smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(N=Nc2c(=O)[n-]n3c2nc(C)cc3C)c1	ZINC000101758648	370295175	/nfs/dbraw/zinc/29/51/75/370295175.db2.gz	PWPIGWJNDFXEFO-ISLYRVAYSA-N	-1	0	297.318	3.063	50	10		CGCARM
Cc1ccc(C)n1[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000002510543	301567163	/nfs/dbraw/zinc/56/71/63/301567163.db2.gz	ACJYWEWYQOPYSW-CQSZACIVSA-N	-1	0	261.296	3.308	50	10		CGCARM
Cc1ccc(C)n1[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000012955263	301565615	/nfs/dbraw/zinc/56/56/15/301565615.db2.gz	ACJYWEWYQOPYSW-AWEZNQCLSA-N	-1	0	261.296	3.308	50	10		CGCARM
Cc1cc(NC(=O)c2sc3ccccc3c2[O-])no1	ZINC000015837147	301362662	/nfs/dbraw/zinc/36/26/62/301362662.db2.gz	IAOZPQYDZDPNRU-UHFFFAOYSA-N	-1	0	274.301	3.156	50	10		CGCARM
Cc1ccc(C)n1-c1ccccc1SCC(=O)[O-]	ZINC000008701913	301564486	/nfs/dbraw/zinc/56/44/86/301564486.db2.gz	FAAGTYLJUBYGSS-UHFFFAOYSA-N	-1	0	261.346	3.271	50	10		CGCARM
O=C([O-])C=C1c2ccccc2CCc2ccccc21	ZINC000000393135	304042995	/nfs/dbraw/zinc/04/29/95/304042995.db2.gz	ILBXUKMLUQJLHX-UHFFFAOYSA-N	-1	0	250.297	3.302	50	10		CGCARM
O=C([O-])CCc1ccc(-c2ccccc2)n1C[C@H]1CCCO1	ZINC000004196038	304064019	/nfs/dbraw/zinc/06/40/19/304064019.db2.gz	YJIKCHRTUNMQKU-MRXNPFEDSA-N	-1	0	299.370	3.351	50	10		CGCARM
CC(=C1SC(=S)N=C1[O-])c1ccc(Cl)cc1	ZINC000000976706	277729031	/nfs/dbraw/zinc/72/90/31/277729031.db2.gz	YZYADDJPWFASRP-RMKNXTFCSA-N	-1	0	269.778	3.219	50	10		CGCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N)cc1	ZINC000100498718	281701710	/nfs/dbraw/zinc/70/17/10/281701710.db2.gz	KCOBQGBIGCVBCR-MJWGMMHASA-N	-1	0	293.330	3.144	50	10		CGCARM
Cc1cccc2cc3c(N)c(C(=O)[O-])sc3nc12	ZINC000019236735	302069595	/nfs/dbraw/zinc/06/95/95/302069595.db2.gz	WSUPKBPZYXAOIX-UHFFFAOYSA-N	-1	0	258.302	3.038	50	10		CGCARM
Cc1cc(Cl)cc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000022204689	301287980	/nfs/dbraw/zinc/28/79/80/301287980.db2.gz	QGBJKSXGAYOVCU-BREBYQMCSA-N	-1	0	263.724	3.187	50	10		CGCARM
Cc1ccc(C)n1-c1ccc(SCC(=O)[O-])cc1	ZINC000000244550	368324207	/nfs/dbraw/zinc/32/42/07/368324207.db2.gz	DASVXRJADIYRNJ-UHFFFAOYSA-N	-1	0	261.346	3.271	50	10		CGCARM
Cc1n[nH]c(C)c1/N=N/c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000039327593	369149388	/nfs/dbraw/zinc/14/93/88/369149388.db2.gz	HIUFTDOOCBXEOU-FOCLMDBBSA-N	-1	0	289.251	3.048	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21	ZINC000000051783	304154840	/nfs/dbraw/zinc/15/48/40/304154840.db2.gz	INTFXNLMNVSVFC-JWKOBGCHSA-N	-1	0	283.249	3.244	50	10		CGCARM
O=C([O-])[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@@H]21	ZINC000004718482	304155232	/nfs/dbraw/zinc/15/52/32/304155232.db2.gz	GLXGRTQDOFCAAZ-HEHGZKQESA-N	-1	0	265.312	3.378	50	10		CGCARM
O=C([O-])c1sc2cc(Br)ccc2c1O	ZINC000212701789	304285713	/nfs/dbraw/zinc/28/57/13/304285713.db2.gz	QHZSOUQZSMUWHQ-UHFFFAOYSA-N	-1	0	273.107	3.068	50	10		CGCARM
Cc1ccc(N=Nc2c(N)n(-c3ccccc3)[n-]c2=O)cc1	ZINC000252620050	393123881	/nfs/dbraw/zinc/12/38/81/393123881.db2.gz	LWMJYCGEGQNFJO-UHFFFAOYSA-N	-1	0	293.330	3.472	50	10		CGCARM
Cc1cccc(N=Nc2c([O-])c3ccccc3oc2=O)c1	ZINC000252508083	393124626	/nfs/dbraw/zinc/12/46/26/393124626.db2.gz	XCEYKCWOVRYTDA-CQSZACIVSA-N	-1	0	280.283	3.249	50	10		CGCARM
O=C([O-])/C=C/c1cccc(/N=N/N2CCCCC2)c1	ZINC000000306277	368338037	/nfs/dbraw/zinc/33/80/37/368338037.db2.gz	BGFKWLZABVBIQS-FUOROIJXSA-N	-1	0	259.309	3.269	50	10		CGCARM
Nc1[nH][n-]c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000004649640	368553976	/nfs/dbraw/zinc/55/39/76/368553976.db2.gz	LERDJNVXZLTIOK-FOCLMDBBSA-N	-1	0	271.202	3.132	50	10		CGCARM
