJM-YBFXNURJSA-N	-1	0	342.399	4.028	50	30		EIEARM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)cs1	ZINC000006934046	564101821	/nfs/dbraw/zinc/10/18/21/564101821.db2.gz	UPVGIYBCAJPJMY-INIZCTEOSA-N	-1	0	347.374	4.311	50	30		EIEARM
N#Cc1c2c(sc1NC(=O)c1noc3c1CCCCC3)CCCC2	ZINC000000426585	564133205	/nfs/dbraw/zinc/13/32/05/564133205.db2.gz	VEJLTBBXUVIHEE-UHFFFAOYSA-N	-1	0	341.436	4.008	50	30		EIEARM
Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)o1	ZINC000095444281	564140530	/nfs/dbraw/zinc/14/05/30/564140530.db2.gz	JZBAYYMBKNUUDL-UHFFFAOYSA-N	-1	0	349.452	4.082	50	30		EIEARM
N#Cc1c2c(sc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCC2	ZINC000004739515	210265406	/nfs/dbraw/zinc/26/54/06/210265406.db2.gz	KSBKPAMFKQRYEQ-CNHKJKLMSA-N	-1	0	347.783	4.126	50	30		EIEARM
CCCc1ccc(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000004676581	210244330	/nfs/dbraw/zinc/24/43/30/210244330.db2.gz	AFZHIIVDJMBDOM-GIJQJNRQSA-N	-1	0	334.759	4.363	50	30		EIEARM
N#CC(=C([O-])c1ccc(F)c(C(F)(F)F)c1)c1nc2ccccc2o1	ZINC000067799245	215214934	/nfs/dbraw/zinc/21/49/34/215214934.db2.gz	PKWMDHVWDJAVEX-JTQLQIEISA-N	-1	0	348.255	4.476	50	30		EIEARM
Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000069632503	215512536	/nfs/dbraw/zinc/51/25/36/215512536.db2.gz	PXGJCMDJVCGXCN-NSHDSACASA-N	-1	0	339.420	4.380	50	30		EIEARM
Cc1cc(N=NCc2ccccc2Cl)nc(-c2ccccc2[O-])n1	ZINC000004957730	525043154	/nfs/dbraw/zinc/04/31/54/525043154.db2.gz	VYUJWIRZESYEJA-RGVLZGJSSA-N	-1	0	338.798	4.257	50	30		EIEARM
Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1C	ZINC000002101203	563422682	/nfs/dbraw/zinc/42/26/82/563422682.db2.gz	QWKLYUJFICQLLG-VIFPVBQESA-N	-1	0	345.258	4.314	50	30		EIEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Br	ZINC000002821003	563452963	/nfs/dbraw/zinc/45/29/63/563452963.db2.gz	QLLSTRGVYWNNIZ-LZYBPNLTSA-N	-1	0	335.157	4.122	50	30		EIEARM
CCCCC[C@@H](O)/C=C/C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1	ZINC000005273623	564002282	/nfs/dbraw/zinc/00/22/82/564002282.db2.gz	PRFXRIUZNKLRHM-RYPCXPIFSA-N	-1	0	334.456	4.345	50	30	endogenous,in-man	EIEARM
C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])SC1=S	ZINC000013943450	564074057	/nfs/dbraw/zinc/07/40/57/564074057.db2.gz	WYTHGJWEHGQBLR-BJMVGYQFSA-N	-1	0	346.260	4.086	50	30		EIEARM
CCCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000054736607	214252677	/nfs/dbraw/zinc/25/26/77/214252677.db2.gz	JRDGLWSXOTWHFR-LLVKDONJSA-N	-1	0	325.393	4.035	50	30		EIEARM
CN(/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1[N+](=O)[O-]	ZINC000004323693	210170902	/nfs/dbraw/zinc/17/09/02/210170902.db2.gz	CDSVEQPNYSDJKM-CAOOACKPSA-N	-1	0	340.166	4.078	50	30		EIEARM
CCOc1ccc2ccccc2c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000004137349	210128880	/nfs/dbraw/zinc/12/88/80/210128880.db2.gz	OEKAIFKDVLQKKZ-FYJGNVAPSA-N	-1	0	334.375	4.383	50	30		EIEARM
S=c1[n-]nc(-c2ccco2)n1N=Cc1c(Cl)cccc1Cl	ZINC000001245433	209720122	/nfs/dbraw/zinc/72/01/22/209720122.db2.gz	CUKPMPLHZPXTQA-FRKPEAEDSA-N	-1	0	339.207	4.390	50	30		EIEARM
COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1OC	ZINC000000058394	209394392	/nfs/dbraw/zinc/39/43/92/209394392.db2.gz	ZGVXXALFJHOOBW-QGMBQPNBSA-N	-1	0	326.179	4.467	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000012403893	211369590	/nfs/dbraw/zinc/36/95/90/211369590.db2.gz	MSALRSHEIXPDNU-HKWRFOASSA-N	-1	0	347.205	4.184	50	30		EIEARM
COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1[O-]	ZINC000004865579	210305380	/nfs/dbraw/zinc/30/53/80/210305380.db2.gz	QLPUCCUQFOVDMA-SOFGYWHQSA-N	-1	0	333.181	4.059	50	30		EIEARM
Cc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c([O-])c1	ZINC000004772739	210275373	/nfs/dbraw/zinc/27/53/73/210275373.db2.gz	TVHJNPLUVOGNAC-HWKANZROSA-N	-1	0	330.767	4.117	50	30		EIEARM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000001240571	563381068	/nfs/dbraw/zinc/38/10/68/563381068.db2.gz	WDUWGGFQTQDKIU-LDADJPATSA-N	-1	0	330.457	4.269	50	30		EIEARM
S=c1[n-]nc(-c2ccco2)n1N=Cc1ccc(Cl)c(Cl)c1	ZINC000001299796	563382657	/nfs/dbraw/zinc/38/26/57/563382657.db2.gz	QTLDBJFEKWAEGM-FRKPEAEDSA-N	-1	0	339.207	4.390	50	30		EIEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc(Cl)c1	ZINC000006056311	563558370	/nfs/dbraw/zinc/55/83/70/563558370.db2.gz	TZAFWSDVPZSUNX-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
Cc1occc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000058185908	563939320	/nfs/dbraw/zinc/93/93/20/563939320.db2.gz	LZFDIAYLRJAGKF-HNNXBMFYSA-N	-1	0	333.372	4.073	50	30		EIEARM
CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1	ZINC000000179436	563987795	/nfs/dbraw/zinc/98/77/95/563987795.db2.gz	YWFUBBCQXNCLBB-LZYBPNLTSA-N	-1	0	345.405	4.383	50	30		EIEARM
Cc1cccc2cc(C=NNc3ccc(C(=O)[O-])cc3)c(Cl)nc12	ZINC000005529715	564005081	/nfs/dbraw/zinc/00/50/81/564005081.db2.gz	ZRNLJRYTSIRDMV-KEBDBYFISA-N	-1	0	339.782	4.341	50	30		EIEARM
N#CC(C(=O)c1c[nH]c2cc(Cl)ccc21)=C([O-])c1cccc(F)c1	ZINC000101253452	564019331	/nfs/dbraw/zinc/01/93/31/564019331.db2.gz	IDERZKNDOHCFNZ-AWEZNQCLSA-N	-1	0	340.741	4.166	50	30		EIEARM
CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1C(C)(C)C	ZINC000048813719	564032311	/nfs/dbraw/zinc/03/23/11/564032311.db2.gz	BABHILCJFVENCH-CYBMUJFWSA-N	-1	0	349.438	4.128	50	30		EIEARM
N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1nc2ccccc2s1	ZINC000084600498	564069015	/nfs/dbraw/zinc/06/90/15/564069015.db2.gz	LMOGBIYLRLUREO-AWEZNQCLSA-N	-1	0	345.383	4.441	50	30		EIEARM
Cc1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cs1	ZINC000065652080	564108740	/nfs/dbraw/zinc/10/87/40/564108740.db2.gz	IXAXYGBGWLRVJO-SECBINFHSA-N	-1	0	333.825	4.205	50	30		EIEARM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc2cc(Cl)ccc2s1	ZINC000170617272	564110165	/nfs/dbraw/zinc/11/01/65/564110165.db2.gz	RHLBJLSEIIEXKC-JTQLQIEISA-N	-1	0	343.795	4.305	50	30		EIEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000005998618	564113028	/nfs/dbraw/zinc/11/30/28/564113028.db2.gz	JLCHEWZWKAZHGQ-GIJQJNRQSA-N	-1	0	332.791	4.282	50	30		EIEARM
CC(C)(C)c1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000014137540	1022717127	/nfs/dbraw/zinc/71/71/27/1022717127.db2.gz	PGSIOEZAOYCMAV-ONNFQVAWSA-N	-1	0	325.364	4.494	50	30		EIEARM
C[P@](=O)([O-])[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000004119563	210125487	/nfs/dbraw/zinc/12/54/87/210125487.db2.gz	RWLFWCSRVOCWFZ-MRVPVSSYSA-N	-1	0	338.159	4.461	50	30		EIEARM
C=CCn1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1	ZINC000000559681	209664145	/nfs/dbraw/zinc/66/41/45/209664145.db2.gz	IVJRNIYEBDBKCK-UHFFFAOYSA-N	-1	0	334.213	4.121	50	30		EIEARM
Cc1cc(C)c2c([O-])c(C=Nc3ccc(F)c(Cl)c3)c(=O)oc2c1	ZINC000226762972	242115911	/nfs/dbraw/zinc/11/59/11/242115911.db2.gz	SRMIVAGSCPWXKQ-WQLSENKSSA-N	-1	0	345.757	4.194	50	30		EIEARM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1	ZINC000005906392	210556980	/nfs/dbraw/zinc/55/69/80/210556980.db2.gz	RBHPOONBOCCJIL-YBFXNURJSA-N	-1	0	342.399	4.028	50	30		EIEARM
N#CC(=C([O-])c1cccc2ncccc21)c1nc2ccccc2s1	ZINC000330033313	258002413	/nfs/dbraw/zinc/00/24/13/258002413.db2.gz	YZCRMRUZCZOGKC-CQSZACIVSA-N	-1	0	329.384	4.335	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N	ZINC000006556476	563571924	/nfs/dbraw/zinc/57/19/24/563571924.db2.gz	ZRRFBDVLSGVNHY-KEBDBYFISA-N	-1	0	336.420	4.187	50	30		EIEARM
Cc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1	ZINC000002763328	563610427	/nfs/dbraw/zinc/61/04/27/563610427.db2.gz	LQAMUWXYBRIOFC-SECBINFHSA-N	-1	0	345.258	4.314	50	30		EIEARM
Cc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)C/C2=N\[O-]	ZINC000013302274	563694179	/nfs/dbraw/zinc/69/41/79/563694179.db2.gz	REJOFOZEQWTVFH-FABDANFUSA-N	-1	0	345.782	4.217	50	30		EIEARM
CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cccc(C)c1)O2	ZINC000033542396	563916162	/nfs/dbraw/zinc/91/61/62/563916162.db2.gz	LQICTFYVTYLQAR-XDHOZWIPSA-N	-1	0	337.419	4.159	50	30		EIEARM
Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)no1	ZINC000071859282	563929093	/nfs/dbraw/zinc/92/90/93/563929093.db2.gz	ATYMSRISVXXCCI-GFCCVEGCSA-N	-1	0	343.795	4.250	50	30		EIEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccccc1Cl)COc1ccccc1-2	ZINC000013657827	563931473	/nfs/dbraw/zinc/93/14/73/563931473.db2.gz	SGRUPDAVNVZWDX-UHFFFAOYSA-N	-1	0	334.762	4.126	50	30		EIEARM
O=C1c2ccccc2SC1=N[N-]c1c(F)c(F)c(F)c(F)c1F	ZINC000252628134	563997967	/nfs/dbraw/zinc/99/79/67/563997967.db2.gz	SIWIISJVHPIBAX-UHFFFAOYSA-N	-1	0	344.264	4.096	50	30		EIEARM
[O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)Nc1ccccc1	ZINC000252620637	563998001	/nfs/dbraw/zinc/99/80/01/563998001.db2.gz	MIJLIHQCSGJBIT-UHFFFAOYSA-N	-1	0	340.235	4.020	50	30		EIEARM
