smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cl)cc(CNCc2n[nH]c(=O)[n-]2)c1O[C@@H](C)C(=O)[O-]	ZINC000952972438	960266109	/nfs/dbraw/zinc/26/61/09/960266109.db2.gz	PFPKMDMGACCLQH-ZETCQYMHSA-N	-2	0	356.766	1.314	50	0		FDAARL
O=C([O-])[C@H](C(=O)Oc1ccccc1)[C@H](C(=O)[O-])C(=O)Oc1ccccc1	ZINC000005647540	204219567	/nfs/dbraw/zinc/21/95/67/204219567.db2.gz	WUXFJBKGSMQVDJ-ZIAGYGMSSA-N	-2	0	358.302	1.599	50	0		FDAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)no1	ZINC000000836017	518222347	/nfs/dbraw/zinc/22/23/47/518222347.db2.gz	SWCNJUSEQZZHJX-VOTSOKGWSA-N	-2	0	351.340	1.363	50	0		FDAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc2)no1	ZINC000020533563	518853440	/nfs/dbraw/zinc/85/34/40/518853440.db2.gz	GHLMVTSBBIWJDC-VIFPVBQESA-N	-2	0	368.371	1.378	50	0		FDAARL
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCCO2	ZINC000032848012	519546055	/nfs/dbraw/zinc/54/60/55/519546055.db2.gz	BPHAFUOPFJUQRK-UHFFFAOYSA-N	-2	0	367.383	1.687	50	0		FDAARL
COc1ccccc1[C@@H]1CN(C(=O)c2[nH]cnc2C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000091563126	524725638	/nfs/dbraw/zinc/72/56/38/524725638.db2.gz	FWQSJVJJAAIGLV-WDEREUQCSA-N	-2	0	359.338	1.057	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)OCCOC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000245240330	537655762	/nfs/dbraw/zinc/65/57/62/537655762.db2.gz	PDZQDZYDKNSOJM-SYQHCUMBSA-N	-2	0	370.398	1.855	50	0		FDAARL
COCCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C	ZINC000267493160	601234298	/nfs/dbraw/zinc/23/42/98/601234298.db2.gz	DNZYAEHPNDVKNC-UHFFFAOYSA-N	-2	0	359.429	1.707	50	0		FDAARL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)[O-])cc2)n1	ZINC000005332517	204203511	/nfs/dbraw/zinc/20/35/11/204203511.db2.gz	RUUCFQCUDZHBKH-SREVYHEPSA-N	-2	0	362.367	1.165	50	0		FDAARL
O=C([O-])[C@@H](C(=O)Oc1ccccc1)[C@@H](C(=O)[O-])C(=O)Oc1ccccc1	ZINC000005647534	204219350	/nfs/dbraw/zinc/21/93/50/204219350.db2.gz	WUXFJBKGSMQVDJ-KBPBESRZSA-N	-2	0	358.302	1.599	50	0		FDAARL
C[C@H](OC(=O)N=C([O-])C(F)(F)F)[C@H](C)OC(=O)N=C([O-])C(F)(F)F	ZINC000001805319	206228416	/nfs/dbraw/zinc/22/84/16/206228416.db2.gz	OAEIELZEEGOMSL-IMJSIDKUSA-N	-2	0	368.186	1.394	50	0		FDAARL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)n1	ZINC000000860055	518221993	/nfs/dbraw/zinc/22/19/93/518221993.db2.gz	DLZGGVMFHTYWQY-UHFFFAOYSA-N	-2	0	364.383	1.389	50	0		FDAARL
COCCCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2ccc(OC)cc2)C1=O	ZINC000101378496	525221172	/nfs/dbraw/zinc/22/11/72/525221172.db2.gz	NCIMJPOSHPTNQD-XOYPXTSZSA-N	-2	0	360.366	1.635	50	0		FDAARL
O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1	ZINC000437678113	681807568	/nfs/dbraw/zinc/80/75/68/681807568.db2.gz	AOLNGQAYHLYIIM-UHFFFAOYSA-N	-2	0	363.395	1.678	50	0		FDAARL