CC1=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C=CC1=O	ZINC000004829208	170024850	/nfs/dbraw/zinc/02/48/50/170024850.db2.gz	HVFDEWUPMDGDAM-CCEZHUSRSA-N	-1	0	292.316	3.363	50	10		CGCARM
CC(=O)Nc1sc2c(c1C(=O)[O-])CCc1ccccc1-2	ZINC000000546342	278215118	/nfs/dbraw/zinc/21/51/18/278215118.db2.gz	QIZWGQLNBLLONN-UHFFFAOYSA-N	-1	0	287.340	3.170	50	10		CGCARM
CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-]	ZINC000001965150	278215235	/nfs/dbraw/zinc/21/52/35/278215235.db2.gz	QJOAPNYZZTXSHM-UHFFFAOYSA-N	-1	0	261.302	3.072	50	10		CGCARM
Cc1c(Cl)ccc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004234942	300958044	/nfs/dbraw/zinc/95/80/44/300958044.db2.gz	XFHJYHWLYWRLBP-IGJMFERPSA-N	-1	0	263.724	3.187	50	10		CGCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccoc3)C2=O)c1	ZINC000009041483	368574974	/nfs/dbraw/zinc/57/49/74/368574974.db2.gz	UXCBMSONMKDLSL-MDWZMJQESA-N	-1	0	296.282	3.095	50	10		CGCARM
O=c1cc(-c2ccc(F)cc2)oc2c(O)c([O-])ccc12	ZINC000033976490	368971346	/nfs/dbraw/zinc/97/13/46/368971346.db2.gz	LVXWGFKDZBHFHQ-UHFFFAOYSA-N	-1	0	272.231	3.010	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(F)cc(Cl)cc2[C@@H]2C=CC[C@@H]21	ZINC000035534008	304154870	/nfs/dbraw/zinc/15/48/70/304154870.db2.gz	YVQNSJGKZSADBP-RGNHYFCHSA-N	-1	0	267.687	3.018	50	10		CGCARM
CC(C)[C@@H]1Nc2c(C(=O)[O-])cccc2[C@@H]2C=CC[C@H]21	ZINC000016157385	280072187	/nfs/dbraw/zinc/07/21/87/280072187.db2.gz	PSKHTFSTWOYDKO-GYSYKLTISA-N	-1	0	257.333	3.495	50	10		CGCARM
O=C([O-])[C@H]1Nc2c(F)cc(Cl)cc2[C@H]2C=CC[C@H]21	ZINC000004234947	304209162	/nfs/dbraw/zinc/20/91/62/304209162.db2.gz	YVQNSJGKZSADBP-SXMVTHIZSA-N	-1	0	267.687	3.018	50	10		CGCARM
O=CC1=CC(=NNc2cccc(C(=O)[O-])c2)C=CC1=O	ZINC000004737744	170008167	/nfs/dbraw/zinc/00/81/67/170008167.db2.gz	VEUVVTPWFGTPGG-FOCLMDBBSA-N	-1	0	270.244	3.318	50	10		CGCARM
Cc1cc(C=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000005102774	170066383	/nfs/dbraw/zinc/06/63/83/170066383.db2.gz	WIMGPRSXTHUUQR-UHFFFAOYSA-N	-1	0	277.707	3.258	50	10		CGCARM
[O-]c1c(Cl)cc(Cl)c(Cl)c1CN1CCOCC1	ZINC000095606222	185015089	/nfs/dbraw/zinc/01/50/89/185015089.db2.gz	VEFSPVXJOXOAAZ-UHFFFAOYSA-N	-1	0	296.581	3.185	50	10		CGCARM
CC1=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)C=C1	ZINC000004037961	368528431	/nfs/dbraw/zinc/52/84/31/368528431.db2.gz	LTBWUBGHCDWIEM-CCEZHUSRSA-N	-1	0	292.316	3.363	50	10		CGCARM
CC(C)(C)c1cc2c(c(O)c1O)OC(C)(C)CC2=O	ZINC000000165273	391907114	/nfs/dbraw/zinc/90/71/14/391907114.db2.gz	GGFFBQMOFGAMJL-UHFFFAOYSA-N	-1	0	264.321	3.139	50	10		CGCARM
COc1ccc(Nc2ccc(OC)cc2C(=O)[O-])cc1	ZINC000001729836	368435832	/nfs/dbraw/zinc/43/58/32/368435832.db2.gz	CPUDINMZJMFLMJ-UHFFFAOYSA-N	-1	0	273.288	3.146	50	10		CGCARM
Cc1oc2c(O)c([O-])ccc2c(=O)c1-c1ccccc1	ZINC000005730178	368564619	/nfs/dbraw/zinc/56/46/19/368564619.db2.gz	BKMAXMMHJRZQTL-UHFFFAOYSA-N	-1	0	268.268	3.180	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(F)cc(Cl)cc2[C@@H]2C=CC[C@H]21	ZINC000022204559	304154769	/nfs/dbraw/zinc/15/47/69/304154769.db2.gz	YVQNSJGKZSADBP-DNSOKLHBSA-N	-1	0	267.687	3.018	50	10		CGCARM
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)[O-])c1C	ZINC000003220806	368497915	/nfs/dbraw/zinc/49/79/15/368497915.db2.gz	JPMXGRAFXCTDCE-UHFFFAOYSA-N	-1	0	279.723	3.454	50	10		CGCARM
CC[C@@H]1CCc2nc3sc(C(=O)[O-])c(N)c3cc2C1	ZINC000012419159	287121400	/nfs/dbraw/zinc/12/14/00/287121400.db2.gz	IPIDTDZYXCEWQI-SSDOTTSWSA-N	-1	0	276.361	3.092	50	10		CGCARM
O=c1c(Oc2ccc(F)cc2)coc2c(O)c([O-])ccc12	ZINC000006557399	170213338	/nfs/dbraw/zinc/21/33/38/170213338.db2.gz	JHQJMNSGCUBFAS-UHFFFAOYSA-N	-1	0	288.230	3.136	50	10		CGCARM