C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(Cl)c1[O-]	ZINC000024034503	564078822	/nfs/dbraw/zinc/07/88/22/564078822.db2.gz	JEOWVMQOFIPMCA-MRXNPFEDSA-N	-1	0	349.217	4.452	50	30		EIEARM
CCc1nc(C(C#N)=C([O-])c2csc3c2CCCC3)sc1C	ZINC000089282614	564088865	/nfs/dbraw/zinc/08/88/65/564088865.db2.gz	OKEQXVABITYUHI-LBPRGKRZSA-N	-1	0	330.478	4.444	50	30		EIEARM
CSc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1	ZINC000005911765	564093388	/nfs/dbraw/zinc/09/33/88/564093388.db2.gz	LKGWPJNRDYPZTC-VCHYOVAHSA-N	-1	0	344.440	4.351	50	30		EIEARM
O=[N+]([O-])c1ccc([O-])c(C=Nn2c3ccccc3c3ccccc32)c1	ZINC000252604099	564121266	/nfs/dbraw/zinc/12/12/66/564121266.db2.gz	FWIZHUHKGLSDNO-UHFFFAOYSA-N	-1	0	331.331	4.291	50	30		EIEARM
CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccncc2)c1	ZINC000095443400	564140549	/nfs/dbraw/zinc/14/05/49/564140549.db2.gz	DGDSDFNJAMDOHL-AWEZNQCLSA-N	-1	0	346.452	4.044	50	30		EIEARM
CCCn1c2ccccc2nc1/N=C/c1c([O-])c2ccccc2oc1=O	ZINC000823024312	1044225868	/nfs/dbraw/zinc/22/58/68/1044225868.db2.gz	YCPUXIOJKHGUHP-CIAFOILYSA-N	-1	0	347.374	4.009	50	30		EIEARM
O=C(/C=C/c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1[O-]	ZINC000004738052	210264140	/nfs/dbraw/zinc/26/41/40/210264140.db2.gz	GVOZIOWVTNRWID-QHHAFSJGSA-N	-1	0	330.767	4.103	50	30		EIEARM
CCCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000054736610	214253074	/nfs/dbraw/zinc/25/30/74/214253074.db2.gz	JRDGLWSXOTWHFR-NSHDSACASA-N	-1	0	325.393	4.035	50	30		EIEARM
COc1ccc(OC)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000100034079	219089290	/nfs/dbraw/zinc/08/92/90/219089290.db2.gz	HBTQHNKMJASLIF-QGMBQPNBSA-N	-1	0	326.179	4.467	50	30		EIEARM
O=C([O-])c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F	ZINC000100119392	219091693	/nfs/dbraw/zinc/09/16/93/219091693.db2.gz	AQXAOQFYVRCSBV-UHFFFAOYSA-N	-1	0	326.114	4.441	50	30		EIEARM
CCOC(=O)C1=C([O-])c2ccccc2C(=O)C1=Cc1ccc(CC)cc1	ZINC000100209543	219094371	/nfs/dbraw/zinc/09/43/71/219094371.db2.gz	DWQTYVITKCUDOM-AQTBWJFISA-N	-1	0	348.398	4.361	50	30		EIEARM
O=C(C(C=Nc1ccccc1F)=C([O-])c1cccs1)C(F)(F)F	ZINC000100862359	219109437	/nfs/dbraw/zinc/10/94/37/219109437.db2.gz	ROCQGAHVMXXRHM-HJWRWDBZSA-N	-1	0	343.301	4.197	50	30		EIEARM
Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=C([O-])c1ccc(Cl)s1	ZINC000100871465	219109954	/nfs/dbraw/zinc/10/99/54/219109954.db2.gz	UEXBEZDAOMJFKF-LLVKDONJSA-N	-1	0	342.807	4.397	50	30		EIEARM
O=C(C=C([O-])c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	ZINC000101355434	219124184	/nfs/dbraw/zinc/12/41/84/219124184.db2.gz	WXAQJLVFWMIXBK-DHDCSXOGSA-N	-1	0	336.174	4.257	50	30		EIEARM
CCCCCCCSc1cc(OC)c(CC(=O)[O-])cc1OC	ZINC000002193137	258049533	/nfs/dbraw/zinc/04/95/33/258049533.db2.gz	QXQMUUNFIZAIFH-UHFFFAOYSA-N	-1	0	326.458	4.393	50	30		EIEARM
CCCCC[C@@](C)(O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639057	520296720	/nfs/dbraw/zinc/29/67/20/520296720.db2.gz	UEBXYYKXJUBAJX-ULDSDQABSA-N	-1	0	348.483	4.446	50	30	in-vitro	EIEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc1	ZINC000001248251	563381360	/nfs/dbraw/zinc/38/13/60/563381360.db2.gz	IUXIRUKUSAUYII-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
Cc1occc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1	ZINC000058173427	563938979	/nfs/dbraw/zinc/93/89/79/563938979.db2.gz	CZHYKRRMVYCJMI-NSHDSACASA-N	-1	0	344.342	4.480	50	30		EIEARM
Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	ZINC000058265808	563941150	/nfs/dbraw/zinc/94/11/50/563941150.db2.gz	SYJZVNUBCUOMPJ-KRWDZBQOSA-N	-1	0	343.411	4.480	50	30		EIEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cc(-c3ccccc3)ccc2O)c1	ZINC000000243497	563989224	/nfs/dbraw/zinc/98/92/24/563989224.db2.gz	ZZYZQVRRSRNKND-UDWIEESQSA-N	-1	0	334.331	4.424	50	30		EIEARM
Cc1ccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1	ZINC000005238280	564001427	/nfs/dbraw/zinc/00/14/27/564001427.db2.gz	OYARKGAEKJBNFQ-UHFFFAOYSA-N	-1	0	347.443	4.218	50	30		EIEARM
N#CC(=C([O-])c1ccc(F)c(C(F)(F)F)c1)c1nc2ccccc2o1	ZINC000065652467	564108735	/nfs/dbraw/zinc/10/87/35/564108735.db2.gz	PKWMDHVWDJAVEX-SNVBAGLBSA-N	-1	0	348.255	4.476	50	30		EIEARM
N#CC(=C([O-])c1ccc(Br)o1)c1ccc2ccccc2n1	ZINC000089873143	564114513	/nfs/dbraw/zinc/11/45/13/564114513.db2.gz	WUUDVTLJDIRALR-NSHDSACASA-N	-1	0	341.164	4.080	50	30		EIEARM
O=[N+]([O-])c1cc(Cl)cc(C=NN=c2[nH]c3ccccc3s2)c1[O-]	ZINC000252616803	564122087	/nfs/dbraw/zinc/12/20/87/564122087.db2.gz	KFQNDDKHOQLKBQ-UHFFFAOYSA-N	-1	0	348.771	4.010	50	30		EIEARM
CCCCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002309500	564132127	/nfs/dbraw/zinc/13/21/27/564132127.db2.gz	QLSRNXUWEAQSSR-UHFFFAOYSA-N	-1	0	344.411	4.016	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2cc(C)cc(Br)c2)n1	ZINC000155668340	564139661	/nfs/dbraw/zinc/13/96/61/564139661.db2.gz	BPEAAXDTPZYERJ-GFCCVEGCSA-N	-1	0	335.226	4.013	50	30		EIEARM
N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000028249207	564150895	/nfs/dbraw/zinc/15/08/95/564150895.db2.gz	BHCYGJCSDZKYDF-UHFFFAOYSA-N	-1	0	348.383	4.258	50	30		EIEARM
N#CC(=C([O-])c1ccco1)c1nc2ccc(C(F)(F)F)cc2s1	ZINC000003246116	564156559	/nfs/dbraw/zinc/15/65/59/564156559.db2.gz	RKEPASQUAUDTDT-SECBINFHSA-N	-1	0	336.294	4.398	50	30		EIEARM
Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)c1nc(C)cc(C)n1	ZINC000076821294	564176535	/nfs/dbraw/zinc/17/65/35/564176535.db2.gz	WDAWUKZAGORHDL-AWEZNQCLSA-N	-1	0	340.452	4.006	50	30		EIEARM
O=C([O-])c1ccc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)cc1	ZINC000606442946	1043068208	/nfs/dbraw/zinc/06/82/08/1043068208.db2.gz	UJAMUDYZGLIUTA-KPKJPENVSA-N	-1	0	347.292	4.011	50	30		EIEARM
O=C([O-])c1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1O	ZINC000004738520	210264291	/nfs/dbraw/zinc/26/42/91/210264291.db2.gz	KCDMRKSZALHZEL-RGVLZGJSSA-N	-1	0	340.766	4.285	50	30		EIEARM
[O-]c1c(Cl)cc(Cl)c2ccc(NN=Cc3ccncc3)nc12	ZINC000003909628	210091546	/nfs/dbraw/zinc/09/15/46/210091546.db2.gz	JZUNAOHVNOCBJA-UFWORHAWSA-N	-1	0	333.178	4.088	50	30		EIEARM
C=CCn1c(=O)c2c([n-]c1=S)sc1c2CC[C@H](C(C)(C)C)C1	ZINC000003899591	210088178	/nfs/dbraw/zinc/08/81/78/210088178.db2.gz	ACXZLTAPXZPLMQ-JTQLQIEISA-N	-1	0	334.510	4.458	50	30		EIEARM
O=c1[n-]c(=S)[nH]nc1-c1ccccc1N=Cc1ccc(Cl)cc1	ZINC000102301923	219193429	/nfs/dbraw/zinc/19/34/29/219193429.db2.gz	VLEQFMRQJPVOEV-GIJQJNRQSA-N	-1	0	342.811	4.311	50	30		EIEARM
CCCCCCCc1nnc(SCC(=O)[O-])n1Cc1ccccc1	ZINC000002866937	209930921	/nfs/dbraw/zinc/93/09/21/209930921.db2.gz	OHBJDLJOHMZGQM-UHFFFAOYSA-N	-1	0	347.484	4.016	50	30		EIEARM
Nc1ccccc1/N=C/c1cc(Br)cc(Cl)c1[O-]	ZINC000000226612	209496601	/nfs/dbraw/zinc/49/66/01/209496601.db2.gz	YBLPYNGMXUILJA-REZTVBANSA-N	-1	0	325.593	4.141	50	30		EIEARM
Cc1ccc2nc(Cl)c(C=NNc3ccc(C(=O)[O-])cc3)cc2c1	ZINC000005556598	210487674	/nfs/dbraw/zinc/48/76/74/210487674.db2.gz	HAVBZEKWUQYREM-KEBDBYFISA-N	-1	0	339.782	4.341	50	30		EIEARM
CCN(CC)c1ccc(/N=C/c2c([O-])c3ccccc3oc2=O)cc1	ZINC000005509565	210477539	/nfs/dbraw/zinc/47/75/39/210477539.db2.gz	PYSYVNWKMALHCU-FYJGNVAPSA-N	-1	0	336.391	4.095	50	30		EIEARM
Cc1oc(/N=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)c(C#N)c1C	ZINC000016265832	563807105	/nfs/dbraw/zinc/80/71/05/563807105.db2.gz	FRRSEAPSAGKCQK-UFFVCSGVSA-N	-1	0	334.331	4.477	50	30		EIEARM
Cc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1	ZINC000006427544	564086183	/nfs/dbraw/zinc/08/61/83/564086183.db2.gz	IGLLWSDXUQFYMI-UHFFFAOYSA-N	-1	0	333.416	4.322	50	30		EIEARM
N#Cc1ccsc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000006609095	564093235	/nfs/dbraw/zinc/09/32/35/564093235.db2.gz	NKGZLGSNKNHVSQ-UHFFFAOYSA-N	-1	0	339.332	4.040	50	30		EIEARM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000005907018	564093337	/nfs/dbraw/zinc/09/33/37/564093337.db2.gz	YNEMCIPVERVYMO-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
CCc1cccc(CC)c1NN=Cc1cc2cc(C(=O)OC)[n-]c2o1	ZINC000252610871	564121797	/nfs/dbraw/zinc/12/17/97/564121797.db2.gz	IFFIOMHSRYGFRH-UHFFFAOYSA-N	-1	0	339.395	4.118	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cccc1Cl	ZINC000252623795	564123005	/nfs/dbraw/zinc/12/30/05/564123005.db2.gz	OZHOXVAWDSBAJU-UHFFFAOYSA-N	-1	0	347.205	4.184	50	30		EIEARM
COc1ccc(-c2csc(C(C#N)=C([O-])c3cncc(C)c3)n2)cc1	ZINC000132097381	564153367	/nfs/dbraw/zinc/15/33/67/564153367.db2.gz	DPJSRMUFODSYAF-MRXNPFEDSA-N	-1	0	349.415	4.012	50	30		EIEARM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)nc2)n1	ZINC000098053216	1041103364	/nfs/dbraw/zinc/10/33/64/1041103364.db2.gz	UPLSLOVZOQRNLB-KTLBGCOUSA-N	-1	0	331.828	4.205	50	30		EIEARM
COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(Br)c1O	ZINC000033644698	1047685417	/nfs/dbraw/zinc/68/54/17/1047685417.db2.gz	BPFGULKIZQRIBJ-YVMONPNESA-N	-1	0	347.208	4.368	50	30		EIEARM
Cc1cc(=O)[n-]c(SCc2c(Cl)cccc2Cl)c1C#N	ZINC000004600208	210230646	/nfs/dbraw/zinc/23/06/46/210230646.db2.gz	XEFOKPDWHHWCCP-UHFFFAOYSA-N	-1	0	325.220	4.154	50	30		EIEARM
COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cc1OC	ZINC000004029490	210102893	/nfs/dbraw/zinc/10/28/93/210102893.db2.gz	AOXZKEBKRSOYMQ-YRNVUSSQSA-N	-1	0	334.371	4.459	50	30	biogenic	EIEARM
Cc1ccc(-c2nc(SCCc3ccccc3)[n-]c(=O)c2C#N)cc1	ZINC000011691859	211235979	/nfs/dbraw/zinc/23/59/79/211235979.db2.gz	JXIQTGQLJMTNLP-UHFFFAOYSA-N	-1	0	347.443	4.364	50	30		EIEARM
CCOC(=O)C1=C([O-])c2ccccc2C(=O)C1=Cc1ccc(C)cc1	ZINC000095108966	218281786	/nfs/dbraw/zinc/28/17/86/218281786.db2.gz	XKJNCIIGYRXXCE-ATVHPVEESA-N	-1	0	334.371	4.107	50	30		EIEARM
Fc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000005998095	210575538	/nfs/dbraw/zinc/57/55/38/210575538.db2.gz	WTLZHZYPJOIUFF-GIJQJNRQSA-N	-1	0	332.791	4.282	50	30		EIEARM
CCc1c(C)nc(S[C@@H](C(=O)[O-])c2ccccc2)c(C#N)c1C	ZINC000004973876	210344732	/nfs/dbraw/zinc/34/47/32/210344732.db2.gz	AQQRHQRTRXHWHV-MRXNPFEDSA-N	-1	0	326.421	4.051	50	30		EIEARM
CCCCCCCCCCC[C@H]1SC[C@@H](C(=O)[O-])N1C(C)=O	ZINC000095722876	563977657	/nfs/dbraw/zinc/97/76/57/563977657.db2.gz	IMYXKVFFBLITRP-JKSUJKDBSA-N	-1	0	329.506	4.282	50	30		EIEARM
O=C(C(C=Nc1ccccc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000102920802	564020917	/nfs/dbraw/zinc/02/09/17/564020917.db2.gz	VFUWSFOADKRVGX-PKNBQFBNSA-N	-1	0	325.311	4.058	50	30		EIEARM
CC(C=Nn1c(=S)[n-]nc1-c1ccc(F)cc1)=Cc1ccco1	ZINC000005843646	564056593	/nfs/dbraw/zinc/05/65/93/564056593.db2.gz	SCWINNPUTGVCOJ-SLCIPMMZSA-N	-1	0	328.372	4.277	50	30		EIEARM
O=C1C[C@@H](c2ccccc2)N1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000071283024	564110986	/nfs/dbraw/zinc/11/09/86/564110986.db2.gz	PTKZEHUFMFFLEM-FRSZACSASA-N	-1	0	335.190	4.007	50	30		EIEARM
Cc1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)s1	ZINC000071803810	564111174	/nfs/dbraw/zinc/11/11/74/564111174.db2.gz	BUELBKBTAYJTJR-SECBINFHSA-N	-1	0	333.825	4.205	50	30		EIEARM
N#CC(=C([O-])c1ncoc1-c1cccs1)c1ccc2ccccc2n1	ZINC000089873141	564114481	/nfs/dbraw/zinc/11/44/81/564114481.db2.gz	PMUFFHWDNKZZCV-ZDUSSCGKSA-N	-1	0	345.383	4.441	50	30		EIEARM
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3ncccc3c2)c1[O-]	ZINC000252612980	564121909	/nfs/dbraw/zinc/12/19/09/564121909.db2.gz	IYICHMUACMHUPJ-UHFFFAOYSA-N	-1	0	327.727	4.253	50	30		EIEARM
O=[N+]([O-])c1cc2oc3c(c2c(C=Nc2ccccn2)c1[O-])CCCC3	ZINC000252678636	564124880	/nfs/dbraw/zinc/12/48/80/564124880.db2.gz	GQILUKOQIXISMJ-UHFFFAOYSA-N	-1	0	337.335	4.071	50	30		EIEARM
COc1ccccc1[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1	ZINC000328590520	564136719	/nfs/dbraw/zinc/13/67/19/564136719.db2.gz	RXFWDWXZCXPGGJ-CYBMUJFWSA-N	-1	0	342.292	4.037	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2sc(-c3ccccc3)nc2C)n1	ZINC000041518833	564174005	/nfs/dbraw/zinc/17/40/05/564174005.db2.gz	RGSCRRUBAMLZLG-CYBMUJFWSA-N	-1	0	339.445	4.374	50	30		EIEARM
CC(C)(C)n1cnc2cc(/N=C/c3cccc([N+](=O)[O-])c3[O-])ccc21	ZINC000004663625	210240398	/nfs/dbraw/zinc/24/03/98/210240398.db2.gz	YGTGGZWUNNAXPS-VXLYETTFSA-N	-1	0	338.367	4.156	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cccc1Cl	ZINC000100507687	219100974	/nfs/dbraw/zinc/10/09/74/219100974.db2.gz	OZHOXVAWDSBAJU-RGEXLXHISA-N	-1	0	347.205	4.184	50	30		EIEARM
CCOc1ccc(NC(=O)C(=O)C=C([O-])c2ccc(Cl)cc2)cc1	ZINC000101355440	219123768	/nfs/dbraw/zinc/12/37/68/219123768.db2.gz	PYNQJQGXYSFWEM-BOPFTXTBSA-N	-1	0	345.782	4.002	50	30		EIEARM
Cn1c(C(=O)C(C#N)=C([O-])c2cccc(Cl)c2)cc2ccccc21	ZINC000103590568	219316154	/nfs/dbraw/zinc/31/61/54/219316154.db2.gz	JMRFZXJTLPUIGX-OAHLLOKOSA-N	-1	0	336.778	4.037	50	30		EIEARM
C=CCOc1ccc(COc2ccc(CC(=O)[O-])cc2C)cc1C	ZINC000002546365	209865977	/nfs/dbraw/zinc/86/59/77/209865977.db2.gz	KTGSMKJJSOGRCB-UHFFFAOYSA-N	-1	0	326.392	4.074	50	30		EIEARM
O=[N+]([O-])c1cccc(/C=N/N=C2c3ccccc3-c3ccccc32)c1[O-]	ZINC000036032838	213057468	/nfs/dbraw/zinc/05/74/68/213057468.db2.gz	CNEZTGQSLMTCBY-CIAFOILYSA-N	-1	0	343.342	4.152	50	30		EIEARM
Cc1sc(NC(=O)CCC(=O)[O-])c(C#N)c1-c1ccc(C)c(C)c1	ZINC000017071532	211952417	/nfs/dbraw/zinc/95/24/17/211952417.db2.gz	LEJXWZBIQOGDBB-UHFFFAOYSA-N	-1	0	342.420	4.015	50	30		EIEARM
CCc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)[n-]c(=O)c2C#N)cc1	ZINC000012413441	211374002	/nfs/dbraw/zinc/37/40/02/211374002.db2.gz	DXSUOHJSPHJRLK-UHFFFAOYSA-N	-1	0	345.358	4.051	50	30		EIEARM
Cc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1	ZINC000008844181	211011094	/nfs/dbraw/zinc/01/10/94/211011094.db2.gz	SWXUWPBIHGFQCK-UHFFFAOYSA-N	-1	0	333.416	4.322	50	30		EIEARM
N#CC(C#N)[C@@H](c1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(Cl)cc1	ZINC000004813418	210284884	/nfs/dbraw/zinc/28/48/84/210284884.db2.gz	WMWLHSODLDXLIS-INIZCTEOSA-N	-1	0	348.793	4.231	50	30		EIEARM
N#CC(C(=O)CCCc1c[nH]c2ccccc12)=C([O-])c1cccs1	ZINC000103259736	526490115	/nfs/dbraw/zinc/49/01/15/526490115.db2.gz	CPMQZTICICCINP-HNNXBMFYSA-N	-1	0	336.416	4.144	50	30		EIEARM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1	ZINC000001240984	563381022	/nfs/dbraw/zinc/38/10/22/563381022.db2.gz	ZYOOZLMFCLBLJW-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2cccnc2SC2CCCC2)n1	ZINC000073087275	563994787	/nfs/dbraw/zinc/99/47/87/563994787.db2.gz	OQBWIQUUCOFLBO-AWEZNQCLSA-N	-1	0	343.477	4.371	50	30		EIEARM
C=CCOc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1C	ZINC000005793148	564070629	/nfs/dbraw/zinc/07/06/29/564070629.db2.gz	UCIWKKDVCCGRQC-UHFFFAOYSA-N	-1	0	346.810	4.419	50	30		EIEARM
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1	ZINC000000107218	564132844	/nfs/dbraw/zinc/13/28/44/564132844.db2.gz	UTWHUWNLJDBYFR-UHFFFAOYSA-N	-1	0	334.828	4.136	50	30		EIEARM
N#CC(=C([O-])c1occc1Br)c1nc2ccccc2s1	ZINC000390835588	564139044	/nfs/dbraw/zinc/13/90/44/564139044.db2.gz	RRKLRAYUSGEHDJ-MRVPVSSYSA-N	-1	0	347.193	4.142	50	30		EIEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cc(Cl)cs2)s1	ZINC000096413643	564147660	/nfs/dbraw/zinc/14/76/60/564147660.db2.gz	HJVIWYIIANSLCT-UHFFFAOYSA-N	-1	0	349.886	4.049	50	30		EIEARM
N#CCOc1ccccc1/C=C/c1nc2ccc(C(=O)[O-])cc2s1	ZINC000225458205	1037655837	/nfs/dbraw/zinc/65/58/37/1037655837.db2.gz	HUIBDRAWZDOEDU-SOFGYWHQSA-N	-1	0	336.372	4.067	50	30		EIEARM
N#CCOc1ccccc1/C=C\c1nc2ccc(C(=O)[O-])cc2s1	ZINC000606442866	1043067389	/nfs/dbraw/zinc/06/73/89/1043067389.db2.gz	HUIBDRAWZDOEDU-VURMDHGXSA-N	-1	0	336.372	4.067	50	30		EIEARM
CCc1cccc(CC)c1NN=Cc1cc2cc(C(=O)OC)[n-]c2o1	ZINC000004473066	210197326	/nfs/dbraw/zinc/19/73/26/210197326.db2.gz	IFFIOMHSRYGFRH-RGVLZGJSSA-N	-1	0	339.395	4.118	50	30		EIEARM
C=C(C)Cn1c(=O)c2c([n-]c1=S)sc1c2CCc2ccccc2-1	ZINC000001259970	209721418	/nfs/dbraw/zinc/72/14/18/209721418.db2.gz	WRHVLMICXJFRPQ-UHFFFAOYSA-N	-1	0	340.473	4.462	50	30		EIEARM
Cc1nc([N-]c2nc3ccccc3o2)nc(-c2ccc(F)cc2)c1C#N	ZINC000009087776	211039429	/nfs/dbraw/zinc/03/94/29/211039429.db2.gz	AZQZFIZPDVSJOJ-UHFFFAOYSA-N	-1	0	345.337	4.348	50	30		EIEARM
N#CC(=C([O-])c1cccc2ncccc21)c1nc2ccccc2s1	ZINC000330033311	258002330	/nfs/dbraw/zinc/00/23/30/258002330.db2.gz	YZCRMRUZCZOGKC-AWEZNQCLSA-N	-1	0	329.384	4.335	50	30		EIEARM
CCCCOc1ccccc1N=C(CC(=O)c1ccccc1)C(=O)[O-]	ZINC000003618998	520910806	/nfs/dbraw/zinc/91/08/06/520910806.db2.gz	AGNRHEPBUZHTHI-SAPNQHFASA-N	-1	0	339.391	4.129	50	30		EIEARM
Cc1ccccc1NC(=O)C([O-])=C(C#N)c1c(Cl)cccc1Cl	ZINC000001613833	563396509	/nfs/dbraw/zinc/39/65/09/563396509.db2.gz	WFFUTFJBQABSPG-LLVKDONJSA-N	-1	0	347.201	4.117	50	30		EIEARM
N#CC(=C([O-])c1ccccc1C(F)(F)F)c1nc2ccccc2o1	ZINC000058282896	563941664	/nfs/dbraw/zinc/94/16/64/563941664.db2.gz	BTWKYJGXVQWVIM-LLVKDONJSA-N	-1	0	330.265	4.337	50	30		EIEARM
COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1F	ZINC000097016250	563966705	/nfs/dbraw/zinc/96/67/05/563966705.db2.gz	SQURGDXANNIRLY-LLVKDONJSA-N	-1	0	344.342	4.073	50	30		EIEARM
Cc1nc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)co2)cs1	ZINC000408512827	563992708	/nfs/dbraw/zinc/99/27/08/563992708.db2.gz	FCISXRNTIARTDP-GFCCVEGCSA-N	-1	0	348.387	4.078	50	30		EIEARM
CCc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1	ZINC000177946788	564014936	/nfs/dbraw/zinc/01/49/36/564014936.db2.gz	HXJXIVOSFGAKMO-LBPRGKRZSA-N	-1	0	343.333	4.385	50	30		EIEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1Cl	ZINC000005911687	564056956	/nfs/dbraw/zinc/05/69/56/564056956.db2.gz	XIMDHWDUADZOJH-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
N#CC(=C([O-])c1ccc(Br)o1)c1ccc2ccccc2n1	ZINC000089873142	564114473	/nfs/dbraw/zinc/11/44/73/564114473.db2.gz	WUUDVTLJDIRALR-LLVKDONJSA-N	-1	0	341.164	4.080	50	30		EIEARM