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001632636	204015409	/nfs/dbraw/zinc/01/54/09/204015409.db2.gz	YONLFQNRGZXBBF-KBPBESRZSA-N	-2	0	358.302	1.607	50	0	in-vitro	FDAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)c3ccc(F)cc3)c-2c1=O	ZINC000006762541	204267022	/nfs/dbraw/zinc/26/70/22/204267022.db2.gz	LFDVKZGTDCDSIB-GOEBONIOSA-N	-2	0	367.336	1.534	50	0		FDAARL
O=C([O-])c1ccc(NC(=O)COc2ccccc2P(=O)([O-])[O-])cc1	ZINC000009341109	204365094	/nfs/dbraw/zinc/36/50/94/204365094.db2.gz	ACTKMNFRAFYDAE-UHFFFAOYSA-N	-3	0	351.251	1.205	50	0		FDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)NCCC(=O)[O-]	ZINC000002113288	206153210	/nfs/dbraw/zinc/15/32/10/206153210.db2.gz	HQDMKVWTQXIZDF-UHFFFAOYSA-N	-2	0	353.758	1.984	50	0	biogenic	FDAARL
O=C([N-]C(=O)C(F)(F)F)OCCCCOC(=O)[N-]C(=O)C(F)(F)F	ZINC000004669031	206237934	/nfs/dbraw/zinc/23/79/34/206237934.db2.gz	RRJLMTGOLDFIAI-UHFFFAOYSA-N	-2	0	368.186	1.397	50	0		FDAARL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000285047577	675788236	/nfs/dbraw/zinc/78/82/36/675788236.db2.gz	JKZBLQFOLDYFJH-UHFFFAOYSA-N	-2	0	353.400	1.555	50	0		FDAARL
Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1[C@H]1CCOC1	ZINC000451097752	682817014	/nfs/dbraw/zinc/81/70/14/682817014.db2.gz	FHFUEVAPVGJLLR-LBPRGKRZSA-N	-2	0	365.411	1.960	50	0		FDAARL
CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC	ZINC000274386388	181082846	/nfs/dbraw/zinc/08/28/46/181082846.db2.gz	BJNWYPFUBQYLGS-UHFFFAOYSA-N	-2	0	355.372	1.419	50	0		FDAARL
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000002579058	204045693	/nfs/dbraw/zinc/04/56/93/204045693.db2.gz	DHOZTIJMCYMTMJ-LBPRGKRZSA-N	-2	0	366.395	1.112	50	0		FDAARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1cc(C(=O)[O-])cc(C(=O)[O-])c1)C2=O	ZINC000001233556	518228844	/nfs/dbraw/zinc/22/88/44/518228844.db2.gz	ZCUTYLSQFUTKEX-UHFFFAOYSA-N	-3	0	355.258	1.582	50	0		FDAARL
O=C([O-])CCc1nnc(S[C@@H]2CCc3ccccc3NC2=O)[n-]c1=O	ZINC000020724544	518857865	/nfs/dbraw/zinc/85/78/65/518857865.db2.gz	SJHCJESRUUJJNZ-GFCCVEGCSA-N	-2	0	360.395	1.228	50	0		FDAARL
O=C([O-])c1cc(NC(=O)CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000071770621	522132985	/nfs/dbraw/zinc/13/29/85/522132985.db2.gz	MLCMLUXWKDLUPU-UHFFFAOYSA-N	-2	0	374.305	1.462	50	0		FDAARL
COc1cc(OC)c(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c(C(=O)[O-])c1	ZINC000095531007	525107123	/nfs/dbraw/zinc/10/71/23/525107123.db2.gz	WOUVNQWMJIRGMF-AWEZNQCLSA-N	-2	0	361.354	1.137	50	0		FDAARL
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccn(Cc2ccc(C(=O)[O-])cc2)n1	ZINC000036617522	205017193	/nfs/dbraw/zinc/01/71/93/205017193.db2.gz	GTMGDTPOFBGSIJ-UHFFFAOYSA-N	-2	0	369.337	1.314	50	0		FDAARL
COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)nn(CC(=O)[O-])c1C	ZINC000055272037	205212697	/nfs/dbraw/zinc/21/26/97/205212697.db2.gz	OGFKXOVHCVCZSI-UHFFFAOYSA-N	-2	0	373.412	1.233	50	0		FDAARL