CCN(CC)c1c(F)c(F)c(/C=C/C(=O)[O-])c(F)c1F	ZINC000000366284	368350472	/nfs/dbraw/zinc/35/04/72/368350472.db2.gz	QRKBXEMEOZLHPD-AATRIKPKSA-N	-1	0	291.244	3.187	50	10		CGCARM
O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1cccc(F)c1	ZINC000006927527	170256225	/nfs/dbraw/zinc/25/62/25/170256225.db2.gz	UXEHGODNSYFXAI-UVTDQMKNSA-N	-1	0	282.274	3.127	50	10		CGCARM
CC(C)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004132628	280072062	/nfs/dbraw/zinc/07/20/62/280072062.db2.gz	IPGTXKITVRJXEC-ZOWXZIJZSA-N	-1	0	257.333	3.495	50	10		CGCARM
CC(C)[C@@H]1Nc2c(C(=O)[O-])cccc2[C@H]2C=CC[C@H]21	ZINC000004003415	280072179	/nfs/dbraw/zinc/07/21/79/280072179.db2.gz	PSKHTFSTWOYDKO-WDMOLILDSA-N	-1	0	257.333	3.495	50	10		CGCARM
O=CC1=CC(=NNc2ccc(C(=O)[O-])cc2)C=CC1=O	ZINC000100444184	230391991	/nfs/dbraw/zinc/39/19/91/230391991.db2.gz	GGNYTUKTKFDKNE-NXVVXOECSA-N	-1	0	270.244	3.318	50	10		CGCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O	ZINC000102268840	370301298	/nfs/dbraw/zinc/30/12/98/370301298.db2.gz	LKMOBUZCNODMQM-ZDBRSUKYSA-N	-1	0	294.314	3.267	50	10		CGCARM
Cc1cc(C)n2[n-]c(=O)c(N=Nc3ccccc3F)c2n1	ZINC000102598568	370306618	/nfs/dbraw/zinc/30/66/18/370306618.db2.gz	VZDNCPWOAHJIGG-ISLYRVAYSA-N	-1	0	285.282	3.194	50	10		CGCARM
Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000005811804	170142548	/nfs/dbraw/zinc/14/25/48/170142548.db2.gz	SOIXTWNTJBMIAO-VOTSOKGWSA-N	-1	0	286.287	3.040	50	10		CGCARM
COC(=O)c1sc2cc(Br)ccc2c1[O-]	ZINC000044154458	277456368	/nfs/dbraw/zinc/45/63/68/277456368.db2.gz	QGQYTZCACKYMKO-UHFFFAOYSA-N	-1	0	287.134	3.156	50	10		CGCARM
Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000002571733	300957856	/nfs/dbraw/zinc/95/78/56/300957856.db2.gz	XFHJYHWLYWRLBP-RVBZMBCESA-N	-1	0	263.724	3.187	50	10		CGCARM
Cc1noc(NC(=O)c2sc3ccccc3c2[O-])c1C	ZINC000000480531	368377034	/nfs/dbraw/zinc/37/70/34/368377034.db2.gz	RLSKDRMVQWDKPB-UHFFFAOYSA-N	-1	0	288.328	3.464	50	10		CGCARM
O=C([O-])C1=CC(=NNc2cccc([N+](=O)[O-])c2)C=CC1=O	ZINC000004261860	368539784	/nfs/dbraw/zinc/53/97/84/368539784.db2.gz	LJOXBIGRIKPBSQ-CCEZHUSRSA-N	-1	0	287.231	3.414	50	10	in-vitro	CGCARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccccc3)c2n1	ZINC000100801356	370283293	/nfs/dbraw/zinc/28/32/93/370283293.db2.gz	IVNCYZUVGBKGLT-WUKNDPDISA-N	-1	0	268.280	3.017	50	10		CGCARM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccc(C)c1	ZINC000013757734	368666822	/nfs/dbraw/zinc/66/68/22/368666822.db2.gz	ZCVOMPOLGCGBMC-DHDCSXOGSA-N	-1	0	295.342	3.423	50	10		CGCARM
Nc1c(N=Nc2ccccc2F)c(=O)[n-]n1-c1ccccc1	ZINC000103675136	370332121	/nfs/dbraw/zinc/33/21/21/370332121.db2.gz	OOIJLCGDBRLXTC-VHEBQXMUSA-N	-1	0	297.293	3.302	50	10		CGCARM
COCCn1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1	ZINC000005000383	170052675	/nfs/dbraw/zinc/05/26/75/170052675.db2.gz	KQACVJIFLZKHRF-UHFFFAOYSA-N	-1	0	287.359	3.127	50	10		CGCARM
O=C([O-])/C=C/c1ccc(N2Cc3ccccc3C2)cc1	ZINC000000229493	295983596	/nfs/dbraw/zinc/98/35/96/295983596.db2.gz	UTWOHBIOLVNITL-JXMROGBWSA-N	-1	0	265.312	3.305	50	10		CGCARM
Cc1nn(C)c(C)c1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000004186689	368535332	/nfs/dbraw/zinc/53/53/32/368535332.db2.gz	WRCITTWKECDCHC-CCEZHUSRSA-N	-1	0	258.281	3.151	50	10		CGCARM
O=S(=O)([O-])/N=N/c1ccc2c(c1)[nH]c1ccccc12	ZINC000002187177	368450278	/nfs/dbraw/zinc/45/02/78/368450278.db2.gz	KYZZYWXAXQXCGY-CCEZHUSRSA-N	-1	0	275.289	3.208	50	10		CGCARM