Cc1ccc(N=Cc2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c(O)c1	ZINC000252635190	564124582	/nfs/dbraw/zinc/12/45/82/564124582.db2.gz	WUVOJFUZOALKBD-UHFFFAOYSA-N	-1	0	334.759	4.335	50	30		EIEARM
Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)O2	ZINC000299738141	564150477	/nfs/dbraw/zinc/15/04/77/564150477.db2.gz	BDQSTZZTZRCNED-AUWJEWJLSA-N	-1	0	345.738	4.187	50	30		EIEARM
CSc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1	ZINC000033738226	1053775743	/nfs/dbraw/zinc/77/57/43/1053775743.db2.gz	ARKQSTIMTKDNMX-FOWTUZBSSA-N	-1	0	349.411	4.151	50	30		EIEARM
O=C1C=C(Nc2cc(Cl)c([O-])c(Cl)c2)C(=O)c2ccccc21	ZINC000101415493	219126400	/nfs/dbraw/zinc/12/64/00/219126400.db2.gz	XKRUCVBWTVRNCH-UHFFFAOYSA-N	-1	0	334.158	4.074	50	30		EIEARM
C=CCn1c(C(=O)[O-])cc2c(-c3cccs3)nn(-c3ccccc3)c21	ZINC000031773361	212747253	/nfs/dbraw/zinc/74/72/53/212747253.db2.gz	LNKVZJQPICRANQ-UHFFFAOYSA-N	-1	0	349.415	4.440	50	30		EIEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1Cl	ZINC000004889171	210313738	/nfs/dbraw/zinc/31/37/38/210313738.db2.gz	MYGFMAMMBDSGKI-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(Br)c1	ZINC000000240739	563989121	/nfs/dbraw/zinc/98/91/21/563989121.db2.gz	FZDCMMPDFGXGHN-LZYBPNLTSA-N	-1	0	335.157	4.122	50	30		EIEARM
COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1Br	ZINC000005549056	564005232	/nfs/dbraw/zinc/00/52/32/564005232.db2.gz	KXSKRIQLDQIBNJ-SOFGYWHQSA-N	-1	0	333.181	4.059	50	30	in-vivo	EIEARM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1Cl	ZINC000005911081	564056954	/nfs/dbraw/zinc/05/69/54/564056954.db2.gz	IPONMPFVIAMEIV-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1	ZINC000016147427	564079878	/nfs/dbraw/zinc/07/98/78/564079878.db2.gz	WWYFTKDTAQUSHP-UHFFFAOYSA-N	-1	0	334.400	4.026	50	30		EIEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c(=O)o1	ZINC000006188574	564080324	/nfs/dbraw/zinc/08/03/24/564080324.db2.gz	BVAZKAKOPLLMDY-FMIVXFBMSA-N	-1	0	332.355	4.217	50	30		EIEARM
O=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000252460970	564118699	/nfs/dbraw/zinc/11/86/99/564118699.db2.gz	JOBBKXSYXMCNSV-UHFFFAOYSA-N	-1	0	326.139	4.053	50	30		EIEARM
N#CC(=C([O-])c1occc1Br)c1nc2ccccc2s1	ZINC000390835589	564139033	/nfs/dbraw/zinc/13/90/33/564139033.db2.gz	RRKLRAYUSGEHDJ-QMMMGPOBSA-N	-1	0	347.193	4.142	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2cc(C)cc(Br)c2)n1	ZINC000155668456	564139683	/nfs/dbraw/zinc/13/96/83/564139683.db2.gz	BPEAAXDTPZYERJ-LBPRGKRZSA-N	-1	0	335.226	4.013	50	30		EIEARM
Cc1cccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)c1	ZINC000100560902	219102101	/nfs/dbraw/zinc/10/21/01/219102101.db2.gz	RAGDFOYETCXZGK-XFXZXTDPSA-N	-1	0	339.338	4.367	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1	ZINC000100871534	219110404	/nfs/dbraw/zinc/11/04/04/219110404.db2.gz	WNJJXXJIXNFSPQ-GRYCIOLGSA-N	-1	0	343.370	4.317	50	30		EIEARM
CSc1ccc(C)c(C(=O)C(C#N)=C([O-])c2ccc(C)s2)c1	ZINC000102763748	219229618	/nfs/dbraw/zinc/22/96/18/219229618.db2.gz	YLGVFRJQLKQFRB-CQSZACIVSA-N	-1	0	329.446	4.292	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2cccc(C(F)(F)F)c2)s1	ZINC000102763737	219229643	/nfs/dbraw/zinc/22/96/43/219229643.db2.gz	NQZWDGCDHJJECM-LBPRGKRZSA-N	-1	0	337.322	4.281	50	30		EIEARM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1	ZINC000040447888	213305307	/nfs/dbraw/zinc/30/53/07/213305307.db2.gz	AEZYITBOKXEFOT-XCVCLJGOSA-N	-1	0	336.265	4.180	50	30		EIEARM
COc1ccc(C2(C#N)CCC(C(=O)[O-])CC2)cc1OC1CCCC1	ZINC000000005871	208548926	/nfs/dbraw/zinc/54/89/26/208548926.db2.gz	CFBUZOUXXHZCFB-UHFFFAOYSA-N	-1	0	343.423	4.053	50	30	investigational	EIEARM
CCCCOc1ccc(CN=Nc2nc(Cl)ccc2C(=O)[O-])cc1	ZINC000004595786	520855272	/nfs/dbraw/zinc/85/52/72/520855272.db2.gz	JLNGTPPUTOYSKJ-YBFXNURJSA-N	-1	0	347.802	4.058	50	30		EIEARM
Cc1cc([N+](=O)[O-])cc(/N=C/c2ccc(Br)cc2)c1[O-]	ZINC000085345207	563973788	/nfs/dbraw/zinc/97/37/88/563973788.db2.gz	DIKHRLTZCMKEGX-LZYBPNLTSA-N	-1	0	335.157	4.122	50	30		EIEARM
Cc1sc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C#N)c1C	ZINC000027929570	563996373	/nfs/dbraw/zinc/99/63/73/563996373.db2.gz	AGPNUAYLDMWBDP-UHFFFAOYSA-N	-1	0	342.445	4.191	50	30		EIEARM
Cc1nscc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1	ZINC000180440383	564013356	/nfs/dbraw/zinc/01/33/56/564013356.db2.gz	BAGQPYZOSBKPTR-SECBINFHSA-N	-1	0	333.825	4.205	50	30		EIEARM
N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1nc2ccccc2s1	ZINC000084600500	564069007	/nfs/dbraw/zinc/06/90/07/564069007.db2.gz	LMOGBIYLRLUREO-CQSZACIVSA-N	-1	0	345.383	4.441	50	30		EIEARM
CCc1oc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C	ZINC000101652929	564076856	/nfs/dbraw/zinc/07/68/56/564076856.db2.gz	UYWUWAHASODRFG-ZDUSSCGKSA-N	-1	0	344.798	4.073	50	30		EIEARM
CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc(C(C)C)cc1	ZINC000252602422	564121231	/nfs/dbraw/zinc/12/12/31/564121231.db2.gz	FHSCPCPBEVZFNJ-UHFFFAOYSA-N	-1	0	344.422	4.466	50	30		EIEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccc(Cl)cc1)CCc1ccccc1-2	ZINC000000159932	564132918	/nfs/dbraw/zinc/13/29/18/564132918.db2.gz	LYLUMGUGJGCZKK-UHFFFAOYSA-N	-1	0	332.790	4.333	50	30		EIEARM
Cc1c(Cl)cccc1NC(=O)C(=O)C=C([O-])c1ccc(F)cc1	ZINC000101355458	219123832	/nfs/dbraw/zinc/12/38/32/219123832.db2.gz	HIIXHFPPCQLZBJ-SXGWCWSVSA-N	-1	0	333.746	4.051	50	30		EIEARM
Cn1cccc1C=NNc1ccc2c(Cl)cc(Cl)c([O-])c2n1	ZINC000003909642	210092262	/nfs/dbraw/zinc/09/22/62/210092262.db2.gz	NVWFPMHMTGIPIN-QGMBQPNBSA-N	-1	0	335.194	4.032	50	30		EIEARM
Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000071892493	215930476	/nfs/dbraw/zinc/93/04/76/215930476.db2.gz	DDGVDIBDEDWDBT-JXMROGBWSA-N	-1	0	329.421	4.343	50	30		EIEARM
CCCCCCCCCCNC(=O)c1c([O-])c2ccccc2[nH]c1=O	ZINC000002278747	258049575	/nfs/dbraw/zinc/04/95/75/258049575.db2.gz	KGPMPKHFXMEGCI-UHFFFAOYSA-N	-1	0	344.455	4.104	50	30		EIEARM
C[C@H](Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1)C(=O)[O-]	ZINC000021334287	525929948	/nfs/dbraw/zinc/92/99/48/525929948.db2.gz	WFGGHMOHEBASTO-DJTWPOEFSA-N	-1	0	330.767	4.088	50	30		EIEARM
COc1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c(OC)cc1C	ZINC000071404802	563964302	/nfs/dbraw/zinc/96/43/02/563964302.db2.gz	DZODLXJUMYSWSA-GQCTYLIASA-N	-1	0	332.783	4.267	50	30		EIEARM
O=C(C=C([O-])c1ccc(Cl)cc1)C(O)=CC(=O)c1ccccc1	ZINC000100676712	563994765	/nfs/dbraw/zinc/99/47/65/563994765.db2.gz	NSSXDNMPSQMUAZ-ODPUSEOTSA-N	-1	0	328.751	4.289	50	30		EIEARM
C=CCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000001168123	564054566	/nfs/dbraw/zinc/05/45/66/564054566.db2.gz	UMADUVFNQHCZET-POHAHGRESA-N	-1	0	346.260	4.086	50	30		EIEARM
Cc1cc(=O)oc2c(C=Nc3cccc4cccnc43)c([O-])ccc12	ZINC000252611060	564121812	/nfs/dbraw/zinc/12/18/12/564121812.db2.gz	IGSGBUMLCWHTFX-UHFFFAOYSA-N	-1	0	330.343	4.106	50	30		EIEARM
Cc1ccn2c(c1)nc(-c1ccccc1O)c2N=Cc1ccccc1O	ZINC000390826108	564138453	/nfs/dbraw/zinc/13/84/53/564138453.db2.gz	BVWBNKZUSMCXDL-UHFFFAOYSA-N	-1	0	343.386	4.472	50	30		EIEARM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C(C)C)n1	ZINC000390834442	564138953	/nfs/dbraw/zinc/13/89/53/564138953.db2.gz	YWMSQHZPDQGQJW-LBPRGKRZSA-N	-1	0	336.420	4.008	50	30		EIEARM
N#Cc1c(=O)[n-]c(-c2ccc(Br)cc2)cc1C(F)F	ZINC000039933680	564167740	/nfs/dbraw/zinc/16/77/40/564167740.db2.gz	VLBDWJLCFKITLO-UHFFFAOYSA-N	-1	0	325.112	4.026	50	30		EIEARM
CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCCC2	ZINC000055150914	214279049	/nfs/dbraw/zinc/27/90/49/214279049.db2.gz	LDOVIFTWZZNWGI-UHFFFAOYSA-N	-1	0	348.468	4.108	50	30		EIEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Oc1cccc(C(F)(F)F)c1	ZINC000100468211	219099973	/nfs/dbraw/zinc/09/99/73/219099973.db2.gz	RXWMVBYXOVJFBW-QGMBQPNBSA-N	-1	0	326.230	4.214	50	30		EIEARM
O=C([O-])c1ccccc1NC1=C(Cl)C(=O)C[C@@H](c2ccccc2)C1	ZINC000005224642	210418263	/nfs/dbraw/zinc/41/82/63/210418263.db2.gz	DUDBSNUOWCTOLM-ZDUSSCGKSA-N	-1	0	341.794	4.394	50	30		EIEARM
N#Cc1c(=O)[n-]c(-c2ccc(Br)cc2)cc1C(F)(F)F	ZINC000002568826	564015958	/nfs/dbraw/zinc/01/59/58/564015958.db2.gz	UBDNMEINEIKIDK-UHFFFAOYSA-N	-1	0	343.102	4.107	50	30		EIEARM
CC(=O)n1c2ccccc2c2nc([N-]N=C(C)C(F)(F)F)sc21	ZINC000000479953	564013439	/nfs/dbraw/zinc/01/34/39/564013439.db2.gz	PBUZKCHIDRWRGV-UHFFFAOYSA-N	-1	0	340.330	4.261	50	30		EIEARM
CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)c1	ZINC000005817436	564093358	/nfs/dbraw/zinc/09/33/58/564093358.db2.gz	PIHAYKRJVZYIJF-XDHOZWIPSA-N	-1	0	338.436	4.277	50	30		EIEARM
CCCOc1ccc(C=Nc2sc3c(c2C#N)CCC3)c(O)c1	ZINC000254478526	1038015318	/nfs/dbraw/zinc/01/53/18/1038015318.db2.gz	IZXQOVFOWWKISP-UHFFFAOYSA-N	-1	0	326.421	4.353	50	30		EIEARM