O=C([O-])CCc1cc2n(n1)CCCN(Cc1nc(=O)c3sccc3[n-]1)C2	ZINC000072421761	522253141	/nfs/dbraw/zinc/25/31/41/522253141.db2.gz	FWINSWKTQHYHKZ-UHFFFAOYSA-N	-2	0	373.438	1.604	50	0		FDAARL
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1	ZINC000097144258	525175460	/nfs/dbraw/zinc/17/54/60/525175460.db2.gz	RLTAQZSTMYDOIO-UHFFFAOYSA-N	-2	0	365.363	1.986	50	0		FDAARL
COCCCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2cccc(OC)c2)C1=O	ZINC000101377373	525220735	/nfs/dbraw/zinc/22/07/35/525220735.db2.gz	GZNOAXBSPBUTHO-KAAZQUNHSA-N	-2	0	360.366	1.635	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000245232638	537655798	/nfs/dbraw/zinc/65/57/98/537655798.db2.gz	YXNBHSFRFDRSLQ-XJFOESAGSA-N	-2	0	368.430	1.001	50	0		FDAARL
COc1ccc(NC(=O)COc2ccccc2P(=O)([O-])[O-])c(OC)c1	ZINC000009306001	204362290	/nfs/dbraw/zinc/36/22/90/204362290.db2.gz	DAIJIZTXIKELLE-UHFFFAOYSA-N	-2	0	367.294	1.524	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1	ZINC000000669334	518217369	/nfs/dbraw/zinc/21/73/69/518217369.db2.gz	IFINTIYSNQGZQD-UONOGXRCSA-N	-2	0	366.395	1.117	50	0		FDAARL
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000004089137	204120131	/nfs/dbraw/zinc/12/01/31/204120131.db2.gz	VEKOJSRNQVRNOJ-IRXDYDNUSA-N	-2	0	368.389	1.903	50	0	biogenic	FDAARL
O=C([O-])[C@H](CCCCCC[P@](=O)([O-])O)NC(=O)Cc1ccccc1	ZINC000004029317	206163527	/nfs/dbraw/zinc/16/35/27/206163527.db2.gz	HBUPUMASTIWYOX-AWEZNQCLSA-N	-2	0	357.343	1.927	50	0	biogenic	FDAARL
O=C([O-])c1cc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])nc2ccccc21	ZINC000095367542	132208314	/nfs/dbraw/zinc/20/83/14/132208314.db2.gz	HJETZZARIKFLRB-CYBMUJFWSA-N	-2	0	369.377	1.493	50	0		FDAARL
Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1[C@@H]1CCOC1	ZINC000451097751	682816887	/nfs/dbraw/zinc/81/68/87/682816887.db2.gz	FHFUEVAPVGJLLR-GFCCVEGCSA-N	-2	0	365.411	1.960	50	0		FDAARL
CCCc1c(C)c2c(OCC(=O)[O-])cc(OCC(=O)[O-])cc2oc1=O	ZINC000000082754	203932715	/nfs/dbraw/zinc/93/27/15/203932715.db2.gz	GUBFXVYRCMOFLY-UHFFFAOYSA-N	-2	0	350.323	1.981	50	0	biogenic	FDAARL
CC(C)(C)OC(=O)N(C(=O)c1ccc(N)cc1)[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002541730	204043618	/nfs/dbraw/zinc/04/36/18/204043618.db2.gz	VHRBJNXZFGUZQI-LBPRGKRZSA-N	-2	0	366.370	1.964	50	0		FDAARL
O=C([O-])CCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O	ZINC000004670566	204153446	/nfs/dbraw/zinc/15/34/46/204153446.db2.gz	ILUSXYUQGUSSDY-UHFFFAOYSA-N	-2	0	367.313	1.687	50	0		FDAARL
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000030836182	519395217	/nfs/dbraw/zinc/39/52/17/519395217.db2.gz	DHOZTIJMCYMTMJ-GFCCVEGCSA-N	-2	0	366.395	1.112	50	0		FDAARL
Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000072313019	522212964	/nfs/dbraw/zinc/21/29/64/522212964.db2.gz	MXFMIKUVEMJZKX-UHFFFAOYSA-N	-2	0	374.378	1.687	50	0		FDAARL
Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1[C@H]1CCOC1	ZINC000451100497	538186475	/nfs/dbraw/zinc/18/64/75/538186475.db2.gz	UURJOARJXSTKQS-NSHDSACASA-N	-2	0	369.374	1.791	50	0		FDAARL
Cc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1C(=O)[O-]	ZINC000484799875	538805839	/nfs/dbraw/zinc/80/58/39/538805839.db2.gz	UDXHWFKAHOWJLF-LBPRGKRZSA-N	-2	0	351.384	1.652	50	0		FDAARL
O=C([O-])[C@@]12CN(C(=O)c3n[nH]c(=O)[n-]3)C[C@@H]1C[C@@H](c1ccccc1)CC2	ZINC000299788614	571200153	/nfs/dbraw/zinc/20/01/53/571200153.db2.gz	YOHUVOYVADOSND-LXIYXOSZSA-N	-2	0	356.382	1.209	50	0		FDAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)c3ccc(F)cc3)c-2c1=O	ZINC000100890503	209219177	/nfs/dbraw/zinc/21/91/77/209219177.db2.gz	LFDVKZGTDCDSIB-ZBFHGGJFSA-N	-2	0	367.336	1.534	50	0		FDAARL
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)[O-])CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359334	208157574	/nfs/dbraw/zinc/15/75/74/208157574.db2.gz	JWWCBAIQTRSAJZ-HNNXBMFYSA-N	-2	0	360.366	1.799	50	0		FDAARL
Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)[O-])CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359335	208158608	/nfs/dbraw/zinc/15/86/08/208158608.db2.gz	JWWCBAIQTRSAJZ-OAHLLOKOSA-N	-2	0	360.366	1.799	50	0		FDAARL
COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1	ZINC000547962040	542501390	/nfs/dbraw/zinc/50/13/90/542501390.db2.gz	XWPYEOTWUCSKSZ-QMMMGPOBSA-N	-2	0	359.429	1.959	50	0		FDAARL
C[C@@H](OC(=O)N=C([O-])C(F)(F)F)[C@@H](C)OC(=O)N=C([O-])C(F)(F)F	ZINC000001805317	518236075	/nfs/dbraw/zinc/23/60/75/518236075.db2.gz	OAEIELZEEGOMSL-QWWZWVQMSA-N	-2	0	368.186	1.394	50	0		FDAARL
COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1C	ZINC000463381794	684686994	/nfs/dbraw/zinc/68/69/94/684686994.db2.gz	PETUBWOUWLXURS-UHFFFAOYSA-N	-2	0	357.363	1.742	50	0		FDAARL
CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1	ZINC000539196097	540932581	/nfs/dbraw/zinc/93/25/81/540932581.db2.gz	LHFORADJIOJMGD-UHFFFAOYSA-N	-2	0	351.384	1.758	50	0		FDAARL
Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000001184489	206866273	/nfs/dbraw/zinc/86/62/73/206866273.db2.gz	RHAVMTZEXTUZCH-SNAWJCMRSA-N	-2	0	353.396	1.578	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000004349677	207014887	/nfs/dbraw/zinc/01/48/87/207014887.db2.gz	YXNBHSFRFDRSLQ-LVEBTZEWSA-N	-2	0	368.430	1.001	50	0		FDAARL
Cc1cccc(C)c1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)[n-]1	ZINC000022909446	518919898	/nfs/dbraw/zinc/91/98/98/518919898.db2.gz	AXMFVAAHWCEPAC-UHFFFAOYSA-N	-2	0	362.411	1.942	50	0		FDAARL
CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000023805380	518967605	/nfs/dbraw/zinc/96/76/05/518967605.db2.gz	KTUBWPVCJPXTQF-UHFFFAOYSA-N	-2	0	354.409	1.997	50	0		FDAARL