O=C([O-])c1ccc(N[N+](=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000004536347	368549861	/nfs/dbraw/zinc/54/98/61/368549861.db2.gz	ZYVHVGJGLOEEKD-NXVVXOECSA-N	-1	0	286.243	3.009	50	10		CGCARM
O=C([O-])C1=CC(=NNc2cccc([N+](=O)[O-])c2)C=CC1=O	ZINC000100412658	370278230	/nfs/dbraw/zinc/27/82/30/370278230.db2.gz	LJOXBIGRIKPBSQ-PFONDFGASA-N	-1	0	287.231	3.414	50	10		CGCARM
O=C([O-])COC1=CC(=O)C=CC1=NNc1ccccc1	ZINC000096191803	256887803	/nfs/dbraw/zinc/88/78/03/256887803.db2.gz	MDPMECYYEKANSV-FOCLMDBBSA-N	-1	0	272.260	3.271	50	10		CGCARM
CC(C)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004132634	169936588	/nfs/dbraw/zinc/93/65/88/169936588.db2.gz	IPGTXKITVRJXEC-HUBLWGQQSA-N	-1	0	257.333	3.495	50	10		CGCARM
Cc1cc(Cl)cc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000022204685	301287964	/nfs/dbraw/zinc/28/79/64/301287964.db2.gz	QGBJKSXGAYOVCU-NRUUGDAUSA-N	-1	0	263.724	3.187	50	10		CGCARM
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1	ZINC000001509367	368416142	/nfs/dbraw/zinc/41/61/42/368416142.db2.gz	JBABSYKPXSSJIV-UHFFFAOYSA-N	-1	0	297.763	3.155	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(F)cc(Cl)cc2[C@H]2C=CC[C@H]21	ZINC000022204566	304154710	/nfs/dbraw/zinc/15/47/10/304154710.db2.gz	YVQNSJGKZSADBP-JOAULVNJSA-N	-1	0	267.687	3.018	50	10		CGCARM
Cc1ccc([C@@H]2CC(c3cc(F)ccc3O)=NN2)cc1	ZINC000000552846	368386324	/nfs/dbraw/zinc/38/63/24/368386324.db2.gz	AECRITSRDVIBIN-AWEZNQCLSA-N	-1	0	270.307	3.278	50	10		CGCARM
Cc1ccc(N=Nc2c(N)n(-c3ccccc3)[n-]c2=O)cc1	ZINC000103675150	370331889	/nfs/dbraw/zinc/33/18/89/370331889.db2.gz	LWMJYCGEGQNFJO-VHEBQXMUSA-N	-1	0	293.330	3.472	50	10		CGCARM
O=C([O-])C1=CC(=NNc2ccc([N+](=O)[O-])cc2)C=CC1=O	ZINC000003861418	368521290	/nfs/dbraw/zinc/52/12/90/368521290.db2.gz	YVJPMMYYRNHJAU-CCEZHUSRSA-N	-1	0	287.231	3.414	50	10	in-vitro	CGCARM
O=C1C=CC(=NNc2ccccc2)C(S(=O)(=O)[O-])=C1	ZINC000071772864	369809971	/nfs/dbraw/zinc/80/99/71/369809971.db2.gz	CXXRIFMOUWHRQN-BUHFOSPRSA-N	-1	0	278.289	3.054	50	10		CGCARM
CCOC(=O)c1sc2c(cccc2Cl)c1[O-]	ZINC000253496208	377695415	/nfs/dbraw/zinc/69/54/15/377695415.db2.gz	VVZADVLESMRACU-UHFFFAOYSA-N	-1	0	256.710	3.437	50	10		CGCARM
O=C([O-])[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@@H]21	ZINC000004718481	170004952	/nfs/dbraw/zinc/00/49/52/170004952.db2.gz	GLXGRTQDOFCAAZ-DVOMOZLQSA-N	-1	0	265.312	3.378	50	10		CGCARM
O=c1c2ccc([O-])c(O)c2occ1-c1ccc(F)cc1	ZINC000006557424	170213471	/nfs/dbraw/zinc/21/34/71/170213471.db2.gz	CDFNAFBDERVJEY-UHFFFAOYSA-N	-1	0	272.231	3.010	50	10		CGCARM
O=C([O-])Cc1nc2ccccc2nc1-c1cccs1	ZINC000104861790	619215007	/nfs/dbraw/zinc/21/50/07/619215007.db2.gz	KUMQFNOUGKBVQS-FLIBITNWSA-N	-1	0	270.313	3.263	50	10		CGCARM
Cc1cc(Cl)cc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008549119	301287778	/nfs/dbraw/zinc/28/77/78/301287778.db2.gz	QGBJKSXGAYOVCU-KWBADKCTSA-N	-1	0	263.724	3.187	50	10		CGCARM
COc1cccc(N=Nc2c(=O)[n-]n3c2nc(C)cc3C)c1	ZINC000252624855	377643149	/nfs/dbraw/zinc/64/31/49/377643149.db2.gz	PWPIGWJNDFXEFO-UHFFFAOYSA-N	-1	0	297.318	3.063	50	10		CGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1	ZINC000020284480	171133587	/nfs/dbraw/zinc/13/35/87/171133587.db2.gz	RKTUYRNNPXGSQN-UHFFFAOYSA-N	-1	0	281.258	3.394	50	10		CGCARM
Cc1ccc(N=Nc2c(=O)[n-]n3c2nc(C)cc3C)cc1	ZINC000101864453	292042376	/nfs/dbraw/zinc/04/23/76/292042376.db2.gz	FVVDYXLLNHGDOY-ISLYRVAYSA-N	-1	0	281.319	3.363	50	10		CGCARM
Cc1ccc(C)n1[C@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000002510554	368457175	/nfs/dbraw/zinc/45/71/75/368457175.db2.gz	WAXRNUVGDLQRDQ-CQSZACIVSA-N	-1	0	288.303	3.077	50	10		CGCARM
COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)[O-]	ZINC000096180967	256806128	/nfs/dbraw/zinc/80/61/28/256806128.db2.gz	ADJRQAGHVIMGMB-CCEZHUSRSA-N	-1	0	292.316	3.357	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21	ZINC000004045273	304154759	/nfs/dbraw/zinc/15/47/59/304154759.db2.gz	INTFXNLMNVSVFC-VFWDIBGWSA-N	-1	0	283.249	3.244	50	10		CGCARM
Cc1cccc(N=Nc2c([O-])c3ccccc3oc2=O)c1	ZINC000253408070	189989698	/nfs/dbraw/zinc/98/96/98/189989698.db2.gz	XCEYKCWOVRYTDA-YWMAMYRUSA-N	-1	0	280.283	3.249	50	10		CGCARM
Cc1ccccc1N1C(=O)c2ccccc2C(=C[O-])C1=O	ZINC000526052613	261083268	/nfs/dbraw/zinc/08/32/68/261083268.db2.gz	VLZISSHDOVFIGV-UVTDQMKNSA-N	-1	0	279.295	3.081	50	10		CGCARM
O=S(=O)([O-])c1cccc(/N=N/Cc2ccccc2)c1	ZINC000071404344	176155188	/nfs/dbraw/zinc/15/51/88/176155188.db2.gz	GRDDGCITSDVMLD-CCEZHUSRSA-N	-1	0	276.317	3.217	50	10		CGCARM
CCOC(=O)c1sc2sc(C(C)=O)c(C)c2c1[O-]	ZINC000001395717	368410282	/nfs/dbraw/zinc/41/02/82/368410282.db2.gz	AHLOHMBMWUCMBZ-UHFFFAOYSA-N	-1	0	284.358	3.356	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]21	ZINC000101840095	304154878	/nfs/dbraw/zinc/15/48/78/304154878.db2.gz	INTFXNLMNVSVFC-QOSJWCAFSA-N	-1	0	283.249	3.244	50	10		CGCARM
COc1cccc(-n2c(C)cc(/C=C/C(=O)[O-])c2C)c1	ZINC000020284678	171133601	/nfs/dbraw/zinc/13/36/01/171133601.db2.gz	XVFZDOMLIYWDMS-BQYQJAHWSA-N	-1	0	271.316	3.201	50	10		CGCARM
CC(C)c1c2c[nH]nc2nc2c3ccc(O)c([O-])c3oc21	ZINC000217701222	278005307	/nfs/dbraw/zinc/00/53/07/278005307.db2.gz	UYEHTPDRMBZUGP-UHFFFAOYSA-N	-1	0	283.287	3.392	50	10	biogenic	CGCARM
CC1(C)C(c2ccccc2)=N[C@@H](c2ccccc2O)N1O	ZINC000003141624	344857752	/nfs/dbraw/zinc/85/77/52/344857752.db2.gz	KTUDEUNORFCQCC-MRXNPFEDSA-N	-1	0	282.343	3.364	50	10		CGCARM
Cc1ccc([C@H]2CC(c3cc(F)ccc3O)=NN2)cc1	ZINC000000552845	368386622	/nfs/dbraw/zinc/38/66/22/368386622.db2.gz	AECRITSRDVIBIN-CQSZACIVSA-N	-1	0	270.307	3.278	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(F)cc(Cl)cc2[C@H]2C=CC[C@@H]21	ZINC000035534011	304154862	/nfs/dbraw/zinc/15/48/62/304154862.db2.gz	YVQNSJGKZSADBP-YVZVNANGSA-N	-1	0	267.687	3.018	50	10		CGCARM
Nc1ccc(CSc2ccccc2C(=O)[O-])cc1	ZINC000030834196	171624389	/nfs/dbraw/zinc/62/43/89/171624389.db2.gz	WFGQYVNQVYNYBL-UHFFFAOYSA-N	-1	0	259.330	3.259	50	10		CGCARM
Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004234941	300957903	/nfs/dbraw/zinc/95/79/03/300957903.db2.gz	XFHJYHWLYWRLBP-RWEMILLDSA-N	-1	0	263.724	3.187	50	10		CGCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(O)cc1	ZINC000102094955	185770215	/nfs/dbraw/zinc/77/02/15/185770215.db2.gz	GYZCTWOWKLKPMU-ZDBRSUKYSA-N	-1	0	294.314	3.267	50	10		CGCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O	ZINC000102268843	370301307	/nfs/dbraw/zinc/30/13/07/370301307.db2.gz	LKMOBUZCNODMQM-HEWTWTGNSA-N	-1	0	294.314	3.267	50	10		CGCARM
Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000096190088	256887928	/nfs/dbraw/zinc/88/79/28/256887928.db2.gz	FMURRJAIMCRIKK-BQYQJAHWSA-N	-1	0	286.287	3.040	50	10		CGCARM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C(F)=C1	ZINC000102455615	185777821	/nfs/dbraw/zinc/77/78/21/185777821.db2.gz	OPJPWEZOXWQOBK-CCEZHUSRSA-N	-1	0	296.279	3.193	50	10		CGCARM
Cc1cc(CC(=O)[O-])c(C)n1-c1cc(C)cc(C)c1	ZINC000003630590	368516758	/nfs/dbraw/zinc/51/67/58/368516758.db2.gz	KCKZRQBZOVWQSP-UHFFFAOYSA-N	-1	0	257.333	3.338	50	10		CGCARM
O=C([O-])[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21	ZINC000013118289	304154830	/nfs/dbraw/zinc/15/48/30/304154830.db2.gz	INTFXNLMNVSVFC-LPBBDHJYSA-N	-1	0	283.249	3.244	50	10		CGCARM
