smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccccc1)c1c(Cl)cccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000004151116	204028438	/nfs/dbraw/zinc/02/84/38/204028438.db2.gz	BPFTWVSLRHBONO-UHFFFAOYSA-N	-1	0	385.872	4.513	50	10		GJCARM
O=C([O-])Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21	ZINC000004677786	204062701	/nfs/dbraw/zinc/06/27/01/204062701.db2.gz	OJSYWRGDFXYNIG-KGENOOAVSA-N	-1	0	394.430	4.945	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1O	ZINC000100354148	211385465	/nfs/dbraw/zinc/38/54/65/211385465.db2.gz	MMXLXKHLGDUTHT-KGNHYALCSA-N	-1	0	391.456	4.699	50	10		GJCARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000095471500	211246278	/nfs/dbraw/zinc/24/62/78/211246278.db2.gz	SMDLGWBZHFXJHF-WQRHYEAKSA-N	-1	0	378.432	4.547	50	10		GJCARM
Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	ZINC000096581734	136187373	/nfs/dbraw/zinc/18/73/73/136187373.db2.gz	NQTJPXHZUOPMMW-GDNBJRDFSA-N	-1	0	399.244	4.573	50	10		GJCARM
N=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2Sc3ccccc3N21	ZINC000005370431	570566048	/nfs/dbraw/zinc/56/60/48/570566048.db2.gz	LRNKARPLXHCGOQ-KDTVWFOQSA-N	-1	0	390.251	4.568	50	10		GJCARM
Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	ZINC000017160440	210206488	/nfs/dbraw/zinc/20/64/88/210206488.db2.gz	WDSBTCIKRCVGIR-UVTDQMKNSA-N	-1	0	395.871	4.503	50	10		GJCARM
CCCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000004690753	204063958	/nfs/dbraw/zinc/06/39/58/204063958.db2.gz	XGYMFGPWWSGXAB-SFQUDFHCSA-N	-1	0	399.493	4.579	50	10		GJCARM
O=C1C=CC(=NNc2cccc3cccc(S(=O)(=O)[O-])c32)c2cccnc21	ZINC000005716755	204148729	/nfs/dbraw/zinc/14/87/29/204148729.db2.gz	GSKZELLAORVLLX-DQRAZIAOSA-N	-1	0	379.397	4.756	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000100511038	211386733	/nfs/dbraw/zinc/38/67/33/211386733.db2.gz	AUFGRUQDTXDETL-CCWVLBSLSA-N	-1	0	375.457	4.994	50	10		GJCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1c(Cl)cccc1Cl	ZINC000016995801	136202118	/nfs/dbraw/zinc/20/21/18/136202118.db2.gz	NARZMWRGRWQJPM-FMIVXFBMSA-N	-1	0	377.252	4.665	50	10		GJCARM
CCc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1	ZINC000004742763	570401521	/nfs/dbraw/zinc/40/15/21/570401521.db2.gz	VRAWXDOQTYTIRY-UHFFFAOYSA-N	-1	0	378.906	4.827	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000008385712	570530588	/nfs/dbraw/zinc/53/05/88/570530588.db2.gz	ZKXQBZWZTQJSIA-CCWVLBSLSA-N	-1	0	375.457	4.994	50	10		GJCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000008766936	570540959	/nfs/dbraw/zinc/54/09/59/570540959.db2.gz	ZFKNCNVXZQVOLD-BOPFTXTBSA-N	-1	0	394.333	4.732	50	10		GJCARM
Cc1ccc(S(=O)(=O)Nc2c(Cl)c(Cl)c([O-])c3ccccc32)cc1	ZINC000017779290	570712526	/nfs/dbraw/zinc/71/25/26/570712526.db2.gz	OWGXKQOZTOWCSV-UHFFFAOYSA-N	-1	0	382.268	4.961	50	10		GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000101150132	570814367	/nfs/dbraw/zinc/81/43/67/570814367.db2.gz	ZFKUGOIEGCCEFS-NTEUORMPSA-N	-1	0	391.214	4.620	50	10		GJCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000101346664	570821057	/nfs/dbraw/zinc/82/10/57/570821057.db2.gz	FRHGADDKVJBXKL-ZROIWOOFSA-N	-1	0	391.214	4.620	50	10		GJCARM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	ZINC000239274960	570827093	/nfs/dbraw/zinc/82/70/93/570827093.db2.gz	AZRBPQNKAPCMOS-SLEIARFRSA-N	-1	0	387.454	5.418	50	10		GJCARM
CC(/C=C1/SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O)=C/c1ccccc1	ZINC000102454442	570849598	/nfs/dbraw/zinc/84/95/98/570849598.db2.gz	BPNJKEMCBOUUAM-NOCJZBKASA-N	-1	0	395.505	4.660	50	10		GJCARM
C/C(=C1/SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O)c1ccc(Cl)cc1	ZINC000002700337	209378155	/nfs/dbraw/zinc/37/81/55/209378155.db2.gz	OWSDOFIYMYHWPL-GDNBJRDFSA-N	-1	0	389.885	4.834	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000004567264	204054664	/nfs/dbraw/zinc/05/46/64/204054664.db2.gz	NXEXHRSVNFRUDK-NEOBQEPSSA-N	-1	0	381.478	4.737	50	10		GJCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000009350831	204308438	/nfs/dbraw/zinc/30/84/38/204308438.db2.gz	JLQHQRIIWKBGSS-PDGQHHTCSA-N	-1	0	390.370	4.588	50	10		GJCARM
CCN(CC)c1ccc(/C=C(\CC(=O)[O-])c2nnc(-c3ccc(C)cc3)o2)cc1	ZINC000058157853	205165954	/nfs/dbraw/zinc/16/59/54/205165954.db2.gz	OMAOIPHQSURZTF-XMHGGMMESA-N	-1	0	391.471	4.907	50	10		GJCARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000100535530	570386279	/nfs/dbraw/zinc/38/62/79/570386279.db2.gz	AEEDXFZQPFBBDE-MHWRWJLKSA-N	-1	0	384.823	4.584	50	10		GJCARM
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000004680357	570392667	/nfs/dbraw/zinc/39/26/67/570392667.db2.gz	TWIBSQIGQWSIFV-GZTJUZNOSA-N	-1	0	399.493	4.579	50	10		GJCARM
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C(=O)c2ccccc2)c1	ZINC000170618141	570875495	/nfs/dbraw/zinc/87/54/95/570875495.db2.gz	LILZDGMNIAUMSA-UHFFFAOYSA-N	-1	0	385.872	4.680	50	10		GJCARM
COc1ccc(-c2csc(Sc3c(C)[n-]n(-c4ccccc4)c3=O)n2)cc1	ZINC000000646865	209254818	/nfs/dbraw/zinc/25/48/18/209254818.db2.gz	NQPGWICUYJAASN-SFHVURJKSA-N	-1	0	395.509	4.702	50	10		GJCARM
O=C([O-])CCc1ccc(-c2cccs2)n1CCOc1ccccc1Cl	ZINC000002870397	203970144	/nfs/dbraw/zinc/97/01/44/203970144.db2.gz	DJLOEXZQMGRLLW-UHFFFAOYSA-N	-1	0	375.877	4.966	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1Cl	ZINC000004818005	204077639	/nfs/dbraw/zinc/07/76/39/204077639.db2.gz	SCRKSXXFCOXJCD-UHFFFAOYSA-N	-1	0	385.297	4.918	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000004567265	204053994	/nfs/dbraw/zinc/05/39/94/204053994.db2.gz	RDOICLHGZLWRBO-YMGXUNRSSA-N	-1	0	381.478	4.737	50	10		GJCARM
O=C([O-])c1c(Nc2ccc(Cl)cc2)sc2c1C(=O)c1ccccc1C2=O	ZINC000072194227	211084047	/nfs/dbraw/zinc/08/40/47/211084047.db2.gz	ZIBFSOHYYUKGNW-UHFFFAOYSA-N	-1	0	383.812	4.619	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000004158671	204029818	/nfs/dbraw/zinc/02/98/18/204029818.db2.gz	BPNJKEMCBOUUAM-WYAGSHODSA-N	-1	0	395.505	4.660	50	10		GJCARM
COc1ccc(N=Nc2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000097963994	205596736	/nfs/dbraw/zinc/59/67/36/205596736.db2.gz	ISUQFWQYQRWIEV-VQERKYHCSA-N	-1	0	385.427	4.620	50	10		GJCARM
CCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1	ZINC000004725328	206215192	/nfs/dbraw/zinc/21/51/92/206215192.db2.gz	PWSCPFNCUVQKJB-FGECJLSQSA-N	-1	0	397.287	4.508	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1	ZINC000100345514	211386921	/nfs/dbraw/zinc/38/69/21/211386921.db2.gz	PNRJHXQNMQTJEC-KGNHYALCSA-N	-1	0	391.456	4.699	50	10		GJCARM