Cn1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1	ZINC000127109798	570618384	/nfs/dbraw/zinc/61/83/84/570618384.db2.gz	WWNVLYHBAVEHJL-UHFFFAOYSA-N	-2	0	352.159	1.016	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000005068074	207079506	/nfs/dbraw/zinc/07/95/06/207079506.db2.gz	OVBANGPEBYGADX-WPRPVWTQSA-N	-2	0	371.136	1.377	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1	ZINC000000669336	518218220	/nfs/dbraw/zinc/21/82/20/518218220.db2.gz	IFINTIYSNQGZQD-ZIAGYGMSSA-N	-2	0	366.395	1.117	50	0		FDAARL
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(C)c1C	ZINC000012532608	518618353	/nfs/dbraw/zinc/61/83/53/518618353.db2.gz	TUTLGKSLRHAIPM-SOFGYWHQSA-N	-2	0	365.411	1.944	50	0		FDAARL
COC(=O)c1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000089587147	524512011	/nfs/dbraw/zinc/51/20/11/524512011.db2.gz	DBOOAOGWXODMQL-UHFFFAOYSA-N	-2	0	364.379	1.984	50	0		FDAARL
O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000239351873	537644760	/nfs/dbraw/zinc/64/47/60/537644760.db2.gz	AAGHZVVNJWXWSZ-UHFFFAOYSA-N	-2	0	367.774	1.115	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000245232637	209914579	/nfs/dbraw/zinc/91/45/79/209914579.db2.gz	YXNBHSFRFDRSLQ-XDQVBPFNSA-N	-2	0	368.430	1.001	50	0		FDAARL
O=C([O-])Cc1csc(NC(=O)CSc2cccc(C(=O)[O-])n2)n1	ZINC000004336728	207016123	/nfs/dbraw/zinc/01/61/23/207016123.db2.gz	UNXKWVOZOGZUGD-UHFFFAOYSA-N	-2	0	353.381	1.594	50	0		FDAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1ccc2c(c1)OCCO2	ZINC000009530929	207276032	/nfs/dbraw/zinc/27/60/32/207276032.db2.gz	JNQDTOHWLOEOFF-UHFFFAOYSA-N	-2	0	365.278	1.278	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000001088058	518227669	/nfs/dbraw/zinc/22/76/69/518227669.db2.gz	SPCVBORNGIRJOU-KBPBESRZSA-N	-2	0	368.411	1.341	50	0		FDAARL
Cn1ncc(C(=O)[O-])c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000020616439	518855905	/nfs/dbraw/zinc/85/59/05/518855905.db2.gz	UNEHVPPEICCZJU-CYBMUJFWSA-N	-2	0	356.338	1.025	50	0		FDAARL
O=C([O-])C[C@H](NC(=O)N1CCC(Oc2ccccc2F)CC1)C(=O)[O-]	ZINC000426668453	538120994	/nfs/dbraw/zinc/12/09/94/538120994.db2.gz	SKPGSBONNXPFGY-LBPRGKRZSA-N	-2	0	354.334	1.306	50	0		FDAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(CCF)c2)cc2c1OCCO2	ZINC000629320545	557763145	/nfs/dbraw/zinc/76/31/45/557763145.db2.gz	JNORQXFMDPJZQY-UHFFFAOYSA-N	-2	0	371.346	1.123	50	0		FDAARL
CCOC(=O)C(N=Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1)C(=O)CCl	ZINC000245267766	568049808	/nfs/dbraw/zinc/04/98/08/568049808.db2.gz	MDUFQCBIZBTXEW-UHFFFAOYSA-N	-2	0	356.718	1.222	50	0		FDAARL
COc1cc(C=CC([O-])=C2C(=O)[N-]C(=O)N(C)C2=O)cc(OC)c1OC	ZINC000101390045	209224795	/nfs/dbraw/zinc/22/47/95/209224795.db2.gz	HUWQHPIHVRETFR-KWQUGSDZSA-N	-2	0	362.338	1.246	50	0		FDAARL
Cc1ccc(S(=O)(=O)[N-]C(=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000006404581	207139548	/nfs/dbraw/zinc/13/95/48/207139548.db2.gz	NYAIMTPQKHAJGZ-UHFFFAOYSA-N	-2	0	359.359	1.926	50	0		FDAARL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000044667918	208317114	/nfs/dbraw/zinc/31/71/14/208317114.db2.gz	SZKVUYXULVMBFX-UHFFFAOYSA-N	-2	0	369.424	1.345	50	0		FDAARL