O=C([O-])[C@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21	ZINC000004045274	304209087	/nfs/dbraw/zinc/20/90/87/304209087.db2.gz	INTFXNLMNVSVFC-GMEUVTARSA-N	-1	0	283.249	3.244	50	10		CGCARM
O=C([O-])[C@@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@H]21	ZINC000001515172	304155040	/nfs/dbraw/zinc/15/50/40/304155040.db2.gz	GLXGRTQDOFCAAZ-WOSRLPQWSA-N	-1	0	265.312	3.378	50	10		CGCARM
CCOC(=O)c1sc2c(nc3ccc(Cl)cn32)c1[O-]	ZINC000045028117	276305085	/nfs/dbraw/zinc/30/50/85/276305085.db2.gz	UQOYFRCCCCLMJA-UHFFFAOYSA-N	-1	0	296.735	3.085	50	10		CGCARM
O=[N+]([O-])c1ccc([O-])c(CNc2ccc(F)c(F)c2)c1	ZINC000096876707	185119340	/nfs/dbraw/zinc/11/93/40/185119340.db2.gz	QICWOLIYBSVEOQ-UHFFFAOYSA-N	-1	0	280.230	3.191	50	10		CGCARM
CCOc1ccc(-n2c(C)cc(C(=O)[O-])c2C)cc1	ZINC000019803691	368767641	/nfs/dbraw/zinc/76/76/41/368767641.db2.gz	FOHKSYYSLHAEOB-UHFFFAOYSA-N	-1	0	259.305	3.191	50	10		CGCARM
Cc1cccc(N=Nc2c([O-])c3ccccc3oc2=O)c1	ZINC000252508082	393124877	/nfs/dbraw/zinc/12/48/77/393124877.db2.gz	XCEYKCWOVRYTDA-AWEZNQCLSA-N	-1	0	280.283	3.249	50	10		CGCARM
O=C1NC(=S)S/C1=C/c1ccc(Cl)cc1Cl	ZINC000001038963	368400381	/nfs/dbraw/zinc/40/03/81/368400381.db2.gz	DUTNBAQMMZPIKM-FPYGCLRLSA-N	-1	0	290.196	3.482	50	10		CGCARM
Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000033247453	368960685	/nfs/dbraw/zinc/96/06/85/368960685.db2.gz	DAIAJSOQDQWBAR-LCYFTJDESA-N	-1	0	296.282	3.095	50	10		CGCARM
CC(C)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000100828253	370284636	/nfs/dbraw/zinc/28/46/36/370284636.db2.gz	IPGTXKITVRJXEC-XUJVJEKNSA-N	-1	0	257.333	3.495	50	10		CGCARM
O=S(=O)([O-])c1cccc(N=NCc2ccccc2)c1	ZINC000253532162	377697572	/nfs/dbraw/zinc/69/75/72/377697572.db2.gz	GRDDGCITSDVMLD-UHFFFAOYSA-N	-1	0	276.317	3.217	50	10		CGCARM
Cc1cc(C(=O)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000004054477	184530555	/nfs/dbraw/zinc/53/05/55/184530555.db2.gz	FVXHWXOFTWVFCO-UHFFFAOYSA-N	-1	0	277.707	3.015	50	10		CGCARM
Cc1ccc(C)n1[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000008925727	170359156	/nfs/dbraw/zinc/35/91/56/170359156.db2.gz	WAXRNUVGDLQRDQ-AWEZNQCLSA-N	-1	0	288.303	3.077	50	10		CGCARM
Cc1ccc(O)c(CNc2ccccc2C(=O)[O-])c1	ZINC000039617231	174170831	/nfs/dbraw/zinc/17/08/31/174170831.db2.gz	QRPFWTFAPOLYSY-UHFFFAOYSA-N	-1	0	257.289	3.011	50	10		CGCARM
CC(C)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000013154523	280072016	/nfs/dbraw/zinc/07/20/16/280072016.db2.gz	IPGTXKITVRJXEC-JMSVASOKSA-N	-1	0	257.333	3.495	50	10		CGCARM
Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000012138201	300957917	/nfs/dbraw/zinc/95/79/17/300957917.db2.gz	XFHJYHWLYWRLBP-KKFJDGPESA-N	-1	0	263.724	3.187	50	10		CGCARM
CC1(C)Cc2nc3sc(C(=O)[O-])c(N)c3cc2CS1	ZINC000020100942	368802163	/nfs/dbraw/zinc/80/21/63/368802163.db2.gz	WHZFAKWATCCZPP-UHFFFAOYSA-N	-1	0	294.401	3.145	50	10		CGCARM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccccc1	ZINC000033647453	368968030	/nfs/dbraw/zinc/96/80/30/368968030.db2.gz	GJPQZUWTJJXCDP-ZROIWOOFSA-N	-1	0	281.315	3.115	50	10		CGCARM
O=S(=O)([O-])N=Nc1ccc2c(c1)[nH]c1ccccc12	ZINC000252617730	377643374	/nfs/dbraw/zinc/64/33/74/377643374.db2.gz	KYZZYWXAXQXCGY-UHFFFAOYSA-N	-1	0	275.289	3.208	50	10		CGCARM
CC(C)[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004132630	280481641	/nfs/dbraw/zinc/48/16/41/280481641.db2.gz	IPGTXKITVRJXEC-SLEUVZQESA-N	-1	0	257.333	3.495	50	10		CGCARM
O=C([O-])[C@H]1Nc2ccc3ccccc3c2[C@H]2C=CC[C@H]21	ZINC000004237774	169946974	/nfs/dbraw/zinc/94/69/74/169946974.db2.gz	GLXGRTQDOFCAAZ-ZENOOKHLSA-N	-1	0	265.312	3.378	50	10		CGCARM