O=c1c(C=Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000100329280	211386663	/nfs/dbraw/zinc/38/66/63/211386663.db2.gz	AYOKRMWMDPIXOS-UVTDQMKNSA-N	-1	0	399.294	4.966	50	10		GJCARM
Cc1[nH]c2ccccc2c1[C@@H](c1cc(Cl)cc(Cl)c1[O-])N1CCOCC1	ZINC000019939161	210308488	/nfs/dbraw/zinc/30/84/88/210308488.db2.gz	QUVZHOBLJFFCEX-LJQANCHMSA-N	-1	0	391.298	4.910	50	10		GJCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1	ZINC000001173012	570253657	/nfs/dbraw/zinc/25/36/57/570253657.db2.gz	WYMGWKSXJRAELN-XSFVSMFZSA-N	-1	0	385.423	4.601	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccccc2C(=O)[O-])C1=O	ZINC000108481745	570312989	/nfs/dbraw/zinc/31/29/89/570312989.db2.gz	PGVKLXHEOWCSIG-QKIOLIMFSA-N	-1	0	381.478	4.737	50	10		GJCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1	ZINC000023223764	570350736	/nfs/dbraw/zinc/35/07/36/570350736.db2.gz	SXXFQZCGHMWNGW-XSFVSMFZSA-N	-1	0	385.423	4.601	50	10		GJCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc2ccccc12	ZINC000002281172	209355291	/nfs/dbraw/zinc/35/52/91/209355291.db2.gz	BGARQKPZNYRCIL-LDADJPATSA-N	-1	0	376.412	4.651	50	10		GJCARM
CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)SC1=S	ZINC000004819344	204079236	/nfs/dbraw/zinc/07/92/36/204079236.db2.gz	HWLVJGKTDROHEI-RIYZIHGNSA-N	-1	0	393.873	4.519	50	10		GJCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4)c3=O)n2)cc1	ZINC000100511027	211386260	/nfs/dbraw/zinc/38/62/60/211386260.db2.gz	MVJINLXEZQOTHZ-KGNHYALCSA-N	-1	0	391.456	4.694	50	10		GJCARM
Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)s1	ZINC000020395309	136202528	/nfs/dbraw/zinc/20/25/28/136202528.db2.gz	HUOYRIMDXKBRKL-JYRVWZFOSA-N	-1	0	376.890	4.690	50	10		GJCARM
O=c1[nH]nc2[n-]c3c(c(-c4ccc(Cl)c(Cl)c4)c1-2)C(=O)c1ccccc1-3	ZINC000018196145	210216629	/nfs/dbraw/zinc/21/66/29/210216629.db2.gz	UXWRNRKZKUYURP-UHFFFAOYSA-N	-1	0	382.206	4.849	50	10		GJCARM
Cc1[nH]c2ccc(C)cc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000013810262	210092782	/nfs/dbraw/zinc/09/27/82/210092782.db2.gz	RICKJXXBHBSEFY-YVLHZVERSA-N	-1	0	393.830	4.945	50	10		GJCARM
O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000013490623	210063580	/nfs/dbraw/zinc/06/35/80/210063580.db2.gz	JATJAPWMNULNGP-UHFFFAOYSA-N	-1	0	387.460	4.872	50	10		GJCARM
CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000004704794	204066308	/nfs/dbraw/zinc/06/63/08/204066308.db2.gz	FLVYRLAKLKZFTO-NVNXTCNLSA-N	-1	0	391.832	4.743	50	10		GJCARM
Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000008994260	204296020	/nfs/dbraw/zinc/29/60/20/204296020.db2.gz	XTNJBRGCUWBAPR-MHWRWJLKSA-N	-1	0	379.803	4.636	50	10		GJCARM
Cc1cccc(C)c1Oc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1	ZINC000009499257	204311923	/nfs/dbraw/zinc/31/19/23/204311923.db2.gz	UHAHXBCGUXXYJL-UHFFFAOYSA-N	-1	0	387.391	4.595	50	10		GJCARM
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000002553828	570290702	/nfs/dbraw/zinc/29/07/02/570290702.db2.gz	HVWOPZUDFYNAFC-DTQAZKPQSA-N	-1	0	391.558	4.830	50	10		GJCARM
Cc1c(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C	ZINC000033579892	570380903	/nfs/dbraw/zinc/38/09/03/570380903.db2.gz	QPMJXHFLSUQFFN-GZTJUZNOSA-N	-1	0	393.830	4.647	50	10		GJCARM
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000005442900	570594797	/nfs/dbraw/zinc/59/47/97/570594797.db2.gz	GAGRGCXCIHIAGE-DEDYPNTBSA-N	-1	0	386.407	4.759	50	10		GJCARM
Cc1c(Cl)cccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000004815279	571048400	/nfs/dbraw/zinc/04/84/00/571048400.db2.gz	CAMSLWYTMDDOQJ-UHFFFAOYSA-N	-1	0	396.874	4.773	50	10		GJCARM
O=[N+]([O-])c1ccc([O-])c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1	ZINC000015016299	210143912	/nfs/dbraw/zinc/14/39/12/210143912.db2.gz	QBXJFNBAXULQBL-OXQOHEQNSA-N	-1	0	393.424	4.604	50	10		GJCARM
O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S	ZINC000001916921	209342322	/nfs/dbraw/zinc/34/23/22/209342322.db2.gz	PKMHMWGVNCYMTB-LGMDPLHJSA-N	-1	0	385.510	4.686	50	10		GJCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1	ZINC000100510859	211386933	/nfs/dbraw/zinc/38/69/33/211386933.db2.gz	UIQLVASACOZBNN-LDADJPATSA-N	-1	0	390.370	4.590	50	10		GJCARM
CCc1cccc2c(C=C3C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c[nH]c21	ZINC000020232958	210324920	/nfs/dbraw/zinc/32/49/20/210324920.db2.gz	HSZIAZWTYVOPAX-WQRHYEAKSA-N	-1	0	389.480	4.710	50	10		GJCARM
COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000033316790	570406330	/nfs/dbraw/zinc/40/63/30/570406330.db2.gz	DZWCAVIQLACTJD-JYRVWZFOSA-N	-1	0	391.210	4.509	50	10		GJCARM
CC(=O)Nc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1	ZINC000000920208	570725914	/nfs/dbraw/zinc/72/59/14/570725914.db2.gz	FGAABICWPXWMPP-UHFFFAOYSA-N	-1	0	382.847	4.773	50	10		GJCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000000982325	570743288	/nfs/dbraw/zinc/74/32/88/570743288.db2.gz	GQZDYKMVXCYNQZ-UKTHLTGXSA-N	-1	0	391.210	4.509	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccccc2Cl)cs1)c1cccc(Cl)c1	ZINC000012526124	570830615	/nfs/dbraw/zinc/83/06/15/570830615.db2.gz	NRCRKXNDVOGRSO-UHFFFAOYSA-N	-1	0	385.297	4.918	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2cccs2)cs1)c1ccc(C(F)(F)F)cc1	ZINC000007505305	570860212	/nfs/dbraw/zinc/86/02/12/570860212.db2.gz	BJZMFCWCDLKEFN-UHFFFAOYSA-N	-1	0	390.433	4.691	50	10		GJCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(O)c1	ZINC000002483138	209366724	/nfs/dbraw/zinc/36/67/24/209366724.db2.gz	QCNISVWVLREULS-UHFFFAOYSA-N	-1	0	386.245	4.630	50	10		GJCARM
CCOC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1	ZINC000002257603	209352144	/nfs/dbraw/zinc/35/21/44/209352144.db2.gz	AHXMKQIYGJKAHU-UHFFFAOYSA-N	-1	0	377.440	4.647	50	10		GJCARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1	ZINC000000723606	209262672	/nfs/dbraw/zinc/26/26/72/209262672.db2.gz	WZTIKNRSYKDRQF-UHFFFAOYSA-N	-1	0	385.872	4.680	50	10		GJCARM
O=C([O-])CC/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1	ZINC000033732509	209243452	/nfs/dbraw/zinc/24/34/52/209243452.db2.gz	UWKSDRKFNGVQJG-ICFOKQHNSA-N	-1	0	394.496	4.538	50	10		GJCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccsc1	ZINC000095474556	211247384	/nfs/dbraw/zinc/24/73/84/211247384.db2.gz	HTGKJXMLQVCOFG-UHFFFAOYSA-N	-1	0	381.413	4.757	50	10		GJCARM