COc1ccc2oc(C)c(C([O-])=C(C#N)c3nc4ccccc4o3)c2c1	ZINC000054736220	214252709	/nfs/dbraw/zinc/25/27/09/214252709.db2.gz	UXFIIQYKJVCPMG-AWEZNQCLSA-N	-1	0	346.342	4.381	50	30		EIEARM
Cc1occc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1	ZINC000058173426	214493877	/nfs/dbraw/zinc/49/38/77/214493877.db2.gz	CZHYKRRMVYCJMI-LLVKDONJSA-N	-1	0	344.342	4.480	50	30		EIEARM
Cc1ccc(OC(F)F)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000098053803	219074616	/nfs/dbraw/zinc/07/46/16/219074616.db2.gz	XCGAFMSSNJMQPN-YVMONPNESA-N	-1	0	332.302	4.191	50	30		EIEARM
COc1ccc2cc(C(C)=NNc3ccc(C(=O)[O-])cc3)ccc2c1	ZINC000004587149	210228110	/nfs/dbraw/zinc/22/81/10/210228110.db2.gz	YKXNRMZXPFYJNL-FYJGNVAPSA-N	-1	0	334.375	4.383	50	30	biogenic	EIEARM
Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=C([O-])c1ccc(Cl)s1	ZINC000100871466	219109889	/nfs/dbraw/zinc/10/98/89/219109889.db2.gz	UEXBEZDAOMJFKF-NSHDSACASA-N	-1	0	342.807	4.397	50	30		EIEARM
Cc1c(/N=C/c2ccc([O-])c(Br)c2)cccc1[N+](=O)[O-]	ZINC000101055322	219115123	/nfs/dbraw/zinc/11/51/23/219115123.db2.gz	PDQKXFPWLJRQCN-LZYBPNLTSA-N	-1	0	335.157	4.122	50	30		EIEARM
C=CCn1c(=O)c2c([n-]c1=S)sc1c2CC[C@@H](C(C)(C)C)C1	ZINC000003899590	210088017	/nfs/dbraw/zinc/08/80/17/210088017.db2.gz	ACXZLTAPXZPLMQ-SNVBAGLBSA-N	-1	0	334.510	4.458	50	30		EIEARM
CSc1ccc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000013361794	211549832	/nfs/dbraw/zinc/54/98/32/211549832.db2.gz	YWACBFOKTMQTMZ-YQJFHSMKSA-N	-1	0	342.416	4.157	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000012403892	211368993	/nfs/dbraw/zinc/36/89/93/211368993.db2.gz	IZNIRFGZHFOJRS-HKWRFOASSA-N	-1	0	347.205	4.184	50	30		EIEARM
O=C([O-])c1ccc(/C=C2\Oc3c(cc(Cl)cc3Cl)C2=O)cc1	ZINC000299738314	563648380	/nfs/dbraw/zinc/64/83/80/563648380.db2.gz	UGMOKFSILPPTSC-ACAGNQJTSA-N	-1	0	335.142	4.308	50	30		EIEARM
Cc1occc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000058185904	563939371	/nfs/dbraw/zinc/93/93/71/563939371.db2.gz	LZFDIAYLRJAGKF-OAHLLOKOSA-N	-1	0	333.372	4.073	50	30		EIEARM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccsc1	ZINC000103513068	564022669	/nfs/dbraw/zinc/02/26/69/564022669.db2.gz	PFSPULATNRSYEM-HNNXBMFYSA-N	-1	0	336.416	4.062	50	30		EIEARM
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(Cl)c1[O-]	ZINC000024034505	564078788	/nfs/dbraw/zinc/07/87/88/564078788.db2.gz	JEOWVMQOFIPMCA-INIZCTEOSA-N	-1	0	349.217	4.452	50	30		EIEARM
COc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000005911555	564093321	/nfs/dbraw/zinc/09/33/21/564093321.db2.gz	RDYLLAYJGVHUNR-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
N#CC(=C([O-])c1ncoc1-c1cccs1)c1ccc2ccccc2n1	ZINC000089873140	564114451	/nfs/dbraw/zinc/11/44/51/564114451.db2.gz	PMUFFHWDNKZZCV-CYBMUJFWSA-N	-1	0	345.383	4.441	50	30		EIEARM
Cn1ccc2c1cccc2C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	ZINC000076020284	564114556	/nfs/dbraw/zinc/11/45/56/564114556.db2.gz	PIVRHWGLUZMBTJ-AWEZNQCLSA-N	-1	0	343.308	4.082	50	30		EIEARM
N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000194102636	564120407	/nfs/dbraw/zinc/12/04/07/564120407.db2.gz	PRJKTTVVSVQWDE-UHFFFAOYSA-N	-1	0	339.332	4.040	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc2cccnc21	ZINC000252621183	564122824	/nfs/dbraw/zinc/12/28/24/564122824.db2.gz	MUQYCMMELRHRHE-UHFFFAOYSA-N	-1	0	328.375	4.185	50	30		EIEARM
N#CCOc1ccccc1/C=C\c1cc(C(=O)[O-])c2ccccc2n1	ZINC000033581525	1047528496	/nfs/dbraw/zinc/52/84/96/1047528496.db2.gz	CHMULZWBGQBHSY-KTKRTIGZSA-N	-1	0	330.343	4.006	50	30		EIEARM
Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1nc(-c2ccccc2)cs1	ZINC000004695847	210250759	/nfs/dbraw/zinc/25/07/59/210250759.db2.gz	YYEKVALETQMOPM-UHFFFAOYSA-N	-1	0	348.431	4.195	50	30		EIEARM
Cc1ccc(C([O-])=CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000101024086	219114299	/nfs/dbraw/zinc/11/42/99/219114299.db2.gz	BBHMXIHMFUSCMW-YBEGLDIGSA-N	-1	0	349.308	4.277	50	30		EIEARM
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1[O-]	ZINC000004024315	210102011	/nfs/dbraw/zinc/10/20/11/210102011.db2.gz	KPLQKFBNNJWNED-WEVVVXLNSA-N	-1	0	332.355	4.213	50	30	biogenic	EIEARM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2OC(F)F)c1[O-]	ZINC000102417588	219201717	/nfs/dbraw/zinc/20/17/17/219201717.db2.gz	URCDPOZOMHCKFE-CNHKJKLMSA-N	-1	0	342.685	4.306	50	30		EIEARM
N#Cc1nc(-c2cccc3ccccc32)oc1NCCCCCC(=O)[O-]	ZINC000334162140	258016071	/nfs/dbraw/zinc/01/60/71/258016071.db2.gz	KNXIEEOUHMINAL-UHFFFAOYSA-N	-1	0	349.390	4.423	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)CCc2c[nH]c3ccccc23)s1	ZINC000102763704	526240226	/nfs/dbraw/zinc/24/02/26/526240226.db2.gz	DFKFVGFXTKFCOW-HNNXBMFYSA-N	-1	0	336.416	4.062	50	30		EIEARM
Cc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000101457388	564019454	/nfs/dbraw/zinc/01/94/54/564019454.db2.gz	ZVATYOZWRRJITP-POHAHGRESA-N	-1	0	330.199	4.453	50	30		EIEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2)cc1	ZINC000001254961	563381745	/nfs/dbraw/zinc/38/17/45/563381745.db2.gz	HXKUZVKLHRESLR-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
N#Cc1c(=O)[n-]c(Nc2nc3ccccc3s2)nc1-c1ccccc1	ZINC000013576948	563930206	/nfs/dbraw/zinc/93/02/06/563930206.db2.gz	JDTPRUMMOBSXGB-UHFFFAOYSA-N	-1	0	345.387	4.074	50	30		EIEARM
CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(F)cc1	ZINC000098001421	563970912	/nfs/dbraw/zinc/97/09/12/563970912.db2.gz	CKVMPQLRNHNNIH-XDJHFCHBSA-N	-1	0	342.480	4.220	50	30		EIEARM
Cc1cc(C)c(C#N)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000000981531	564053819	/nfs/dbraw/zinc/05/38/19/564053819.db2.gz	OTMVMNYEJUBPLF-UHFFFAOYSA-N	-1	0	342.464	4.273	50	30		EIEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C)cc2)cc1	ZINC000005906645	564056889	/nfs/dbraw/zinc/05/68/89/564056889.db2.gz	QAJSABQPUPGVLG-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2F)cc1	ZINC000005906660	564056898	/nfs/dbraw/zinc/05/68/98/564056898.db2.gz	HKYZNPJFARWGMS-YBFXNURJSA-N	-1	0	342.399	4.028	50	30		EIEARM
COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(F)(F)F)c2)c1[O-]	ZINC000002825867	564076099	/nfs/dbraw/zinc/07/60/99/564076099.db2.gz	SYIQMGDHEPNSMZ-UFWORHAWSA-N	-1	0	340.257	4.078	50	30		EIEARM
Cc1nc(C)c(C(=O)Nc2c(O)cc(Br)cc2Cl)o1	ZINC000328592047	564136752	/nfs/dbraw/zinc/13/67/52/564136752.db2.gz	RIXMZXKQDVLACH-UHFFFAOYSA-N	-1	0	345.580	4.049	50	30		EIEARM
O=C1c2ccccc2C(=O)C1=CC(F)=CC1=C([O-])c2ccccc2C1=O	ZINC000100348264	1020145419	/nfs/dbraw/zinc/14/54/19/1020145419.db2.gz	NWLQYQVTJWTYBB-LUAWRHEFSA-N	-1	0	346.313	4.011	50	30		EIEARM
COc1ccc([C@@]2(C#N)CC[C@H](C(=O)[O-])CC2)cc1OC1CCCC1	ZINC000100042108	219089205	/nfs/dbraw/zinc/08/92/05/219089205.db2.gz	CFBUZOUXXHZCFB-OYOVHJISSA-N	-1	0	343.423	4.053	50	30	investigational	EIEARM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2cccnc2)cc1	ZINC000000558917	526368433	/nfs/dbraw/zinc/36/84/33/526368433.db2.gz	JCGXHRUPRXKZIY-WSDLNYQXSA-N	-1	0	332.359	4.109	50	30		EIEARM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cc3ccccc3nc2Cl)c1	ZINC000005731729	563548159	/nfs/dbraw/zinc/54/81/59/563548159.db2.gz	HGXGLUARSSTIRF-GIJQJNRQSA-N	-1	0	327.727	4.253	50	30		EIEARM
CC(C)(C)c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000006075317	563558669	/nfs/dbraw/zinc/55/86/69/563558669.db2.gz	KKUIJVBQAWANCL-CIAFOILYSA-N	-1	0	344.422	4.250	50	30		EIEARM
O=[N+]([O-])c1ccc([O-])c(/C=N\N=C2c3ccccc3-c3ccccc32)c1	ZINC000013511540	563700232	/nfs/dbraw/zinc/70/02/32/563700232.db2.gz	IMVJNWBYQSODKO-MTJSOVHGSA-N	-1	0	343.342	4.152	50	30		EIEARM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)n2c3ccccc3nc2c1C#N	ZINC000005587687	564005998	/nfs/dbraw/zinc/00/59/98/564005998.db2.gz	VUTUTDRAQYQIRO-UHFFFAOYSA-N	-1	0	342.358	4.109	50	30		EIEARM
CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1C(C)(C)C	ZINC000048813720	564032334	/nfs/dbraw/zinc/03/23/34/564032334.db2.gz	BABHILCJFVENCH-ZDUSSCGKSA-N	-1	0	349.438	4.128	50	30		EIEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(F)c2)c1	ZINC000005906932	564093351	/nfs/dbraw/zinc/09/33/51/564093351.db2.gz	XIHSTLREXHVABE-YBFXNURJSA-N	-1	0	342.399	4.028	50	30		EIEARM
CC(C)c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000004611295	210232104	/nfs/dbraw/zinc/23/21/04/210232104.db2.gz	CUKHTEIWGNBXAX-RGVLZGJSSA-N	-1	0	330.395	4.076	50	30		EIEARM
O=C([O-])c1ccc(N/N=C2\Sc3c(ccc4ccccc34)C2=O)cc1	ZINC000004499538	210205676	/nfs/dbraw/zinc/20/56/76/210205676.db2.gz	LSBIPTCTSVTWDM-UZYVYHOESA-N	-1	0	348.383	4.252	50	30		EIEARM