Cc1cc(C)n2[n-]c(=O)c(N=Nc3ccccc3)c2n1	ZINC000018054886	368738125	/nfs/dbraw/zinc/73/81/25/368738125.db2.gz	PTFOPVVIQROFDJ-WUKNDPDISA-N	-1	0	267.292	3.055	50	10		CGCARM
Cc1c(Cl)ccc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000004234940	391920493	/nfs/dbraw/zinc/92/04/93/391920493.db2.gz	XFHJYHWLYWRLBP-MWODSPESSA-N	-1	0	263.724	3.187	50	10		CGCARM
Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)[O-]	ZINC000003176852	368494661	/nfs/dbraw/zinc/49/46/61/368494661.db2.gz	TXLOBKPVDXIDCL-UHFFFAOYSA-N	-1	0	270.313	3.244	50	10		CGCARM
Nc1c(N=Nc2ccccc2F)c(=O)[n-]n1-c1ccccc1	ZINC000252623309	393124364	/nfs/dbraw/zinc/12/43/64/393124364.db2.gz	OOIJLCGDBRLXTC-UHFFFAOYSA-N	-1	0	297.293	3.302	50	10		CGCARM
Cc1cc(Cl)cc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004234938	301287890	/nfs/dbraw/zinc/28/78/90/301287890.db2.gz	QGBJKSXGAYOVCU-CWSCBRNRSA-N	-1	0	263.724	3.187	50	10		CGCARM
O=C1C=C([O-])C=CC1=NNc1ccc([N+](=O)[O-])cc1	ZINC000100012197	370269510	/nfs/dbraw/zinc/26/95/10/370269510.db2.gz	NGPGYVQZGRJHFJ-BUHFOSPRSA-N	-1	0	259.221	3.421	50	10	in-vitro	CGCARM
Cc1cc(CC(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000000001198	169503038	/nfs/dbraw/zinc/50/30/38/169503038.db2.gz	SJCRQMUYEQHNTC-UHFFFAOYSA-N	-1	0	263.724	3.375	50	10	in-man	CGCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1	ZINC000008769103	304655321	/nfs/dbraw/zinc/65/53/21/304655321.db2.gz	ZSWFJWXHZHNSHE-SDNWHVSQSA-N	-1	0	292.294	3.193	50	10		CGCARM
O=C([O-])CCc1ccc(-c2ccccc2)n1C[C@@H]1CCCO1	ZINC000004196037	368536260	/nfs/dbraw/zinc/53/62/60/368536260.db2.gz	YJIKCHRTUNMQKU-INIZCTEOSA-N	-1	0	299.370	3.351	50	10		CGCARM
Cc1cc(C=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000000333957	169609704	/nfs/dbraw/zinc/60/97/04/169609704.db2.gz	SHUWDTVLRJIUBG-UHFFFAOYSA-N	-1	0	277.707	3.258	50	10		CGCARM
O=C([O-])c1ccccc1NCc1cc(Cl)ccc1O	ZINC000036891489	397606973	/nfs/dbraw/zinc/60/69/73/397606973.db2.gz	WEIRXBLCHCNAJI-UHFFFAOYSA-N	-1	0	277.707	3.356	50	10		CGCARM
COc1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000004829927	170025477	/nfs/dbraw/zinc/02/54/77/170025477.db2.gz	JZWFWYVVLKRCCO-CCEZHUSRSA-N	-1	0	292.316	3.357	50	10		CGCARM
O=C([O-])c1ccc(NN=Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000006225138	336188363	/nfs/dbraw/zinc/18/83/63/336188363.db2.gz	IERAOTYVRHXGMG-UHFFFAOYSA-N	-1	0	286.247	3.404	50	10		CGCARM
CC(C)[C@@H]1Nc2c(C(=O)[O-])cccc2[C@@H]2C=CC[C@@H]21	ZINC000002383792	368452731	/nfs/dbraw/zinc/45/27/31/368452731.db2.gz	PSKHTFSTWOYDKO-SUNKGSAMSA-N	-1	0	257.333	3.495	50	10		CGCARM
CC(C)[C@@H]1Nc2c(C(=O)[O-])cccc2[C@H]2C=CC[C@@H]21	ZINC000004003417	169928318	/nfs/dbraw/zinc/92/83/18/169928318.db2.gz	PSKHTFSTWOYDKO-MJVIPROJSA-N	-1	0	257.333	3.495	50	10		CGCARM
CC1(C)C(c2ccccc2)=N[C@H](c2ccccc2O)N1O	ZINC000003141625	344858026	/nfs/dbraw/zinc/85/80/26/344858026.db2.gz	KTUDEUNORFCQCC-INIZCTEOSA-N	-1	0	282.343	3.364	50	10		CGCARM
Cc1ccc(N=Nc2c(=O)[n-]n3c2nc(C)cc3C)cc1	ZINC000252603970	292141218	/nfs/dbraw/zinc/14/12/18/292141218.db2.gz	FVVDYXLLNHGDOY-UHFFFAOYSA-N	-1	0	281.319	3.363	50	10		CGCARM
CC[C@H]1CCc2nc3sc(C(=O)[O-])c(N)c3cc2C1	ZINC000012419162	288249821	/nfs/dbraw/zinc/24/98/21/288249821.db2.gz	IPIDTDZYXCEWQI-ZETCQYMHSA-N	-1	0	276.361	3.092	50	10		CGCARM
O=C(Nc1nccs1)c1sc2ccccc2c1[O-]	ZINC000000480533	304019144	/nfs/dbraw/zinc/01/91/44/304019144.db2.gz	NSIGNSMDICDALH-UHFFFAOYSA-N	-1	0	276.342	3.316	50	10		CGCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(O)cc1	ZINC000102094967	397646296	/nfs/dbraw/zinc/64/62/96/397646296.db2.gz	GYZCTWOWKLKPMU-HEWTWTGNSA-N	-1	0	294.314	3.267	50	10		CGCARM