O=C([O-])CC/C(=C1\C=C(c2ccc(Cl)cc2)NC1=O)c1ccc(Cl)cc1	ZINC000002496848	570535853	/nfs/dbraw/zinc/53/58/53/570535853.db2.gz	BTXITMQNZMNSAE-MSUUIHNZSA-N	-1	0	388.250	4.783	50	10		GJCARM
CCCC1CCC(c2ccc(C(=O)N[C@H](CCSC)C(=O)[O-])cc2)CC1	ZINC000003895998	570818901	/nfs/dbraw/zinc/81/89/01/570818901.db2.gz	NXAKRNSBJNPQEU-LADRWXRNSA-N	-1	0	377.550	4.697	50	10		GJCARM
COc1ccc(S(=O)(=O)[O-])cc1/N=N/c1ccc(N(C)C)c2ccccc12	ZINC000005140500	209574905	/nfs/dbraw/zinc/57/49/05/209574905.db2.gz	YSWLWOIMNIOBLV-QZQOTICOSA-N	-1	0	385.445	4.577	50	10		GJCARM
CC(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000001766428	209338982	/nfs/dbraw/zinc/33/89/82/209338982.db2.gz	AKLYTCNHRZHZKT-FOWTUZBSSA-N	-1	0	377.531	4.656	50	10		GJCARM
Cc1cccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)c1C	ZINC000000820915	209269412	/nfs/dbraw/zinc/26/94/12/209269412.db2.gz	BFIFBLMKFOYJPP-UHFFFAOYSA-N	-1	0	387.391	4.595	50	10		GJCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@@H]21	ZINC000239274958	209213569	/nfs/dbraw/zinc/21/35/69/209213569.db2.gz	AZRBPQNKAPCMOS-BJTMNOAGSA-N	-1	0	387.454	5.418	50	10		GJCARM
COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000037613810	209195246	/nfs/dbraw/zinc/19/52/46/209195246.db2.gz	QYZDSMOCENWUBF-GLJUWKHASA-N	-1	0	383.831	4.651	50	10		GJCARM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(C(=O)[O-])c2)o1	ZINC000033332702	206097721	/nfs/dbraw/zinc/09/77/21/206097721.db2.gz	AATWKLVUXYLCNY-MOSHPQCFSA-N	-1	0	386.407	4.759	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1	ZINC000001514688	570264732	/nfs/dbraw/zinc/26/47/32/570264732.db2.gz	SOKBEIJTOWLKLI-UHFFFAOYSA-N	-1	0	385.297	4.918	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1C	ZINC000102572298	570290175	/nfs/dbraw/zinc/29/01/75/570290175.db2.gz	WNZJNELWQJJVAW-CCWVLBSLSA-N	-1	0	375.457	4.994	50	10		GJCARM
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1O	ZINC000005174099	570492534	/nfs/dbraw/zinc/49/25/34/570492534.db2.gz	KDKDRRKMEYAJLJ-NBVRZTHBSA-N	-1	0	384.391	4.772	50	10		GJCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=Cc1c[nH]c2ccccc12	ZINC000017029224	210200705	/nfs/dbraw/zinc/20/07/05/210200705.db2.gz	WXLHNZZHYWXAIN-PDGQHHTCSA-N	-1	0	381.391	4.828	50	10		GJCARM
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)c1	ZINC000013477013	210063028	/nfs/dbraw/zinc/06/30/28/210063028.db2.gz	GEYUYMIKXNQPKI-LDADJPATSA-N	-1	0	391.404	4.886	50	10		GJCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc2ccccc12	ZINC000001245620	209317561	/nfs/dbraw/zinc/31/75/61/209317561.db2.gz	CENLOHOENZSIND-FOWTUZBSSA-N	-1	0	376.412	4.651	50	10		GJCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c2ccccc21	ZINC000005100834	204111622	/nfs/dbraw/zinc/11/16/22/204111622.db2.gz	ONLQFJFHTDPHBC-SFQUDFHCSA-N	-1	0	389.480	4.641	50	10		GJCARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1	ZINC000100500482	211385595	/nfs/dbraw/zinc/38/55/95/211385595.db2.gz	DNIQNKNDBXKBKI-PDGQHHTCSA-N	-1	0	389.484	4.540	50	10		GJCARM
O=[N+]([O-])c1ccc([C@@H]2Nc3c([O-])cc(Cl)c([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000035146735	570242105	/nfs/dbraw/zinc/24/21/05/570242105.db2.gz	WZGYQFWANGEGHU-OZVIIMIRSA-N	-1	0	387.779	4.689	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000103744422	570296616	/nfs/dbraw/zinc/29/66/16/570296616.db2.gz	ZKXQBZWZTQJSIA-KGNHYALCSA-N	-1	0	375.457	4.994	50	10		GJCARM
CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000002835078	209390467	/nfs/dbraw/zinc/39/04/67/209390467.db2.gz	RLYQKPOQGNTSSK-WJDWOHSUSA-N	-1	0	383.494	4.661	50	10		GJCARM
Cc1oc(C(=O)[O-])cc1COc1ccc2c(c1)oc(=O)cc2-c1ccccc1	ZINC000004028242	209231460	/nfs/dbraw/zinc/23/14/60/209231460.db2.gz	HEGBJLYFFFHNEM-UHFFFAOYSA-N	-1	0	376.364	4.639	50	10	biogenic	GJCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1C	ZINC000008385715	204274630	/nfs/dbraw/zinc/27/46/30/204274630.db2.gz	WNZJNELWQJJVAW-KGNHYALCSA-N	-1	0	375.457	4.994	50	10		GJCARM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)SC2=S)c1	ZINC000048149722	570219436	/nfs/dbraw/zinc/21/94/36/570219436.db2.gz	BMVGSTUNHWLODM-XFFZJAGNSA-N	-1	0	381.887	4.506	50	10		GJCARM
COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1	ZINC000101956178	570286347	/nfs/dbraw/zinc/28/63/47/570286347.db2.gz	NFQIZAIUORKUBD-QHRIQVFBSA-N	-1	0	385.847	4.882	50	10		GJCARM
CCC(=S)/C=C1\Sc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-]	ZINC000003082364	570502370	/nfs/dbraw/zinc/50/23/70/570502370.db2.gz	YZQXOUNUSPZCHV-ATVHPVEESA-N	-1	0	393.555	4.651	50	10		GJCARM
COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000006640517	570513457	/nfs/dbraw/zinc/51/34/57/570513457.db2.gz	DFZANHVSCRYEGL-VKJFTORMSA-N	-1	0	383.831	4.651	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2cccc(F)c2)cs1)c1ccc(F)cc1Cl	ZINC000170593417	570851744	/nfs/dbraw/zinc/85/17/44/570851744.db2.gz	AFQKUSGKVCIACB-UHFFFAOYSA-N	-1	0	386.832	4.543	50	10		GJCARM
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000013895294	210095190	/nfs/dbraw/zinc/09/51/90/210095190.db2.gz	JHTAALUEVLIBMF-UNOMPAQXSA-N	-1	0	390.370	4.590	50	10		GJCARM
COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)c1	ZINC000013152840	210053153	/nfs/dbraw/zinc/05/31/53/210053153.db2.gz	NFQIZAIUORKUBD-VLXJIEOASA-N	-1	0	385.847	4.882	50	10		GJCARM
COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)[O-])c(N)c32)cc1	ZINC000002207828	209349905	/nfs/dbraw/zinc/34/99/05/209349905.db2.gz	LIUZCZSWHHTIKD-UHFFFAOYSA-N	-1	0	376.437	4.919	50	10		GJCARM
Cc1oc(C(=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C	ZINC000001140219	209226522	/nfs/dbraw/zinc/22/65/22/209226522.db2.gz	XQJGEJVSJJJWJI-UHFFFAOYSA-N	-1	0	390.391	4.947	50	10	biogenic	GJCARM
O=C([O-])CC/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1	ZINC000005131374	204114164	/nfs/dbraw/zinc/11/41/64/204114164.db2.gz	UWKSDRKFNGVQJG-BMRADRMJSA-N	-1	0	394.496	4.538	50	10		GJCARM
Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1C	ZINC000001233019	570926683	/nfs/dbraw/zinc/92/66/83/570926683.db2.gz	BHPAHHGMQRFMGC-UHFFFAOYSA-N	-1	0	387.391	4.595	50	10		GJCARM
CCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002921282	209398036	/nfs/dbraw/zinc/39/80/36/209398036.db2.gz	VOJWRVMYLOFNKS-HXUWFJFHSA-N	-1	0	393.443	4.588	50	10		GJCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@@H]21	ZINC000239274959	209212900	/nfs/dbraw/zinc/21/29/00/209212900.db2.gz	AZRBPQNKAPCMOS-QKZKXAEISA-N	-1	0	387.454	5.418	50	10		GJCARM
O=C1C(=NNc2c(O)ccc3ccccc32)C=C(Cl)C=C1S(=O)(=O)[O-]	ZINC000006118202	204165738	/nfs/dbraw/zinc/16/57/38/204165738.db2.gz	RCGWGIMRUCLVQX-VHEBQXMUSA-N	-1	0	378.793	4.567	50	10		GJCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccs1	ZINC000095479274	211248283	/nfs/dbraw/zinc/24/82/83/211248283.db2.gz	YDJNMJNDJGTAJA-UHFFFAOYSA-N	-1	0	381.413	4.757	50	10		GJCARM
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000111478306	570217117	/nfs/dbraw/zinc/21/71/17/570217117.db2.gz	OXEWPAVNHQWPFP-QWQRMKEZSA-N	-1	0	383.831	4.651	50	10		GJCARM
CC(C)Cc1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCC1	ZINC000085877129	570263391	/nfs/dbraw/zinc/26/33/91/570263391.db2.gz	PVELVMJPGMZDQE-UHFFFAOYSA-N	-1	0	395.459	4.739	50	10	biogenic	GJCARM
CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000004128589	570358849	/nfs/dbraw/zinc/35/88/49/570358849.db2.gz	BPNJKEMCBOUUAM-SNMXRTMYSA-N	-1	0	395.505	4.660	50	10		GJCARM
Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000004649649	570389425	/nfs/dbraw/zinc/38/94/25/570389425.db2.gz	FMQDIOMTPJXTJK-OCEACIFDSA-N	-1	0	398.348	4.706	50	10		GJCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1Cl	ZINC000034234840	570600095	/nfs/dbraw/zinc/60/00/95/570600095.db2.gz	VACFMHSDJXTPRC-SDQBBNPISA-N	-1	0	391.210	4.514	50	10		GJCARM
COc1ccc2c3ccc(OCc4ccc(C(=O)[O-])cc4)c(C)c3oc(=O)c2c1	ZINC000002106989	570948648	/nfs/dbraw/zinc/94/86/48/570948648.db2.gz	RYAFDNHYHGHKLI-UHFFFAOYSA-N	-1	0	390.391	4.540	50	10	biogenic	GJCARM
CCn1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c2ccccc21	ZINC000001295109	570956114	/nfs/dbraw/zinc/95/61/14/570956114.db2.gz	LRPLWHGAIIZYKD-PDGQHHTCSA-N	-1	0	387.439	4.785	50	10		GJCARM
Cc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000252484723	570969442	/nfs/dbraw/zinc/96/94/42/570969442.db2.gz	GFRNFJWNROOJRK-UHFFFAOYSA-N	-1	0	385.872	4.680	50	10		GJCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(Sc2ccccc2)o1	ZINC000001210718	209314784	/nfs/dbraw/zinc/31/47/84/209314784.db2.gz	XQUMFWWBIGLTJU-GHRIWEEISA-N	-1	0	390.420	4.938	50	10		GJCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(N2CCOCC2)cc1	ZINC000006177560	204169931	/nfs/dbraw/zinc/16/99/31/204169931.db2.gz	HPKAXVQIWMGCBV-GHVJWSGMSA-N	-1	0	397.866	4.792	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000012342794	204399026	/nfs/dbraw/zinc/39/90/26/204399026.db2.gz	BPNJKEMCBOUUAM-HMJQVKMSSA-N	-1	0	395.505	4.660	50	10		GJCARM
Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000012625411	570388233	/nfs/dbraw/zinc/38/82/33/570388233.db2.gz	FZXKZVJTFWWGLD-YVLHZVERSA-N	-1	0	394.477	4.580	50	10		GJCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c2ccccc21	ZINC000005100653	570417371	/nfs/dbraw/zinc/41/73/71/570417371.db2.gz	WQIFZZMYUWGTIJ-LDADJPATSA-N	-1	0	389.480	4.641	50	10		GJCARM
COC(=O)c1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1	ZINC000003634706	209451271	/nfs/dbraw/zinc/45/12/71/209451271.db2.gz	HOOAMYITOZBCCJ-UHFFFAOYSA-N	-1	0	383.831	4.602	50	10		GJCARM
CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001307205	209319175	/nfs/dbraw/zinc/31/91/75/209319175.db2.gz	VXZAZQDSIRDWLB-QFIPXVFZSA-N	-1	0	386.411	4.704	50	10		GJCARM
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004691627	204063949	/nfs/dbraw/zinc/06/39/49/204063949.db2.gz	OXEWPAVNHQWPFP-LBTNJELSSA-N	-1	0	383.831	4.651	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1F	ZINC000034257554	210656580	/nfs/dbraw/zinc/65/65/80/210656580.db2.gz	GRRCVZVORVCCDH-UHFFFAOYSA-N	-1	0	386.832	4.543	50	10		GJCARM
O=[N+]([O-])c1ccc([C@@H]2Nc3c([O-])cc(Cl)c([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000035146737	570241952	/nfs/dbraw/zinc/24/19/52/570241952.db2.gz	WZGYQFWANGEGHU-MKBNYLNASA-N	-1	0	387.779	4.689	50	10		GJCARM
CN(C)c1ccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1	ZINC000021953757	570300015	/nfs/dbraw/zinc/30/00/15/570300015.db2.gz	BOMWVNAYFIBSPG-XVNBXDOJSA-N	-1	0	397.272	4.932	50	10		GJCARM
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000000974437	570741195	/nfs/dbraw/zinc/74/11/95/570741195.db2.gz	NXEXHRSVNFRUDK-VHDJGTGISA-N	-1	0	381.478	4.737	50	10		GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000100922779	570781032	/nfs/dbraw/zinc/78/10/32/570781032.db2.gz	LHAYGZMZRMVADV-ZROIWOOFSA-N	-1	0	391.214	4.620	50	10		GJCARM
O=[N+]([O-])c1cc(Cl)cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1[O-]	ZINC000012618245	570891452	/nfs/dbraw/zinc/89/14/52/570891452.db2.gz	GSDFGRKPOLEWNG-HXUWFJFHSA-N	-1	0	392.802	4.943	50	10		GJCARM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(Br)c1	ZINC000014011382	207007974	/nfs/dbraw/zinc/00/79/74/207007974.db2.gz	MZZVGQHMAZNGIR-QPEQYQDCSA-N	-1	0	391.652	4.614	50	10		GJCARM
O=C1C=CC(=NNc2cccc3c2cccc3S(=O)(=O)[O-])c2cccnc21	ZINC000015884971	207067779	/nfs/dbraw/zinc/06/77/79/207067779.db2.gz	CWPNTHMHJUMFNM-QURGRASLSA-N	-1	0	379.397	4.756	50	10		GJCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)[nH]1	ZINC000038161069	207303255	/nfs/dbraw/zinc/30/32/55/207303255.db2.gz	AARFMUWXIQJMTP-SDQBBNPISA-N	-1	0	394.283	4.610	50	10		GJCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1	ZINC000101114509	208387230	/nfs/dbraw/zinc/38/72/30/208387230.db2.gz	JHVJJANGYUCKHL-LFIBNONCSA-N	-1	0	395.875	4.577	50	10		GJCARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)cc1)C2=O	ZINC000004179240	220690236	/nfs/dbraw/zinc/69/02/36/220690236.db2.gz	RUSWPSHMURDQDD-UHFFFAOYSA-N	-1	0	393.782	4.631	50	10		GJCARM
COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000008205701	221030504	/nfs/dbraw/zinc/03/05/04/221030504.db2.gz	DFZANHVSCRYEGL-DAYGRLMNSA-N	-1	0	383.831	4.651	50	10		GJCARM
O=[N+]([O-])c1ccc([O-])c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1	ZINC000015016297	221326447	/nfs/dbraw/zinc/32/64/47/221326447.db2.gz	QBXJFNBAXULQBL-OXJNMPFZSA-N	-1	0	393.424	4.604	50	10		GJCARM