O=C(C(/C=N/[O-])=NNc1ccccc1)c1ccc(Cl)cc1Cl	ZINC000100467991	219099728	/nfs/dbraw/zinc/09/97/28/219099728.db2.gz	XKJIJDOGNXFXLF-NPOUHDBISA-N	-1	0	336.178	4.104	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1	ZINC000066545366	215052223	/nfs/dbraw/zinc/05/22/23/215052223.db2.gz	SUYRYTNETWTOIW-CQSZACIVSA-N	-1	0	333.372	4.073	50	30		EIEARM
CCCCCCCCCCN1c2ccccc2C(=O)[C@H](C(=O)[O-])C1=O	ZINC000003022470	520019676	/nfs/dbraw/zinc/01/96/76/520019676.db2.gz	WWJUPWFGYFHABY-KRWDZBQOSA-N	-1	0	345.439	4.057	50	30		EIEARM
Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1	ZINC000058265807	524226580	/nfs/dbraw/zinc/22/65/80/524226580.db2.gz	SYJZVNUBCUOMPJ-QGZVFWFLSA-N	-1	0	343.411	4.480	50	30		EIEARM
FC(F)(F)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000001242823	563380997	/nfs/dbraw/zinc/38/09/97/563380997.db2.gz	FOKDRYRQIRJUJO-QGMBQPNBSA-N	-1	0	338.314	4.102	50	30		EIEARM
O=C1c2ccccc2S/C1=N/[N-]c1c(F)c(F)c(F)c(F)c1F	ZINC000008519971	563631508	/nfs/dbraw/zinc/63/15/08/563631508.db2.gz	SIWIISJVHPIBAX-KGENOOAVSA-N	-1	0	344.264	4.096	50	30		EIEARM
CCCCc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])cc1	ZINC000003091541	563901172	/nfs/dbraw/zinc/90/11/72/563901172.db2.gz	OGVGFUFLXGCFTJ-XDHOZWIPSA-N	-1	0	328.368	4.402	50	30		EIEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccc(Cl)cc1)COc1ccccc1-2	ZINC000013657821	563931486	/nfs/dbraw/zinc/93/14/86/563931486.db2.gz	ORBJBHORENRNCH-UHFFFAOYSA-N	-1	0	334.762	4.126	50	30		EIEARM
O=C([O-])c1ccc(NN=Cc2cc3ccccc3nc2Cl)cc1	ZINC000005563094	564005611	/nfs/dbraw/zinc/00/56/11/564005611.db2.gz	IEFQXBVSDWMOGI-VXLYETTFSA-N	-1	0	325.755	4.032	50	30		EIEARM
Cc1cc2ncn(/N=C/c3cc(Br)ccc3O)c2cc1C	ZINC000000532473	564021584	/nfs/dbraw/zinc/02/15/84/564021584.db2.gz	MHDXWASTPAMUPA-UFWORHAWSA-N	-1	0	344.212	4.003	50	30		EIEARM
N#Cc1cnc([N-]c2nc3ccccc3s2)nc1-c1ccccc1	ZINC000001264705	564062771	/nfs/dbraw/zinc/06/27/71/564062771.db2.gz	FNCBFTNYQSNRLI-UHFFFAOYSA-N	-1	0	329.388	4.369	50	30		EIEARM
COc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1	ZINC000005911332	564093335	/nfs/dbraw/zinc/09/33/35/564093335.db2.gz	BGPSSFASZRAKSM-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2sc(-c3ccccc3)nc2C)n1	ZINC000041518831	564173985	/nfs/dbraw/zinc/17/39/85/564173985.db2.gz	RGSCRRUBAMLZLG-ZDUSSCGKSA-N	-1	0	339.445	4.374	50	30		EIEARM
Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)c1nc(C)cc(C)n1	ZINC000076821299	564176518	/nfs/dbraw/zinc/17/65/18/564176518.db2.gz	WDAWUKZAGORHDL-CQSZACIVSA-N	-1	0	340.452	4.006	50	30		EIEARM
CCOc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2O)cc1OC	ZINC000004368334	210179921	/nfs/dbraw/zinc/17/99/21/210179921.db2.gz	LFXYGKBRLXTZDT-SOFGYWHQSA-N	-1	0	326.392	4.312	50	30		EIEARM
O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000004017999	210101041	/nfs/dbraw/zinc/10/10/41/210101041.db2.gz	YVLXBPBNRXHJBN-FRKPEAEDSA-N	-1	0	326.139	4.053	50	30		EIEARM
O=[N+]([O-])c1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1[O-]	ZINC000036075071	213059525	/nfs/dbraw/zinc/05/95/25/213059525.db2.gz	CNEZTGQSLMTCBY-MTJSOVHGSA-N	-1	0	343.342	4.152	50	30		EIEARM
CCCCCCCCCCN1c2ccccc2C(=O)[C@@H](C(=O)[O-])C1=O	ZINC000003022468	520020119	/nfs/dbraw/zinc/02/01/19/520020119.db2.gz	WWJUPWFGYFHABY-QGZVFWFLSA-N	-1	0	345.439	4.057	50	30		EIEARM
CCCCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000004749636	520855560	/nfs/dbraw/zinc/85/55/60/520855560.db2.gz	BFLMJOMSJNXGHV-DEDYPNTBSA-N	-1	0	342.395	4.018	50	30		EIEARM
O=C([O-])COc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1	ZINC000008321906	527617375	/nfs/dbraw/zinc/61/73/75/527617375.db2.gz	TZBWWUMSAGFCKT-JLHYYAGUSA-N	-1	0	332.355	4.199	50	30		EIEARM
O=[N+]([O-])c1ccc(F)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000095465	563223851	/nfs/dbraw/zinc/22/38/51/563223851.db2.gz	AONWMMPFMDANKO-UBKPWBPPSA-N	-1	0	329.114	4.497	50	30		EIEARM
O=C([O-])c1cccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1	ZINC000000566439	563348076	/nfs/dbraw/zinc/34/80/76/563348076.db2.gz	YCUXWIXYKTWRRU-KEBDBYFISA-N	-1	0	335.315	4.124	50	30		EIEARM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21	ZINC000000616966	563358786	/nfs/dbraw/zinc/35/87/86/563358786.db2.gz	KXRNNPHBRHLCFK-UHFFFAOYSA-N	-1	0	345.807	4.187	50	30		EIEARM
Oc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001243939	563381377	/nfs/dbraw/zinc/38/13/77/563381377.db2.gz	LZVRAPDGMBUQQD-UDWIEESQSA-N	-1	0	346.415	4.349	50	30		EIEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)cc1	ZINC000001299560	563382739	/nfs/dbraw/zinc/38/27/39/563382739.db2.gz	JRCOSKUIVFZTCB-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
Cc1ccc(C(=O)CC(=Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1	ZINC000002852244	563455686	/nfs/dbraw/zinc/45/56/86/563455686.db2.gz	JFYQYZIYSNQXDL-GDNBJRDFSA-N	-1	0	349.308	4.277	50	30		EIEARM
CCCCCCCCCCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(C)=O	ZINC000095722879	563977642	/nfs/dbraw/zinc/97/76/42/563977642.db2.gz	IMYXKVFFBLITRP-HOTGVXAUSA-N	-1	0	329.506	4.282	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1	ZINC000101926340	564019692	/nfs/dbraw/zinc/01/96/92/564019692.db2.gz	KSQFNZXORCNJOA-HMMYKYKNSA-N	-1	0	347.205	4.184	50	30		EIEARM
N#CC(C(=O)CCCc1c[nH]c2ccccc12)=C([O-])c1cccs1	ZINC000103259734	564021955	/nfs/dbraw/zinc/02/19/55/564021955.db2.gz	CPMQZTICICCINP-OAHLLOKOSA-N	-1	0	336.416	4.144	50	30		EIEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C)cc2)c1	ZINC000005906924	564093339	/nfs/dbraw/zinc/09/33/39/564093339.db2.gz	LKHYXRWFUHYPJN-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
Fc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1	ZINC000005996301	564112854	/nfs/dbraw/zinc/11/28/54/564112854.db2.gz	MQFHFCCNJNMXCC-GIJQJNRQSA-N	-1	0	332.791	4.282	50	30		EIEARM
O=C([O-])c1cc(N=NC=CCc2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000888083233	1027889762	/nfs/dbraw/zinc/88/97/62/1027889762.db2.gz	BDEJUAPCICSZHR-UDUWGJAJSA-N	-1	0	345.742	4.058	50	30		EIEARM
Cc1ccc(C(=O)CC(=Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1	ZINC000083317483	1040667071	/nfs/dbraw/zinc/66/70/71/1040667071.db2.gz	JFYQYZIYSNQXDL-XNTDXEJSSA-N	-1	0	349.308	4.277	50	30		EIEARM
COc1ccc2oc(C)c(C([O-])=C(C#N)c3nc4ccccc4o3)c2c1	ZINC000054736218	214252102	/nfs/dbraw/zinc/25/21/02/214252102.db2.gz	UXFIIQYKJVCPMG-CQSZACIVSA-N	-1	0	346.342	4.381	50	30		EIEARM
COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(OC)c1	ZINC000100332897	219096593	/nfs/dbraw/zinc/09/65/93/219096593.db2.gz	MWIFPOSYNVIGJX-QGMBQPNBSA-N	-1	0	326.179	4.467	50	30		EIEARM
O=c1oc2ccccc2c([O-])c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000100391852	219098436	/nfs/dbraw/zinc/09/84/36/219098436.db2.gz	ZGYFEBKGLAJZBN-FLIBITNWSA-N	-1	0	334.158	4.091	50	30		EIEARM
N#CC(=C([O-])c1csc(-c2cccc(Cl)c2)n1)c1ccccn1	ZINC000049457192	214009383	/nfs/dbraw/zinc/00/93/83/214009383.db2.gz	WQKAKCPBCXKLSD-ZDUSSCGKSA-N	-1	0	339.807	4.349	50	30		EIEARM
N#CC(=C([O-])c1csc(-c2cccc(Cl)c2)n1)c1ccccn1	ZINC000049457191	214009309	/nfs/dbraw/zinc/00/93/09/214009309.db2.gz	WQKAKCPBCXKLSD-CYBMUJFWSA-N	-1	0	339.807	4.349	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc2ccccc21	ZINC000101374009	219125388	/nfs/dbraw/zinc/12/53/88/219125388.db2.gz	UJTJPEDJWDNDPC-ZBJSNUHESA-N	-1	0	328.375	4.030	50	30		EIEARM
N#Cc1c2[nH]c(=O)cc([O-])c2sc1SCc1ccc(Cl)cc1	ZINC000004945397	210336756	/nfs/dbraw/zinc/33/67/56/210336756.db2.gz	HQDIXYPSVFYFQU-UHFFFAOYSA-N	-1	0	348.836	4.113	50	30		EIEARM
COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])c(OC)c1	ZINC000004836950	210293289	/nfs/dbraw/zinc/29/32/89/210293289.db2.gz	VOPMRMGHUPBLPG-FMIVXFBMSA-N	-1	0	334.371	4.459	50	30		EIEARM
CC(C=Nn1c(=S)[n-]nc1COc1ccccc1)=Cc1ccco1	ZINC000005665493	519349090	/nfs/dbraw/zinc/34/90/90/519349090.db2.gz	WRJXVFMOHADUQU-HWVXOFFASA-N	-1	0	340.408	4.050	50	30		EIEARM
CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccncc2)c1	ZINC000095443399	519843646	/nfs/dbraw/zinc/84/36/46/519843646.db2.gz	DGDSDFNJAMDOHL-CQSZACIVSA-N	-1	0	346.452	4.044	50	30		EIEARM
CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000004096508	520315847	/nfs/dbraw/zinc/31/58/47/520315847.db2.gz	BGKHCLZFGPIKKU-DRSVPBQLSA-N	-1	0	336.472	4.280	50	30	endogenous,in-man	EIEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(C)c2)c1	ZINC000005906931	521313398	/nfs/dbraw/zinc/31/33/98/521313398.db2.gz	DRRBNTKLCNDBKT-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(C)cc1	ZINC000001261617	563381987	/nfs/dbraw/zinc/38/19/87/563381987.db2.gz	PAXBCTBMFWUHDH-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
Cc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)C/C2=N\[O-]	ZINC000013302271	563694232	/nfs/dbraw/zinc/69/42/32/563694232.db2.gz	REJOFOZEQWTVFH-AWZALFRUSA-N	-1	0	345.782	4.217	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2cccnc2SC2CCCC2)n1	ZINC000073087276	563994803	/nfs/dbraw/zinc/99/48/03/563994803.db2.gz	OQBWIQUUCOFLBO-CQSZACIVSA-N	-1	0	343.477	4.371	50	30		EIEARM