Cc1oc(C(=O)[O-])cc1COc1cccc2cccnc21	ZINC000003863358	618891396	/nfs/dbraw/zinc/89/13/96/618891396.db2.gz	KYBCGOVXKZSSPV-UHFFFAOYSA-N	-1	0	283.283	3.413	50	10		CGCARM
O=C([O-])[C@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21	ZINC000004045271	304209090	/nfs/dbraw/zinc/20/90/90/304209090.db2.gz	INTFXNLMNVSVFC-FDOIEUKUSA-N	-1	0	283.249	3.244	50	10		CGCARM
CC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000257346244	377797384	/nfs/dbraw/zinc/79/73/84/377797384.db2.gz	WBDYNFVXLPCVNZ-UHFFFAOYSA-N	-1	0	292.316	3.363	50	10		CGCARM
Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000003684596	300957827	/nfs/dbraw/zinc/95/78/27/300957827.db2.gz	XFHJYHWLYWRLBP-ZDMBXUJBSA-N	-1	0	263.724	3.187	50	10		CGCARM
O=C([O-])[C@@H]1Nc2ccc3ccccc3c2[C@@H]2C=CC[C@H]21	ZINC000004718483	304155033	/nfs/dbraw/zinc/15/50/33/304155033.db2.gz	GLXGRTQDOFCAAZ-XJKCOSOUSA-N	-1	0	265.312	3.378	50	10		CGCARM
Cc1cccc(N=Nc2c([O-])c3ccccc3oc2=O)c1	ZINC000253408068	377688703	/nfs/dbraw/zinc/68/87/03/377688703.db2.gz	XCEYKCWOVRYTDA-IAFNSTAXSA-N	-1	0	280.283	3.249	50	10		CGCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N)cc1	ZINC000100498717	392266589	/nfs/dbraw/zinc/26/65/89/392266589.db2.gz	KCOBQGBIGCVBCR-AMGRQBIBSA-N	-1	0	293.330	3.144	50	10		CGCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccs1	ZINC000017044356	134698000	/nfs/dbraw/zinc/69/80/00/134698000.db2.gz	SBPOFWQMIIZCRF-FMIVXFBMSA-N	-1	0	298.323	3.255	50	10		CGCARM
CCc1nc2sc(C(=O)[O-])c(N)c2c2c1CCCC2	ZINC000019707139	368759853	/nfs/dbraw/zinc/75/98/53/368759853.db2.gz	NLKHZGNXXAIIRS-UHFFFAOYSA-N	-1	0	276.361	3.018	50	10		CGCARM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C=C1	ZINC000254794120	377713545	/nfs/dbraw/zinc/71/35/45/377713545.db2.gz	CNYMBHPFLJWLJW-UHFFFAOYSA-N	-1	0	278.289	3.054	50	10		CGCARM
Cc1cc(C)n2[n-]c(=O)c(N=Nc3ccccc3)c2n1	ZINC000252624700	393126014	/nfs/dbraw/zinc/12/60/14/393126014.db2.gz	PTFOPVVIQROFDJ-UHFFFAOYSA-N	-1	0	267.292	3.055	50	10		CGCARM
COCCCn1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000002871709	169839303	/nfs/dbraw/zinc/83/93/03/169839303.db2.gz	UHWDVVGLOOPKRS-UHFFFAOYSA-N	-1	0	293.388	3.270	50	10		CGCARM
CC(=C1SC(=S)N=C1[O-])c1ccc(Cl)cc1	ZINC000000976705	277728961	/nfs/dbraw/zinc/72/89/61/277728961.db2.gz	YZYADDJPWFASRP-TWGQIWQCSA-N	-1	0	269.778	3.219	50	10		CGCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccoc3)C2=O)cc1	ZINC000009088536	368575070	/nfs/dbraw/zinc/57/50/70/368575070.db2.gz	SBMGYJWFXRUVER-MDWZMJQESA-N	-1	0	296.282	3.095	50	10		CGCARM
CC(C)[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004132625	169936725	/nfs/dbraw/zinc/93/67/25/169936725.db2.gz	IPGTXKITVRJXEC-YWPYICTPSA-N	-1	0	257.333	3.495	50	10		CGCARM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C=C1	ZINC000004404103	169965836	/nfs/dbraw/zinc/96/58/36/169965836.db2.gz	CNYMBHPFLJWLJW-BUHFOSPRSA-N	-1	0	278.289	3.054	50	10	in-vitro	CGCARM
Nc1c2cc3c(nc2sc1C(=O)[O-])CCCCCC3	ZINC000019798272	368767646	/nfs/dbraw/zinc/76/76/46/368767646.db2.gz	HQLFUXBZFRBIKP-UHFFFAOYSA-N	-1	0	276.361	3.236	50	10		CGCARM
CCN(CC)c1c(F)c(F)c(/C=C\C(=O)[O-])c(F)c1F	ZINC000005694972	170129822	/nfs/dbraw/zinc/12/98/22/170129822.db2.gz	QRKBXEMEOZLHPD-WAYWQWQTSA-N	-1	0	291.244	3.187	50	10		CGCARM
Cc1oc2c(O)c([O-])ccc2c(=O)c1Oc1ccccc1	ZINC000005730175	170134501	/nfs/dbraw/zinc/13/45/01/170134501.db2.gz	WOQXPLPDTBCBCT-UHFFFAOYSA-N	-1	0	284.267	3.305	50	10	biogenic	CGCARM
Cc1ccc2nc3sc(C(=O)[O-])c(N)c3cc2c1	ZINC000019221405	301927774	/nfs/dbraw/zinc/92/77/74/301927774.db2.gz	HPYXUKHYHKOTOF-UHFFFAOYSA-N	-1	0	258.302	3.038	50	10		CGCARM