O=[N+]([O-])c1ccc([O-])c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1	ZINC000015016296	221326539	/nfs/dbraw/zinc/32/65/39/221326539.db2.gz	QBXJFNBAXULQBL-JXFKEZNVSA-N	-1	0	393.424	4.604	50	10		GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1	ZINC000101346617	570821052	/nfs/dbraw/zinc/82/10/52/570821052.db2.gz	XHQULCAWDOZWKD-WJDWOHSUSA-N	-1	0	395.875	4.577	50	10		GJCARM
CCCS(=O)(=O)[N-]c1cc(N(CC)CC)ccc1N=Nc1nccs1	ZINC000252588859	570997556	/nfs/dbraw/zinc/99/75/56/570997556.db2.gz	AFIONMDBOURDST-UHFFFAOYSA-N	-1	0	381.527	4.556	50	10		GJCARM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(Cl)s3)SC2=S)c1	ZINC000014178164	206262884	/nfs/dbraw/zinc/26/28/84/206262884.db2.gz	BMVGSTUNHWLODM-YRNVUSSQSA-N	-1	0	381.887	4.506	50	10		GJCARM
CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000012565161	206914243	/nfs/dbraw/zinc/91/42/43/206914243.db2.gz	TWIBSQIGQWSIFV-BOPFTXTBSA-N	-1	0	399.493	4.579	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1F	ZINC000058704666	207781786	/nfs/dbraw/zinc/78/17/86/207781786.db2.gz	ULVKXUDPBJKJON-UHFFFAOYSA-N	-1	0	386.832	4.543	50	10		GJCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1O	ZINC000004151215	220687283	/nfs/dbraw/zinc/68/72/83/220687283.db2.gz	LWMHWURMKNUKQS-UHFFFAOYSA-N	-1	0	386.245	4.630	50	10		GJCARM
O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000068732641	222173494	/nfs/dbraw/zinc/17/34/94/222173494.db2.gz	FZTSNUXSMBLFQE-UHFFFAOYSA-N	-1	0	389.835	4.511	50	10		GJCARM
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc32)c1)c1cccs1	ZINC000000793392	560178665	/nfs/dbraw/zinc/17/86/65/560178665.db2.gz	NYXDSXZBPWSAFA-UHFFFAOYSA-N	-1	0	397.477	4.780	50	10	in-vitro	GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000101346177	570282825	/nfs/dbraw/zinc/28/28/25/570282825.db2.gz	XQCLJZZLGFYHMF-YBEGLDIGSA-N	-1	0	384.823	4.584	50	10		GJCARM
COc1ccc(-c2csc(Sc3c(C)[n-]n(-c4ccccc4)c3=O)n2)cc1	ZINC000103647790	570296274	/nfs/dbraw/zinc/29/62/74/570296274.db2.gz	NQPGWICUYJAASN-GOSISDBHSA-N	-1	0	395.509	4.702	50	10		GJCARM
[O-]c1c2oc3c(nc4n[nH]cc4c3-c3cccc(OC(F)F)c3)c2ccc1O	ZINC000218260752	570329195	/nfs/dbraw/zinc/32/91/95/570329195.db2.gz	CFDXJWUBGGABFS-UHFFFAOYSA-N	-1	0	383.310	4.537	50	10		GJCARM
Cc1ccccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000006234598	570346070	/nfs/dbraw/zinc/34/60/70/570346070.db2.gz	RBJVQGMTPQHWKV-UHFFFAOYSA-N	-1	0	396.874	4.773	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000033459545	570353194	/nfs/dbraw/zinc/35/31/94/570353194.db2.gz	NXEXHRSVNFRUDK-YAXRHUFXSA-N	-1	0	381.478	4.737	50	10		GJCARM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1	ZINC000005701289	570451726	/nfs/dbraw/zinc/45/17/26/570451726.db2.gz	IIEROUFTGSFZKX-UHFFFAOYSA-N	-1	0	385.872	4.680	50	10		GJCARM
O=[N+]([O-])c1ccc([C@@H]2Nc3c([O-])cc(Cl)c([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000169688982	570615437	/nfs/dbraw/zinc/61/54/37/570615437.db2.gz	WZGYQFWANGEGHU-WQGACYEGSA-N	-1	0	387.779	4.689	50	10		GJCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000033334145	570988619	/nfs/dbraw/zinc/98/86/19/570988619.db2.gz	RDALPBQHLOEHKY-PDGQHHTCSA-N	-1	0	389.480	4.641	50	10		GJCARM
O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1Cl)c1ccc(Cl)cc1	ZINC000000828902	212186401	/nfs/dbraw/zinc/18/64/01/212186401.db2.gz	RSKVWTKRRPOKTF-UHFFFAOYSA-N	-1	0	387.071	4.807	50	10		GJCARM
O=C([O-])c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000009232308	206779085	/nfs/dbraw/zinc/77/90/85/206779085.db2.gz	KKHIJILFKMERGQ-VGOFMYFVSA-N	-1	0	393.848	4.583	50	10		GJCARM
CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000003354088	220632864	/nfs/dbraw/zinc/63/28/64/220632864.db2.gz	DSFYUWJBUNBXND-GZTJUZNOSA-N	-1	0	399.493	4.578	50	10		GJCARM
CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000013343121	221265826	/nfs/dbraw/zinc/26/58/26/221265826.db2.gz	HVWOPZUDFYNAFC-SSZFMOIBSA-N	-1	0	391.558	4.830	50	10		GJCARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000100044287	570265486	/nfs/dbraw/zinc/26/54/86/570265486.db2.gz	OHFASWFSYHHIJV-YBEGLDIGSA-N	-1	0	384.823	4.584	50	10		GJCARM
CCOC(=O)c1cc(CC)sc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000100209359	570268626	/nfs/dbraw/zinc/26/86/26/570268626.db2.gz	VAUDIEHNDDTBHO-LDADJPATSA-N	-1	0	397.500	4.514	50	10		GJCARM
Cc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1Cl	ZINC000006301473	570366570	/nfs/dbraw/zinc/36/65/70/570366570.db2.gz	JGTYROZYHOVUNP-UHFFFAOYSA-N	-1	0	396.874	4.773	50	10		GJCARM
COc1cccc([N-]S(=O)(=O)c2cc(/N=N/c3ccccc3)ccc2OC)c1	ZINC000104766316	570905172	/nfs/dbraw/zinc/90/51/72/570905172.db2.gz	KDXYAQRNOMQQMF-QURGRASLSA-N	-1	0	397.456	4.920	50	10		GJCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000001249232	206370922	/nfs/dbraw/zinc/37/09/22/206370922.db2.gz	AEHCRNDGDYUIJV-LFIBNONCSA-N	-1	0	399.233	4.715	50	10		GJCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C1CCCCC1	ZINC000015800033	207061994	/nfs/dbraw/zinc/06/19/94/207061994.db2.gz	BEZNITMERCOOHX-UNOMPAQXSA-N	-1	0	395.459	4.705	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccccc2C(=O)[O-])C1=O	ZINC000005045466	220818451	/nfs/dbraw/zinc/81/84/51/220818451.db2.gz	PGVKLXHEOWCSIG-YMGXUNRSSA-N	-1	0	381.478	4.737	50	10		GJCARM
Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)o1	ZINC000015837031	221346975	/nfs/dbraw/zinc/34/69/75/221346975.db2.gz	NLIJWBUUHABTON-BOPFTXTBSA-N	-1	0	396.805	4.509	50	10		GJCARM
Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000000683129	570217470	/nfs/dbraw/zinc/21/74/70/570217470.db2.gz	FDMOYXDEVRCVPQ-UHFFFAOYSA-N	-1	0	385.872	4.680	50	10		GJCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccc2Cl)o1	ZINC000005028551	570399894	/nfs/dbraw/zinc/39/98/94/570399894.db2.gz	CYJAZSZMVWUCNE-NTCAYCPXSA-N	-1	0	396.855	4.546	50	10		GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000101083885	570797328	/nfs/dbraw/zinc/79/73/28/570797328.db2.gz	HSILCZRXMJKCBK-NTEUORMPSA-N	-1	0	391.214	4.620	50	10		GJCARM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c(OC)c1	ZINC000001139617	212221631	/nfs/dbraw/zinc/22/16/31/212221631.db2.gz	QQMAHEHSHZXONN-UHFFFAOYSA-N	-1	0	385.847	4.832	50	10		GJCARM
CCCC1CCC(c2ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])cc2)CC1	ZINC000003895996	206497046	/nfs/dbraw/zinc/49/70/46/206497046.db2.gz	NXAKRNSBJNPQEU-RJYAGPCLSA-N	-1	0	377.550	4.697	50	10		GJCARM
CSc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000012563874	206913751	/nfs/dbraw/zinc/91/37/51/206913751.db2.gz	XLCHRSBJFRUKMX-DHDCSXOGSA-N	-1	0	387.507	4.513	50	10		GJCARM