O=C([O-])c1ccccc1NN=Cc1ccccc1OCc1ccccc1	ZINC000011903689	563995382	/nfs/dbraw/zinc/99/53/82/563995382.db2.gz	LUBOSQIBAGDMFD-HYARGMPZSA-N	-1	0	346.386	4.410	50	30		EIEARM
CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc(C(C)C)cc1	ZINC000006190752	564081816	/nfs/dbraw/zinc/08/18/16/564081816.db2.gz	FHSCPCPBEVZFNJ-YDZHTSKRSA-N	-1	0	344.422	4.466	50	30		EIEARM
Cc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1	ZINC000005969753	564112422	/nfs/dbraw/zinc/11/24/22/564112422.db2.gz	CMQIZGPHLQDLQM-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
N#CC(=C([O-])c1csc(-c2ccccc2Cl)n1)c1ccccn1	ZINC000067601500	564166161	/nfs/dbraw/zinc/16/61/61/564166161.db2.gz	WJQKWCTXWHWMFA-LBPRGKRZSA-N	-1	0	339.807	4.349	50	30		EIEARM
CSc1ccc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000013361792	1023030391	/nfs/dbraw/zinc/03/03/91/1023030391.db2.gz	YWACBFOKTMQTMZ-YFTXEMMHSA-N	-1	0	342.416	4.157	50	30		EIEARM
C=CCc1cccc(C(C)C)c1NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000263124413	1030545811	/nfs/dbraw/zinc/54/58/11/1030545811.db2.gz	XHWROEOGSQXBEW-UHFFFAOYSA-N	-1	0	344.455	4.303	50	30		EIEARM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1	ZINC000033497604	1047388474	/nfs/dbraw/zinc/38/84/74/1047388474.db2.gz	BQHZMCMKLCBBRX-KMKOMSMNSA-N	-1	0	331.165	4.043	50	30		EIEARM
CC(C)(Oc1ccc2c(c1)CC/C(=C/c1ccccc1)C2=O)C(=O)[O-]	ZINC000098055714	219075188	/nfs/dbraw/zinc/07/51/88/219075188.db2.gz	DRLCOFZTKIRAQJ-VBKFSLOCSA-N	-1	0	336.387	4.141	50	30		EIEARM
O=C(C(C=Nc1ccc(F)cc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000100038587	219088893	/nfs/dbraw/zinc/08/88/93/219088893.db2.gz	SMJZNLXUOQEAPH-FLIBITNWSA-N	-1	0	343.301	4.197	50	30		EIEARM
CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100086729	219090754	/nfs/dbraw/zinc/09/07/54/219090754.db2.gz	PEWOESYEGLBLNR-OKTBNZSVSA-N	-1	0	348.258	4.030	50	30		EIEARM
CCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-]	ZINC000100304321	219096185	/nfs/dbraw/zinc/09/61/85/219096185.db2.gz	FAZHDESNRICLLX-UHFFFAOYSA-N	-1	0	349.537	4.034	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1	ZINC000100871537	219109957	/nfs/dbraw/zinc/10/99/57/219109957.db2.gz	WNJJXXJIXNFSPQ-SDDRHHMPSA-N	-1	0	343.370	4.317	50	30		EIEARM
COc1ccc(/C=C/C(=O)c2cc(Br)ccc2[O-])cc1	ZINC000004252503	210153620	/nfs/dbraw/zinc/15/36/20/210153620.db2.gz	PFXXEJPIWIZMBL-XBXARRHUSA-N	-1	0	333.181	4.059	50	30		EIEARM
CCc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(=O)[n-]2)cc1	ZINC000008816525	211009091	/nfs/dbraw/zinc/00/90/91/211009091.db2.gz	MURWSJGKRFKHHV-UHFFFAOYSA-N	-1	0	330.387	4.152	50	30		EIEARM
O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)cn2)c([O-])c2ccccc21	ZINC000004832136	210290853	/nfs/dbraw/zinc/29/08/53/210290853.db2.gz	AADMFEGMSUFSSY-QGMBQPNBSA-N	-1	0	327.727	4.253	50	30		EIEARM
C=CCc1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1O	ZINC000006492914	519140726	/nfs/dbraw/zinc/14/07/26/519140726.db2.gz	LTSZEEOAFOURPH-XDHOZWIPSA-N	-1	0	342.468	4.305	50	30		EIEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C)c1	ZINC000005906934	521312633	/nfs/dbraw/zinc/31/26/33/521312633.db2.gz	ZSBOXQGMGSPVHP-XDHOZWIPSA-N	-1	0	338.436	4.197	50	30		EIEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/NC(=S)Nc1ccccc1	ZINC000006514397	563570707	/nfs/dbraw/zinc/57/07/07/563570707.db2.gz	MIJLIHQCSGJBIT-CAOOACKPSA-N	-1	0	340.235	4.020	50	30		EIEARM
CN(N=Cc1cc(Cl)cc(Cl)c1[O-])C(=S)NC(C)(C)C	ZINC000013657667	563707492	/nfs/dbraw/zinc/70/74/92/563707492.db2.gz	ADJHAOREQGPZCH-FRKPEAEDSA-N	-1	0	334.272	4.049	50	30		EIEARM
CCC(CC)c1nnc(NC(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000026560642	563892176	/nfs/dbraw/zinc/89/21/76/563892176.db2.gz	NIOJCKNIBJLTRS-UHFFFAOYSA-N	-1	0	325.821	4.437	50	30		EIEARM
CCN(CC)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000057301870	563935468	/nfs/dbraw/zinc/93/54/68/563935468.db2.gz	LDFZKNFMVSCVOT-XDHOZWIPSA-N	-1	0	327.384	4.206	50	30		EIEARM
COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1F	ZINC000097016252	563966724	/nfs/dbraw/zinc/96/67/24/563966724.db2.gz	SQURGDXANNIRLY-NSHDSACASA-N	-1	0	344.342	4.073	50	30		EIEARM
O=C1Nc2ccc(Cl)cc2/C1=N/c1cc(Cl)c([O-])c(Cl)c1	ZINC000077024209	563968601	/nfs/dbraw/zinc/96/86/01/563968601.db2.gz	XOIWJYFGBIXWQS-UHFFFAOYSA-N	-1	0	341.581	4.425	50	30		EIEARM
O=C([O-])CCCCC(=NNc1ccc(Cl)cc1)c1ccccn1	ZINC000005246197	564001549	/nfs/dbraw/zinc/00/15/49/564001549.db2.gz	VSWJFOKXLPHKIE-LTGZKZEYSA-N	-1	0	331.803	4.196	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)CCc2c[nH]c3ccccc23)s1	ZINC000102763706	564020517	/nfs/dbraw/zinc/02/05/17/564020517.db2.gz	DFKFVGFXTKFCOW-OAHLLOKOSA-N	-1	0	336.416	4.062	50	30		EIEARM
O=C(C(C=Nc1ccccc1F)=C([O-])c1cccs1)C(F)(F)F	ZINC000102919853	564020931	/nfs/dbraw/zinc/02/09/31/564020931.db2.gz	ROCQGAHVMXXRHM-CMDGGOBGSA-N	-1	0	343.301	4.197	50	30		EIEARM
CCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])c1	ZINC000001924036	564090258	/nfs/dbraw/zinc/09/02/58/564090258.db2.gz	HBJBSSYSCMUQFR-YBFXNURJSA-N	-1	0	344.367	4.108	50	30		EIEARM
Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000005981879	564112614	/nfs/dbraw/zinc/11/26/14/564112614.db2.gz	PECMHLLVVKXLGN-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
O=[N+]([O-])c1cc(Cl)cc(C=NN=c2[nH]c3ccccc3s2)c1[O-]	ZINC000004646480	210237585	/nfs/dbraw/zinc/23/75/85/210237585.db2.gz	KFQNDDKHOQLKBQ-FRKPEAEDSA-N	-1	0	348.771	4.010	50	30		EIEARM
CCCCCCCCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000100071599	219089663	/nfs/dbraw/zinc/08/96/63/219089663.db2.gz	QBMLQEIGUIOGBP-UHFFFAOYSA-N	-1	0	329.481	4.159	50	30		EIEARM
O=C(C(C=Nc1ccc(F)cc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000100417076	219098213	/nfs/dbraw/zinc/09/82/13/219098213.db2.gz	SMJZNLXUOQEAPH-DHZHZOJOSA-N	-1	0	343.301	4.197	50	30		EIEARM
N#CC(=C([O-])c1ccco1)c1nc2ccc(C(F)(F)F)cc2s1	ZINC000003246117	209987237	/nfs/dbraw/zinc/98/72/37/209987237.db2.gz	RKEPASQUAUDTDT-VIFPVBQESA-N	-1	0	336.294	4.398	50	30		EIEARM
O=S(=O)([N-]c1cccc(C#Cc2cccs2)c1)c1cccs1	ZINC000023054811	212345089	/nfs/dbraw/zinc/34/50/89/212345089.db2.gz	OAWMRVBVEZVVLQ-UHFFFAOYSA-N	-1	0	345.470	4.010	50	30		EIEARM
CCc1ccc(-c2cc(-c3ccc(OC)cc3)[n-]c(=O)c2C#N)cc1	ZINC000009227210	211054179	/nfs/dbraw/zinc/05/41/79/211054179.db2.gz	GUBVZBGJFRNSFL-UHFFFAOYSA-N	-1	0	330.387	4.152	50	30		EIEARM
O=C(/C=C/c1ccc2c(c1)OCCCCO2)c1cc(Cl)ccc1[O-]	ZINC000004772878	210275330	/nfs/dbraw/zinc/27/53/30/210275330.db2.gz	PACCMRMDMSUUEP-ZZXKWVIFSA-N	-1	0	344.794	4.493	50	30		EIEARM
O=C([O-])COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1	ZINC000034863941	527617501	/nfs/dbraw/zinc/61/75/01/527617501.db2.gz	LWCCJWPDZSJHGM-GHXNOFRVSA-N	-1	0	332.355	4.199	50	30		EIEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000001294993	563382362	/nfs/dbraw/zinc/38/23/62/563382362.db2.gz	OVVHOUUQZCVMOA-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
CCc1n[n-]c(=S)n1N=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000005686827	563545920	/nfs/dbraw/zinc/54/59/20/563545920.db2.gz	HLXSRCQDDLAQRM-PJQLUOCWSA-N	-1	0	335.647	4.345	50	30		EIEARM
COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(Cl)c2Cl)c1[O-]	ZINC000000224181	563989013	/nfs/dbraw/zinc/98/90/13/563989013.db2.gz	CMYMSEPULKRVLP-REZTVBANSA-N	-1	0	341.150	4.366	50	30		EIEARM
S=c1[n-]nc(-c2ccccc2)n1N=Cc1ccc(N2CCCC2)cc1	ZINC000005927529	564057032	/nfs/dbraw/zinc/05/70/32/564057032.db2.gz	DOUULPWMYHJZPD-XSFVSMFZSA-N	-1	0	349.463	4.090	50	30		EIEARM
[O-]/N=C(/CSc1ncnc2ccccc21)c1ccc(Cl)cc1	ZINC000334162898	564079190	/nfs/dbraw/zinc/07/91/90/564079190.db2.gz	GLZIWQGYLWHDKC-HKWRFOASSA-N	-1	0	329.812	4.254	50	30		EIEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)c1	ZINC000006007359	564113415	/nfs/dbraw/zinc/11/34/15/564113415.db2.gz	JHZWYZHOGQQOFW-VCHYOVAHSA-N	-1	0	344.827	4.152	50	30		EIEARM
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1Br	ZINC000252462180	564118743	/nfs/dbraw/zinc/11/87/43/564118743.db2.gz	QLLSTRGVYWNNIZ-UHFFFAOYSA-N	-1	0	335.157	4.122	50	30		EIEARM
C(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc2ccccc2c1	ZINC000252619090	564122259	/nfs/dbraw/zinc/12/22/59/564122259.db2.gz	LMFPQJWNELJWOC-UHFFFAOYSA-N	-1	0	338.374	4.105	50	30		EIEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N	ZINC000252642946	564124729	/nfs/dbraw/zinc/12/47/29/564124729.db2.gz	ZRRFBDVLSGVNHY-UHFFFAOYSA-N	-1	0	336.420	4.187	50	30		EIEARM
COc1cccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1Cl	ZINC000596260283	1029165251	/nfs/dbraw/zinc/16/52/51/1029165251.db2.gz	HXDSLUQZERIDIA-UHFFFAOYSA-N	-1	0	347.846	4.053	50	30		EIEARM