CCc1cccc2c(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)c[nH]c21	ZINC000020235749	207183806	/nfs/dbraw/zinc/18/38/06/207183806.db2.gz	BIEGCPXABBFOFB-WQRHYEAKSA-N	-1	0	387.439	4.854	50	10		GJCARM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(C(C)C)cc1	ZINC000033332350	208995024	/nfs/dbraw/zinc/99/50/24/208995024.db2.gz	UVJAUFAPWQEHBT-LICLKQGHSA-N	-1	0	382.847	4.968	50	10		GJCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(F)c2)o1	ZINC000016956433	221374785	/nfs/dbraw/zinc/37/47/85/221374785.db2.gz	QCPCFLRTZVCUPT-ATVHPVEESA-N	-1	0	392.411	4.757	50	10		GJCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CC=Cc1ccccc1	ZINC000008995945	136195940	/nfs/dbraw/zinc/19/59/40/136195940.db2.gz	BINVLJAEFMLKBL-MAHQCVNESA-N	-1	0	386.329	4.768	50	10		GJCARM
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000111478310	222514947	/nfs/dbraw/zinc/51/49/47/222514947.db2.gz	OXEWPAVNHQWPFP-HBUWYVDXSA-N	-1	0	383.831	4.651	50	10		GJCARM
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccccc2C(=O)[O-])C1=O	ZINC000000966707	570232310	/nfs/dbraw/zinc/23/23/10/570232310.db2.gz	PGVKLXHEOWCSIG-RQGFIEOQSA-N	-1	0	381.478	4.737	50	10		GJCARM
Cc1[nH]c2ccccc2c1[C@H](c1cc(Cl)cc(Cl)c1[O-])N1CCOCC1	ZINC000019939160	570232543	/nfs/dbraw/zinc/23/25/43/570232543.db2.gz	QUVZHOBLJFFCEX-IBGZPJMESA-N	-1	0	391.298	4.910	50	10		GJCARM
CCOc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000033316230	570406267	/nfs/dbraw/zinc/40/62/67/570406267.db2.gz	YKQYZIDQRQHIQQ-YBEGLDIGSA-N	-1	0	384.819	4.554	50	10		GJCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(N2CCOCC2)cc1	ZINC000252609030	571009485	/nfs/dbraw/zinc/00/94/85/571009485.db2.gz	HPKAXVQIWMGCBV-UHFFFAOYSA-N	-1	0	397.866	4.792	50	10		GJCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2	ZINC000001085835	212215491	/nfs/dbraw/zinc/21/54/91/212215491.db2.gz	CYBLCGWUHVMXIL-LQWHRVPQSA-N	-1	0	379.481	4.706	50	10		GJCARM
Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)s1	ZINC000009058653	212162207	/nfs/dbraw/zinc/16/22/07/212162207.db2.gz	BMFVJUHCULECMA-MDWZMJQESA-N	-1	0	380.347	4.582	50	10		GJCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4)c3=O)n2)cc1	ZINC000100511029	208376572	/nfs/dbraw/zinc/37/65/72/208376572.db2.gz	MVJINLXEZQOTHZ-CCWVLBSLSA-N	-1	0	391.456	4.694	50	10		GJCARM
Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000064678951	136157505	/nfs/dbraw/zinc/15/75/05/136157505.db2.gz	DYOYEHWFTUFVOH-XFXZXTDPSA-N	-1	0	391.279	4.973	50	10		GJCARM
O=c1c(C=Nc2ccccc2C(F)(F)F)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000100329284	518202330	/nfs/dbraw/zinc/20/23/30/518202330.db2.gz	ORZJNUGBWYGBDP-BENRWUELSA-N	-1	0	399.294	4.966	50	10		GJCARM
COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000003634380	570349347	/nfs/dbraw/zinc/34/93/47/570349347.db2.gz	PZPMHVFORHISPX-UHFFFAOYSA-N	-1	0	395.521	4.557	50	10		GJCARM
COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c(O)c1	ZINC000241435216	570686473	/nfs/dbraw/zinc/68/64/73/570686473.db2.gz	NLTRIXADWRJWBJ-HNNXBMFYSA-N	-1	0	384.482	4.515	50	10		GJCARM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000100922833	570780922	/nfs/dbraw/zinc/78/09/22/570780922.db2.gz	WFGFKGPBSLVKQM-YBEGLDIGSA-N	-1	0	384.823	4.584	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000016890247	570916776	/nfs/dbraw/zinc/91/67/76/570916776.db2.gz	RDOICLHGZLWRBO-QKIOLIMFSA-N	-1	0	381.478	4.737	50	10		GJCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(Cl)ccc2OC)cc1	ZINC000003672680	206493939	/nfs/dbraw/zinc/49/39/39/206493939.db2.gz	QUBPCVCXUJKEIH-UHFFFAOYSA-N	-1	0	385.847	4.832	50	10		GJCARM
CCCC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000027571762	207327117	/nfs/dbraw/zinc/32/71/17/207327117.db2.gz	XGBKNERJKOJFIP-SFHVURJKSA-N	-1	0	399.834	4.508	50	10		GJCARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1nc(-c2ccc(C)c(C)c2)cs1	ZINC000028047662	207335525	/nfs/dbraw/zinc/33/55/25/207335525.db2.gz	PHTYRUHBBUAODI-UHFFFAOYSA-N	-1	0	388.514	4.545	50	10		GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000100044360	208372307	/nfs/dbraw/zinc/37/23/07/208372307.db2.gz	LHAYGZMZRMVADV-NTEUORMPSA-N	-1	0	391.214	4.620	50	10		GJCARM
O=C([O-])CC/C(=C1/C=C(c2ccc(Cl)cc2)NC1=O)c1ccc(Cl)cc1	ZINC000000756438	220456844	/nfs/dbraw/zinc/45/68/44/220456844.db2.gz	BTXITMQNZMNSAE-WUKNDPDISA-N	-1	0	388.250	4.783	50	10		GJCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cccs1	ZINC000000657181	136192867	/nfs/dbraw/zinc/19/28/67/136192867.db2.gz	YTMGVGLVYQSCEK-YFHOEESVSA-N	-1	0	383.281	4.727	50	10		GJCARM
Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000004688411	570393238	/nfs/dbraw/zinc/39/32/38/570393238.db2.gz	XLSQSVOWGDVYQT-HYARGMPZSA-N	-1	0	399.450	4.598	50	10		GJCARM
O=C([O-])c1ccc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1	ZINC000002713880	570509418	/nfs/dbraw/zinc/50/94/18/570509418.db2.gz	TVNNMSRUDKWVKN-JYRVWZFOSA-N	-1	0	393.251	4.774	50	10		GJCARM
Cc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1	ZINC000006811728	570616176	/nfs/dbraw/zinc/61/61/76/570616176.db2.gz	VZPGRUGHABBTPN-UHFFFAOYSA-N	-1	0	396.874	4.773	50	10		GJCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c(C)c1	ZINC000006897395	570694081	/nfs/dbraw/zinc/69/40/81/570694081.db2.gz	OZDXJYRUVQBFDB-WQRHYEAKSA-N	-1	0	387.439	4.610	50	10		GJCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000101357774	570819734	/nfs/dbraw/zinc/81/97/34/570819734.db2.gz	GQJJBZKRMYWFMT-YBEGLDIGSA-N	-1	0	384.823	4.584	50	10		GJCARM
O=C([O-])CCc1ccc(-c2cccs2)n1-c1cccc(Br)c1	ZINC000001150529	206359764	/nfs/dbraw/zinc/35/97/64/206359764.db2.gz	VFQANOSHZNCMMM-UHFFFAOYSA-N	-1	0	376.275	4.986	50	10		GJCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000001270101	206370301	/nfs/dbraw/zinc/37/03/01/206370301.db2.gz	RDALPBQHLOEHKY-LDADJPATSA-N	-1	0	389.480	4.641	50	10		GJCARM
CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000011852195	208766360	/nfs/dbraw/zinc/76/63/60/208766360.db2.gz	BPNJKEMCBOUUAM-FGOROCHQSA-N	-1	0	395.505	4.660	50	10		GJCARM
O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1Cc1ccco1	ZINC000004690276	220748126	/nfs/dbraw/zinc/74/81/26/220748126.db2.gz	JMUFSWWTCPVVJW-SDQBBNPISA-N	-1	0	386.281	4.693	50	10		GJCARM
CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000004844874	570338978	/nfs/dbraw/zinc/33/89/78/570338978.db2.gz	QYTDJFIAPKSMEO-GOSISDBHSA-N	-1	0	399.834	4.508	50	10		GJCARM
CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC000004128588	570359052	/nfs/dbraw/zinc/35/90/52/570359052.db2.gz	BPNJKEMCBOUUAM-GONPUESXSA-N	-1	0	395.505	4.660	50	10		GJCARM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000101553789	570826848	/nfs/dbraw/zinc/82/68/48/570826848.db2.gz	NINLOUSABBEDME-WCWDXBQESA-N	-1	0	389.337	4.971	50	10		GJCARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)c(Cl)c1)C2=O	ZINC000000991654	206339313	/nfs/dbraw/zinc/33/93/13/206339313.db2.gz	YNTKLWOJOPLUCU-UHFFFAOYSA-N	-1	0	393.782	4.631	50	10		GJCARM
O=C([O-])CCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	ZINC000001916919	206394219	/nfs/dbraw/zinc/39/42/19/206394219.db2.gz	PKMHMWGVNCYMTB-GHRIWEEISA-N	-1	0	385.510	4.686	50	10		GJCARM
COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000032192962	207394254	/nfs/dbraw/zinc/39/42/54/207394254.db2.gz	QYZDSMOCENWUBF-IYOUNJFTSA-N	-1	0	383.831	4.651	50	10		GJCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21	ZINC000012292883	221176393	/nfs/dbraw/zinc/17/63/93/221176393.db2.gz	OKJWTOBUUJGNRU-JCMHNJIXSA-N	-1	0	392.414	4.659	50	10		GJCARM
CC(C)Cn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000002587745	570291531	/nfs/dbraw/zinc/29/15/31/570291531.db2.gz	IEYLKIHMKIKNLQ-UNOMPAQXSA-N	-1	0	393.487	4.932	50	10		GJCARM
COc1ccc([N+](=O)[O-])cc1-n1c(C)c(C(=O)[O-])cc1-c1ccc(C)c(C)c1	ZINC000004237781	570363739	/nfs/dbraw/zinc/36/37/39/570363739.db2.gz	CKZDGNNNDJGYPJ-UHFFFAOYSA-N	-1	0	380.400	4.685	50	10		GJCARM
Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2ccccc2Cl)C1	ZINC000012408729	570655344	/nfs/dbraw/zinc/65/53/44/570655344.db2.gz	URDNJPOXCAMFGY-OAHLLOKOSA-N	-1	0	382.847	4.516	50	10		GJCARM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(C(C)C)cc1	ZINC000004471247	570797802	/nfs/dbraw/zinc/79/78/02/570797802.db2.gz	UVJAUFAPWQEHBT-YVLHZVERSA-N	-1	0	382.847	4.968	50	10		GJCARM
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004691625	570840385	/nfs/dbraw/zinc/84/03/85/570840385.db2.gz	OXEWPAVNHQWPFP-GLJUWKHASA-N	-1	0	383.831	4.651	50	10		GJCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1c[nH]c2ccccc12	ZINC000016956547	207080469	/nfs/dbraw/zinc/08/04/69/207080469.db2.gz	JCJTYKIOKLGLCK-NVNXTCNLSA-N	-1	0	399.328	4.693	50	10		GJCARM
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000004657313	220742596	/nfs/dbraw/zinc/74/25/96/220742596.db2.gz	GAGRGCXCIHIAGE-MOSHPQCFSA-N	-1	0	386.407	4.759	50	10		GJCARM
O=[N+]([O-])c1cc(Cl)cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1[O-]	ZINC000012618249	221215478	/nfs/dbraw/zinc/21/54/78/221215478.db2.gz	GSDFGRKPOLEWNG-FQEVSTJZSA-N	-1	0	392.802	4.943	50	10		GJCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000100511037	570272861	/nfs/dbraw/zinc/27/28/61/570272861.db2.gz	AUFGRUQDTXDETL-KGNHYALCSA-N	-1	0	375.457	4.994	50	10		GJCARM
CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000004844873	570339095	/nfs/dbraw/zinc/33/90/95/570339095.db2.gz	QYTDJFIAPKSMEO-SFHVURJKSA-N	-1	0	399.834	4.508	50	10		GJCARM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(C(=O)[O-])c2)o1	ZINC000004363133	570371031	/nfs/dbraw/zinc/37/10/31/570371031.db2.gz	AATWKLVUXYLCNY-DEDYPNTBSA-N	-1	0	386.407	4.759	50	10		GJCARM
COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)c1	ZINC000004810890	570407363	/nfs/dbraw/zinc/40/73/63/570407363.db2.gz	NFQIZAIUORKUBD-XEKQOVJPSA-N	-1	0	385.847	4.882	50	10		GJCARM
O=[N+]([O-])c1ccc([C@@H]2Nc3c([O-])cc(Cl)c([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000239235918	570428600	/nfs/dbraw/zinc/42/86/00/570428600.db2.gz	WZGYQFWANGEGHU-HSMVNMDESA-N	-1	0	387.779	4.689	50	10		GJCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	ZINC000001261571	212232991	/nfs/dbraw/zinc/23/29/91/212232991.db2.gz	GKWXPVYKHAXXOX-SFQUDFHCSA-N	-1	0	396.855	4.546	50	10		GJCARM
CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005197746	206597441	/nfs/dbraw/zinc/59/74/41/206597441.db2.gz	VXZAZQDSIRDWLB-JOCHJYFZSA-N	-1	0	386.411	4.704	50	10		GJCARM
CC(/C=C1/SC(=S)N(c2ccccc2C(=O)[O-])C1=O)=C/c1ccccc1	ZINC000000966705	570232359	/nfs/dbraw/zinc/23/23/59/570232359.db2.gz	PGVKLXHEOWCSIG-RTNVFWHRSA-N	-1	0	381.478	4.737	50	10		GJCARM
O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000004587876	570386129	/nfs/dbraw/zinc/38/61/29/570386129.db2.gz	IWKVLLDLPZBWSW-UHFFFAOYSA-N	-1	0	389.835	4.511	50	10		GJCARM
S=C(NN=c1nc(-c2ccccc2)c(-c2ccccc2)n[n-]1)Nc1ccccc1	ZINC000006575848	570483754	/nfs/dbraw/zinc/48/37/54/570483754.db2.gz	MAWDJDAJSIOOFA-UHFFFAOYSA-N	-1	0	398.495	4.519	50	10		GJCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000017028017	570924717	/nfs/dbraw/zinc/92/47/17/570924717.db2.gz	IBOPKISDVWVFFQ-MHWRWJLKSA-N	-1	0	396.786	4.695	50	10		GJCARM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000001274278	212234276	/nfs/dbraw/zinc/23/42/76/212234276.db2.gz	CMNZBKTUIRTIGD-DEDYPNTBSA-N	-1	0	386.407	4.759	50	10		GJCARM
O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(Br)cc1	ZINC000001053950	212211418	/nfs/dbraw/zinc/21/14/18/212211418.db2.gz	SJGAIPIRNMBJAT-UHFFFAOYSA-N	-1	0	376.275	4.986	50	10		GJCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)[nH]1	ZINC000017163225	221381387	/nfs/dbraw/zinc/38/13/87/221381387.db2.gz	IOAIOWJCDWSYTP-LNKIKWGQSA-N	-1	0	394.283	4.610	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F	ZINC000058701167	222055990	/nfs/dbraw/zinc/05/59/90/222055990.db2.gz	UHIMLOGOHSNRME-UHFFFAOYSA-N	-1	0	386.832	4.543	50	10		GJCARM
CSc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1	ZINC000004524469	570843551	/nfs/dbraw/zinc/84/35/51/570843551.db2.gz	DBLQZSFXVCRUNY-DHDCSXOGSA-N	-1	0	386.860	4.566	50	10		GJCARM
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)C1=Cc1ccccc1	ZINC000033316187	570972545	/nfs/dbraw/zinc/97/25/45/570972545.db2.gz	MBYPQVDTGQJKOE-QNGOZBTKSA-N	-1	0	398.418	4.772	50	10		GJCARM
Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C	ZINC000001270075	212234387	/nfs/dbraw/zinc/23/43/87/212234387.db2.gz	HPYRLNMDFZOURS-GZTJUZNOSA-N	-1	0	393.830	4.647	50	10		GJCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000100024997	208369850	/nfs/dbraw/zinc/36/98/50/208369850.db2.gz	GQJJBZKRMYWFMT-MHWRWJLKSA-N	-1	0	384.823	4.584	50	10		GJCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1	ZINC000008742748	221054549	/nfs/dbraw/zinc/05/45/49/221054549.db2.gz	UJYUIVVOBQNISJ-RCCKNPSSSA-N	-1	0	399.450	4.606	50	10		GJCARM
CC(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000013343101	221266001	/nfs/dbraw/zinc/26/60/01/221266001.db2.gz	AKLYTCNHRZHZKT-VBKFSLOCSA-N	-1	0	377.531	4.656	50	10		GJCARM
CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000100517996	570272905	/nfs/dbraw/zinc/27/29/05/570272905.db2.gz	VLQHTJCBTWNDRH-GZTJUZNOSA-N	-1	0	397.500	4.569	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1	ZINC000012521009	570827426	/nfs/dbraw/zinc/82/74/26/570827426.db2.gz	BFGOYPDCPYMMKX-UHFFFAOYSA-N	-1	0	390.417	4.603	50	10		GJCARM
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000001255220	570950267	/nfs/dbraw/zinc/95/02/67/570950267.db2.gz	FZXKZVJTFWWGLD-LICLKQGHSA-N	-1	0	394.477	4.580	50	10		GJCARM
CCN(CC)c1ccc(/C=C(/CC(=O)[O-])c2nnc(-c3ccc(C)cc3)o2)cc1	ZINC000096920999	212155910	/nfs/dbraw/zinc/15/59/10/212155910.db2.gz	OMAOIPHQSURZTF-RGEXLXHISA-N	-1	0	391.471	4.907	50	10		GJCARM
Cc1c(OCc2ccc(C(=O)[O-])o2)ccc2c(-c3ccccc3)cc(=O)oc12	ZINC000001151510	212144616	/nfs/dbraw/zinc/14/46/16/212144616.db2.gz	KKWJAVLPKUAQOI-UHFFFAOYSA-N	-1	0	376.364	4.639	50	10	biogenic	GJCARM
CCCCOc1cccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)c1	ZINC000020109823	207178465	/nfs/dbraw/zinc/17/84/65/207178465.db2.gz	MMMCETRTCDVAIE-LDADJPATSA-N	-1	0	396.468	4.646	50	10		GJCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccsc1	ZINC000027533428	207327439	/nfs/dbraw/zinc/32/74/39/207327439.db2.gz	FNBZBJJBIXLSRM-RMKNXTFCSA-N	-1	0	383.281	4.727	50	10		GJCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)cc1	ZINC000004172187	220689562	/nfs/dbraw/zinc/68/95/62/220689562.db2.gz	XASKSINGCXKCFW-UHFFFAOYSA-N	-1	0	386.245	4.630	50	10		GJCARM
CC(C)c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCC1	ZINC000085876113	570262950	/nfs/dbraw/zinc/26/29/50/570262950.db2.gz	FAKYNPPVCLKIKS-UHFFFAOYSA-N	-1	0	381.432	4.664	50	10	biogenic	GJCARM
O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(CNc3cccnc3)c2o1	ZINC000013690342	570775603	/nfs/dbraw/zinc/77/56/03/570775603.db2.gz	LPNPMBRRXFBDIO-UHFFFAOYSA-N	-1	0	378.815	4.826	50	10		GJCARM
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000101496632	570825566	/nfs/dbraw/zinc/82/55/66/570825566.db2.gz	JHTAALUEVLIBMF-XDHOZWIPSA-N	-1	0	390.370	4.590	50	10		GJCARM
COc1ccc(N=Nc2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000102151889	570842086	/nfs/dbraw/zinc/84/20/86/570842086.db2.gz	ISUQFWQYQRWIEV-NZXNHFJFSA-N	-1	0	385.427	4.620	50	10		GJCARM
COC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1	ZINC000001118328	206355131	/nfs/dbraw/zinc/35/51/31/206355131.db2.gz	ORGOVVHMIRRZFO-UHFFFAOYSA-N	-1	0	383.831	4.602	50	10		GJCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccc(C)cc34)C2=O)cc1	ZINC000020119392	136202638	/nfs/dbraw/zinc/20/26/38/136202638.db2.gz	UFJHTTSXGRIGMW-UNOMPAQXSA-N	-1	0	387.439	4.854	50	10		GJCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000033352764	570407143	/nfs/dbraw/zinc/40/71/43/570407143.db2.gz	IBOPKISDVWVFFQ-YBEGLDIGSA-N	-1	0	396.786	4.695	50	10		GJCARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3Cl)cc1)C2=O	ZINC000006337026	570477325	/nfs/dbraw/zinc/47/73/25/570477325.db2.gz	RIICTMLXOPRXBP-UHFFFAOYSA-N	-1	0	393.782	4.631	50	10		GJCARM
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000005174117	570493038	/nfs/dbraw/zinc/49/30/38/570493038.db2.gz	VCPQWUNWAPNKFW-XSFVSMFZSA-N	-1	0	397.430	4.865	50	10		GJCARM
O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1	ZINC000006623185	570506662	/nfs/dbraw/zinc/50/66/62/570506662.db2.gz	FWTCQPYLOXTLML-UHFFFAOYSA-N	-1	0	384.404	4.630	50	10		GJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000100922783	570781077	/nfs/dbraw/zinc/78/10/77/570781077.db2.gz	FGIOXGLZPNIWKO-ZROIWOOFSA-N	-1	0	391.214	4.620	50	10		GJCARM
Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1	ZINC000170593216	570851755	/nfs/dbraw/zinc/85/17/55/570851755.db2.gz	MZWRVLZHVMEOQT-UHFFFAOYSA-N	-1	0	382.869	4.712	50	10		GJCARM
COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000032121322	570962895	/nfs/dbraw/zinc/96/28/95/570962895.db2.gz	DFZANHVSCRYEGL-RKVPGOIHSA-N	-1	0	383.831	4.651	50	10		GJCARM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	ZINC000239274961	206280031	/nfs/dbraw/zinc/28/00/31/206280031.db2.gz	AZRBPQNKAPCMOS-YBVJTHMASA-N	-1	0	387.454	5.418	50	10		GJCARM
O=[N+]([O-])c1ccc([O-])c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1	ZINC000015016298	207041156	/nfs/dbraw/zinc/04/11/56/207041156.db2.gz	QBXJFNBAXULQBL-UZLBHIALSA-N	-1	0	393.424	4.604	50	10		GJCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000008741262	221054078	/nfs/dbraw/zinc/05/40/78/221054078.db2.gz	XCNPSDBWWMTZMS-STZFKDTASA-N	-1	0	399.450	4.909	50	10		GJCARM
Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2ccccc2Cl)C1	ZINC000012408730	221190589	/nfs/dbraw/zinc/19/05/89/221190589.db2.gz	URDNJPOXCAMFGY-HNNXBMFYSA-N	-1	0	382.847	4.516	50	10		GJCARM
O=C([O-])c1ccc(-c2ccc(C=C3SC(Nc4ccccc4)=NC3=O)o2)cc1	ZINC000012645828	221216973	/nfs/dbraw/zinc/21/69/73/221216973.db2.gz	FFPIUMLITGWPFI-PDGQHHTCSA-N	-1	0	390.420	4.727	50	10		GJCARM
Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	ZINC000001249107	136196213	/nfs/dbraw/zinc/19/62/13/136196213.db2.gz	WDSBTCIKRCVGIR-GXDHUFHOSA-N	-1	0	395.871	4.503	50	10		GJCARM
Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c1	ZINC000068741001	222172939	/nfs/dbraw/zinc/17/29/39/222172939.db2.gz	ZPIPBGWCBDEIAH-UHFFFAOYSA-N	-1	0	385.872	4.680	50	10		GJCARM
COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)c1	ZINC000004810891	570407298	/nfs/dbraw/zinc/40/72/98/570407298.db2.gz	NFQIZAIUORKUBD-WTOJCKNJSA-N	-1	0	385.847	4.882	50	10		GJCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(OC)c(Cl)c2)cc1	ZINC000006887082	570681792	/nfs/dbraw/zinc/68/17/92/570681792.db2.gz	UNNDBCAPVXZFQP-UHFFFAOYSA-N	-1	0	385.847	4.832	50	10		GJCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4C)o3)C2=O)cc1	ZINC000006029923	570815313	/nfs/dbraw/zinc/81/53/13/570815313.db2.gz	LTLJLRJEDUOFFX-PDGQHHTCSA-N	-1	0	392.842	4.678	50	10		GJCARM