[O-]N=C(CSc1nc2ccccc2o1)c1cc(Cl)ccc1O	ZINC000252498063	1045339234	/nfs/dbraw/zinc/33/92/34/1045339234.db2.gz	MLIHUCSAWNULCX-UHFFFAOYSA-N	-1	0	334.784	4.157	50	30		EIEARM
CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc(C(C)C)cc1	ZINC000004577533	210224549	/nfs/dbraw/zinc/22/45/49/210224549.db2.gz	FHSCPCPBEVZFNJ-QRVIBDJDSA-N	-1	0	344.422	4.466	50	30		EIEARM
O=C(C(C=Nc1ccccc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000100862352	219109431	/nfs/dbraw/zinc/10/94/31/219109431.db2.gz	VFUWSFOADKRVGX-LUAWRHEFSA-N	-1	0	325.311	4.058	50	30		EIEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)cc1C	ZINC000048473933	213941808	/nfs/dbraw/zinc/94/18/08/213941808.db2.gz	AWVOTPGXXHNWIP-UHFFFAOYSA-N	-1	0	343.448	4.071	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1	ZINC000229329331	242157442	/nfs/dbraw/zinc/15/74/42/242157442.db2.gz	WNJJXXJIXNFSPQ-IJLUTSLNSA-N	-1	0	343.370	4.317	50	30		EIEARM
Cc1csc(C(C#N)=C([O-])c2ncoc2-c2ccccc2Cl)n1	ZINC000076089957	216709769	/nfs/dbraw/zinc/70/97/69/216709769.db2.gz	JMQCGMQKZGMUAQ-NSHDSACASA-N	-1	0	343.795	4.250	50	30		EIEARM
O=C([O-])C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc2ccccc2n1	ZINC000004801671	210280164	/nfs/dbraw/zinc/28/01/64/210280164.db2.gz	KBKAOLPWNGAQBG-RVDMUPIBSA-N	-1	0	337.762	4.083	50	30		EIEARM
COc1ccc(C(N=Nc2ccccc2C(=O)[O-])c2ccccc2)cc1	ZINC000004756192	210271786	/nfs/dbraw/zinc/27/17/86/210271786.db2.gz	HLPFFWXALSZHTD-ATJXCDBQSA-N	-1	0	346.386	4.258	50	30	biogenic	EIEARM
CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1	ZINC000171960287	257955406	/nfs/dbraw/zinc/95/54/06/257955406.db2.gz	NXXFVAQZRCKNKU-VIFPVBQESA-N	-1	0	347.346	4.236	50	30		EIEARM
N#CC(=C([O-])c1coc(C2CCCCC2)n1)c1cnc2ccccc2n1	ZINC000330031602	258003090	/nfs/dbraw/zinc/00/30/90/258003090.db2.gz	AVFGUAZFRGQBPM-AWEZNQCLSA-N	-1	0	346.390	4.156	50	30		EIEARM
Cc1cc(C)cc(NN=C(CCCCC(=O)[O-])c2ccccn2)c1	ZINC000005303365	524409249	/nfs/dbraw/zinc/40/92/49/524409249.db2.gz	ZIPVGKCYOHVHLE-PYCFMQQDSA-N	-1	0	325.412	4.160	50	30		EIEARM
C=CCn1c(=O)c2c(-c3ccc(OC)cc3)csc2[n-]c1=S	ZINC000238899367	563995775	/nfs/dbraw/zinc/99/57/75/563995775.db2.gz	FZXNAHIAERXCLO-UHFFFAOYSA-N	-1	0	330.434	4.394	50	30		EIEARM
Cc1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)s1	ZINC000071803811	564111179	/nfs/dbraw/zinc/11/11/79/564111179.db2.gz	BUELBKBTAYJTJR-VIFPVBQESA-N	-1	0	333.825	4.205	50	30		EIEARM
Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)no1	ZINC000071859283	564111393	/nfs/dbraw/zinc/11/13/93/564111393.db2.gz	ATYMSRISVXXCCI-LBPRGKRZSA-N	-1	0	343.795	4.250	50	30		EIEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)c1	ZINC000005981733	564112579	/nfs/dbraw/zinc/11/25/79/564112579.db2.gz	OLQFGSARAPCWOJ-VCHYOVAHSA-N	-1	0	328.828	4.452	50	30		EIEARM
Cn1ccc2c1cccc2C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	ZINC000076020286	564114531	/nfs/dbraw/zinc/11/45/31/564114531.db2.gz	PIVRHWGLUZMBTJ-CQSZACIVSA-N	-1	0	343.308	4.082	50	30		EIEARM
Cc1cc(=O)oc2c(C=Nc3nc4ccccc4s3)c([O-])ccc12	ZINC000252615902	564122084	/nfs/dbraw/zinc/12/20/84/564122084.db2.gz	JWMZUTVSDRMLMF-UHFFFAOYSA-N	-1	0	336.372	4.167	50	30		EIEARM
CC(C)(C)c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000252617032	564122123	/nfs/dbraw/zinc/12/21/23/564122123.db2.gz	KKUIJVBQAWANCL-UHFFFAOYSA-N	-1	0	344.422	4.250	50	30		EIEARM
CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1	ZINC000171960283	564166249	/nfs/dbraw/zinc/16/62/49/564166249.db2.gz	NXXFVAQZRCKNKU-SECBINFHSA-N	-1	0	347.346	4.236	50	30		EIEARM
O=C([O-])C(=O)/C(=C/c1cccc(Cl)c1)c1ccc2ccccc2n1	ZINC000032642031	1042620286	/nfs/dbraw/zinc/62/02/86/1042620286.db2.gz	DWKGOIIGYLCWPS-RVDMUPIBSA-N	-1	0	337.762	4.083	50	30		EIEARM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-]	ZINC000004736816	210264596	/nfs/dbraw/zinc/26/45/96/210264596.db2.gz	RYSNNKOLXCMXQH-DJKKODMXSA-N	-1	0	334.803	4.342	50	30		EIEARM
Cc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1	ZINC000100612316	219102458	/nfs/dbraw/zinc/10/24/58/219102458.db2.gz	ZWUIXYWYOXPDMQ-XFXZXTDPSA-N	-1	0	339.338	4.367	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2cc(C)n(C(C)C)c2C)s1	ZINC000102763708	219229323	/nfs/dbraw/zinc/22/93/23/219229323.db2.gz	PHWJHONTVCHKJH-HNNXBMFYSA-N	-1	0	328.437	4.261	50	30		EIEARM
Cc1ccc(C([O-])=C(C#N)C(=O)c2cc(C)n(C(C)C)c2C)s1	ZINC000102763711	219229512	/nfs/dbraw/zinc/22/95/12/219229512.db2.gz	PHWJHONTVCHKJH-OAHLLOKOSA-N	-1	0	328.437	4.261	50	30		EIEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/n2c3ccccc3c3ccccc32)c1	ZINC000033837002	212966156	/nfs/dbraw/zinc/96/61/56/212966156.db2.gz	FWIZHUHKGLSDNO-UDWIEESQSA-N	-1	0	331.331	4.291	50	30		EIEARM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccccn2)c1[O-])CCCC3	ZINC000020828230	212175124	/nfs/dbraw/zinc/17/51/24/212175124.db2.gz	GQILUKOQIXISMJ-KEBDBYFISA-N	-1	0	337.335	4.071	50	30		EIEARM
COc1ccc2cc(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)ccc2c1	ZINC000005128971	210396496	/nfs/dbraw/zinc/39/64/96/210396496.db2.gz	JJYAPOYQEBPKEO-NYYWCZLTSA-N	-1	0	332.355	4.443	50	30		EIEARM
Cc1cc(NN=Cc2c[nH]c3c2cccc3C(=O)[O-])nc2ccccc12	ZINC000004812649	210282682	/nfs/dbraw/zinc/28/26/82/210282682.db2.gz	DZJCOTYVMCFFMT-SSDVNMTOSA-N	-1	0	344.374	4.169	50	30		EIEARM
Cc1sc(N=NCc2ccccc2C(=O)[O-])nc1-c1ccccc1	ZINC000004749600	210268430	/nfs/dbraw/zinc/26/84/30/210268430.db2.gz	JWUAANNBWIHIPL-ODLFYWEKSA-N	-1	0	337.404	4.263	50	30		EIEARM
CCCCCCCCCC(=O)Nc1c(O)[nH]c2ccccc2c1=O	ZINC000002273748	258049321	/nfs/dbraw/zinc/04/93/21/258049321.db2.gz	VFBBFPLBXGPIJN-UHFFFAOYSA-N	-1	0	330.428	4.313	50	30		EIEARM
O=C([O-])c1ccccc1NC1=C(Cl)C(=O)C[C@H](c2ccccc2)C1	ZINC000005224597	563523194	/nfs/dbraw/zinc/52/31/94/563523194.db2.gz	DUDBSNUOWCTOLM-CYBMUJFWSA-N	-1	0	341.794	4.394	50	30		EIEARM
N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(C(F)(F)F)c1	ZINC000058284471	563941757	/nfs/dbraw/zinc/94/17/57/563941757.db2.gz	YVSAHAVBLJNSDB-HNNXBMFYSA-N	-1	0	346.308	4.185	50	30		EIEARM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000096409096	564147535	/nfs/dbraw/zinc/14/75/35/564147535.db2.gz	MMRMQMYQSWDBCE-UHFFFAOYSA-N	-1	0	343.754	4.050	50	30		EIEARM
COc1ccc(-c2csc(C(C#N)=C([O-])c3cncc(C)c3)n2)cc1	ZINC000132097588	564153374	/nfs/dbraw/zinc/15/33/74/564153374.db2.gz	DPJSRMUFODSYAF-INIZCTEOSA-N	-1	0	349.415	4.012	50	30		EIEARM
O=C([O-])c1ccc(/C=C\C(=O)c2cc(Br)ccc2F)cc1	ZINC000098059413	219076187	/nfs/dbraw/zinc/07/61/87/219076187.db2.gz	DRHJGZXJHPKJAY-BAQGIRSFSA-N	-1	0	349.155	4.183	50	30		EIEARM
COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1[O-]	ZINC000036059997	213058942	/nfs/dbraw/zinc/05/89/42/213058942.db2.gz	VHKBUTUJESXEFG-REZTVBANSA-N	-1	0	341.150	4.366	50	30		EIEARM
Cc1ccc(C)c(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)c1	ZINC000033614385	212956705	/nfs/dbraw/zinc/95/67/05/212956705.db2.gz	CEBAYKKWVFHHQV-SFQUDFHCSA-N	-1	0	331.371	4.046	50	30		EIEARM
Cc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1C	ZINC000005546591	210486926	/nfs/dbraw/zinc/48/69/26/210486926.db2.gz	MHVMNFWYDDMMHO-CAOOACKPSA-N	-1	0	349.184	4.430	50	30		EIEARM
Cc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c(C)c1	ZINC000005542264	210485205	/nfs/dbraw/zinc/48/52/05/210485205.db2.gz	GVTFXGJXSCHTRN-CAOOACKPSA-N	-1	0	349.184	4.430	50	30		EIEARM
O=C([O-])c1ccc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)cc1	ZINC000154092671	224201760	/nfs/dbraw/zinc/20/17/60/224201760.db2.gz	UJAMUDYZGLIUTA-GHXNOFRVSA-N	-1	0	347.292	4.011	50	30		EIEARM
CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027639032	520295000	/nfs/dbraw/zinc/29/50/00/520295000.db2.gz	MYHXHCUNDDAEOZ-HWZGDPEYSA-N	-1	0	334.456	4.056	50	30	in-vitro	EIEARM
N#CC(=C([O-])c1ccccc1C(F)(F)F)c1nc2ccccc2o1	ZINC000058282897	563941693	/nfs/dbraw/zinc/94/16/93/563941693.db2.gz	BTWKYJGXVQWVIM-NSHDSACASA-N	-1	0	330.265	4.337	50	30		EIEARM
C=CC[C@@H]1c2cccc(C(=O)[O-])c2C(=O)N1c1ccc(Cl)cc1	ZINC000000209281	563988475	/nfs/dbraw/zinc/98/84/75/563988475.db2.gz	NVYPJEQSYTXDEQ-OAHLLOKOSA-N	-1	0	327.767	4.316	50	30		EIEARM
O=C([O-])c1ccc(/N=C\c2c3c(ccc2O)oc2c3CCCC2)cc1	ZINC000005196774	564000321	/nfs/dbraw/zinc/00/03/21/564000321.db2.gz	LRXFKEUZIPSQTJ-NHDPSOOVSA-N	-1	0	335.359	4.466	50	30		EIEARM
O=C(c1ccccc1)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000252461048	564118705	/nfs/dbraw/zinc/11/87/05/564118705.db2.gz	KERUSDMZSDYKOL-UHFFFAOYSA-N	-1	0	346.342	4.282	50	30		EIEARM
C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C(=O)[O-])c1	ZINC000012659047	564135440	/nfs/dbraw/zinc/13/54/40/564135440.db2.gz	ZYKBTLRGDYIPLM-VXPUYCOJSA-N	-1	0	336.416	4.333	50	30		EIEARM