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-]	ZINC000000167142	518216624	/nfs/dbraw/zinc/21/66/24/518216624.db2.gz	XSHDFSVVLUVNJI-UHFFFAOYSA-N	-2	0	351.336	1.892	50	0	biogenic	FDAARL
Nc1ccc(/C=C\c2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000012339511	518606495	/nfs/dbraw/zinc/60/64/95/518606495.db2.gz	REJHVSOVQBJEBF-UPHRSURJSA-N	-2	0	370.408	1.515	50	0		FDAARL
Cc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)cc1C	ZINC000016777379	518769951	/nfs/dbraw/zinc/76/99/51/518769951.db2.gz	ITCJWFBGQIPNJS-UHFFFAOYSA-N	-2	0	362.411	1.942	50	0		FDAARL
Cc1cc(Br)c([O-])c(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000072311594	522212606	/nfs/dbraw/zinc/21/26/06/522212606.db2.gz	KMUJNGYXSMGSQQ-UHFFFAOYSA-N	-2	0	355.192	1.237	50	0		FDAARL
COC(=O)c1[n-]c(=NC(=O)c2cc(=O)c(OC)c[n-]2)sc1C(C)C	ZINC000072405218	522233527	/nfs/dbraw/zinc/23/35/27/522233527.db2.gz	JWNUUJGHMCEDEV-UHFFFAOYSA-N	-2	0	351.384	2.002	50	0		FDAARL
O=C([O-])C[C@]1(C(=O)[O-])CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1O	ZINC000096318897	525159751	/nfs/dbraw/zinc/15/97/51/525159751.db2.gz	YEBVCWDLKFOAJG-BONVTDFDSA-N	-2	0	367.404	1.925	50	0		FDAARL
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000004001825	209407075	/nfs/dbraw/zinc/40/70/75/209407075.db2.gz	OFNGOHMZGXYKOY-UHFFFAOYSA-N	-2	0	351.336	1.678	50	0		FDAARL
O=C(c1[n-][n-]c2c(O)n(-c3cccc(F)c3)c(=O)c1-2)c1ccc(F)cc1	ZINC000016034590	220176252	/nfs/dbraw/zinc/17/62/52/220176252.db2.gz	SERFCXSORSKGPN-HIFRSBDPSA-N	-2	0	355.300	1.665	50	0		FDAARL
O=C([O-])c1cc(NC(=O)CSc2nnc3ccccn32)cc(C(=O)[O-])c1	ZINC000001811793	206895687	/nfs/dbraw/zinc/89/56/87/206895687.db2.gz	HMTVUIWBULBEJD-UHFFFAOYSA-N	-2	0	372.362	1.857	50	0		FDAARL
CC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002112725	518237704	/nfs/dbraw/zinc/23/77/04/518237704.db2.gz	TWMYLEWXZNZDAE-NSHDSACASA-N	-2	0	353.758	1.982	50	0	biogenic	FDAARL
Cc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1[C@@H]1CCOC1	ZINC000451098181	682817129	/nfs/dbraw/zinc/81/71/29/682817129.db2.gz	GTSSUEVSDZKGJL-GFCCVEGCSA-N	-2	0	369.374	1.791	50	0		FDAARL
COc1cc(Cl)cc(CNCc2n[nH]c(=O)[n-]2)c1O[C@H](C)C(=O)[O-]	ZINC000952972401	960265629	/nfs/dbraw/zinc/26/56/29/960265629.db2.gz	PFPKMDMGACCLQH-SSDOTTSWSA-N	-2	0	356.766	1.314	50	0		FDAARL
O=C([O-])[C@@H]1C2CCC(c3ccccc3)([C@@H]1C(=O)[O-])[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000261493187	210007063	/nfs/dbraw/zinc/00/70/63/210007063.db2.gz	AAKFHLIPXMYSBQ-ZQZTUKAOSA-N	-4	0	362.334	1.151	50	0		FDAARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1Sc1n[nH]c(=O)[n-]c1=O	ZINC000000938933	209383383	/nfs/dbraw/zinc/38/33/83/209383383.db2.gz	ZRPYCYDHNFSJHQ-UHFFFAOYSA-N	-2	0	351.775	1.050	50	0		FDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCCC(=O)[O-]	ZINC000002113399	518238656	/nfs/dbraw/zinc/23/86/56/518238656.db2.gz	FGZQNHTYQBQYKR-UHFFFAOYSA-N	-2	0	353.758	1.984	50	0	biogenic	FDAARL
Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1	ZINC000284936385	675767885	/nfs/dbraw/zinc/76/78/85/675767885.db2.gz	AXHWLQGUTLAKIT-UHFFFAOYSA-N	-2	0	351.384	1.577	50	0		FDAARL
O=C([O-])c1ccc([C@H]2CCCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)cc1	ZINC000095372659	1013830310	/nfs/dbraw/zinc/83/03/10/1013830310.db2.gz	MTEAFWJNZRJICE-ZDUSSCGKSA-N	-2	0	357.366	1.122	50	0		FDAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)c3ccc(F)cc3)c-2c1=O	ZINC000006762546	207162444	/nfs/dbraw/zinc/16/24/44/207162444.db2.gz	LFDVKZGTDCDSIB-GDBMZVCRSA-N	-2	0	367.336	1.534	50	0		FDAARL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-]	ZINC000036359383	208158335	/nfs/dbraw/zinc/15/83/35/208158335.db2.gz	WISUTMVDSTWGNS-KRWDZBQOSA-N	-2	0	362.382	1.583	50	0		FDAARL
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)cc1	ZINC000095372658	1013829909	/nfs/dbraw/zinc/82/99/09/1013829909.db2.gz	MTEAFWJNZRJICE-CYBMUJFWSA-N	-2	0	357.366	1.122	50	0		FDAARL
O=C([O-])CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000003623838	518278306	/nfs/dbraw/zinc/27/83/06/518278306.db2.gz	DVFXNNPVRLQELO-VIFPVBQESA-N	-2	0	350.154	1.806	50	0		FDAARL
O=C([O-])[C@@H](CCCCCC[P@](=O)([O-])O)NC(=O)Cc1ccccc1	ZINC000004029318	518282608	/nfs/dbraw/zinc/28/26/08/518282608.db2.gz	HBUPUMASTIWYOX-CQSZACIVSA-N	-2	0	357.343	1.927	50	0	biogenic	FDAARL
Cc1cc(C)cc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)c1	ZINC000004317165	518294345	/nfs/dbraw/zinc/29/43/45/518294345.db2.gz	UXCQILBKTCBNQH-UHFFFAOYSA-N	-2	0	362.411	1.530	50	0		FDAARL
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)[O-])cc2)c1C	ZINC000004514878	518301162	/nfs/dbraw/zinc/30/11/62/518301162.db2.gz	WKHJLAGVWZFMOE-FPLPWBNLSA-N	-2	0	365.367	1.672	50	0		FDAARL
COC(=O)c1sc(=NC(=O)c2c[n-]c3c(F)cccc3c2=O)[n-]c1C	ZINC000079482321	523755265	/nfs/dbraw/zinc/75/52/65/523755265.db2.gz	ZEDCQEPMSWPVAA-UHFFFAOYSA-N	-2	0	361.354	2.471	50	0		FDAARL
COc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)[O-])c1	ZINC000507630393	688656369	/nfs/dbraw/zinc/65/63/69/688656369.db2.gz	PWMVLONLXJEEKL-UHFFFAOYSA-N	-2	0	357.365	1.954	50	0		FDAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(F)cc2)[n-]c1=O	ZINC000016806858	211170289	/nfs/dbraw/zinc/17/02/89/211170289.db2.gz	OKHBSRKHSYEBCU-UHFFFAOYSA-N	-2	0	352.347	1.464	50	0		FDAARL
O=C([O-])CCNC(=O)c1cccc2c(C(=O)NCCC(=O)[O-])cccc12	ZINC000004964613	518322298	/nfs/dbraw/zinc/32/22/98/518322298.db2.gz	FDBXGSXNFKZNER-UHFFFAOYSA-N	-2	0	358.350	1.249	50	0		FDAARL
Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C(N)=O	ZINC000047318133	522495027	/nfs/dbraw/zinc/49/50/27/522495027.db2.gz	NGAOOBKZZBGLIH-UHFFFAOYSA-N	-2	0	357.775	1.276	50	0		FDAARL
Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cnn1C	ZINC000291951425	537693072	/nfs/dbraw/zinc/69/30/72/537693072.db2.gz	QOEYTTMZBCHPJA-UHFFFAOYSA-N	-2	0	351.384	1.577	50	0		FDAARL
COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=S)n(C)c2=O)=NN1C(C)=O	ZINC000101764485	222283053	/nfs/dbraw/zinc/28/30/53/222283053.db2.gz	KYUWBEYRBKDCNB-GFCCVEGCSA-N	-2	0	374.422	1.855	50	0		FDAARL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-]	ZINC000036359384	519621600	/nfs/dbraw/zinc/62/16/00/519621600.db2.gz	WISUTMVDSTWGNS-QGZVFWFLSA-N	-2	0	362.382	1.583	50	0		FDAARL
Cc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)c1C	ZINC000016777381	211168407	/nfs/dbraw/zinc/16/84/07/211168407.db2.gz	DUPUZDWNBLVWMK-UHFFFAOYSA-N	-2	0	362.411	1.942	50	0		FDAARL
Cc1cnn(C2(C(=O)[O-])CCN(c3nc4c(cc3C(=O)[O-])CCC4)CC2)c1	ZINC000072426290	136146512	/nfs/dbraw/zinc/14/65/12/136146512.db2.gz	GTWFCKIHQVZLBT-UHFFFAOYSA-N	-2	0	370.409	1.854	50	0		FDAARL
O=C([O-])C[C@]1(C(=O)[O-])CSc2[nH]c(=O)sc2[C@H]1c1ccccc1O	ZINC000096318896	222114300	/nfs/dbraw/zinc/11/43/00/222114300.db2.gz	YEBVCWDLKFOAJG-BMIGLBTASA-N	-2	0	367.404	1.925	50	0		FDAARL
COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)c1	ZINC000101763363	222284344	/nfs/dbraw/zinc/28/43/44/222284344.db2.gz	HONNARIPOCCKTR-SNVBAGLBSA-N	-2	0	362.411	1.604	50	0		FDAARL
CCc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)c1	ZINC000004317147	518295019	/nfs/dbraw/zinc/29/50/19/518295019.db2.gz	YAKUTZWPMNVGIF-UHFFFAOYSA-N	-2	0	362.411	1.475	50	0		FDAARL
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000004738527	518311112	/nfs/dbraw/zinc/31/11/12/518311112.db2.gz	DKCQIJRZQYNLCI-IZZDOVSWSA-N	-2	0	358.306	1.746	50	0		FDAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)[n-]c1=O	ZINC000016777409	211167833	/nfs/dbraw/zinc/16/78/33/211167833.db2.gz	NQDNBGLXJWWWCH-UHFFFAOYSA-N	-2	0	368.802	1.979	50	0		FDAARL
O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001699070	210366259	/nfs/dbraw/zinc/36/62/59/210366259.db2.gz	ALXRUJOUFGNSHT-AATRIKPKSA-N	-2	0	353.381	1.523	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000101016546	222258808	/nfs/dbraw/zinc/25/88/08/222258808.db2.gz	OVBANGPEBYGADX-PSASIEDQSA-N	-2	0	371.136	1.377	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000101023618	222260676	/nfs/dbraw/zinc/26/06/76/222260676.db2.gz	MNHNNZZJJRVKLE-PSASIEDQSA-N	-2	0	371.136	1.377	50	0		FDAARL
CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)[O-])[n-]c2=O)cc1	ZINC000005082076	518329199	/nfs/dbraw/zinc/32/91/99/518329199.db2.gz	KKJLRMBTUVBXIG-UHFFFAOYSA-N	-2	0	364.383	1.180	50	0		FDAARL
Cc1cc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)cc(C(=O)[O-])c1C	ZINC000079107645	523705010	/nfs/dbraw/zinc/70/50/10/523705010.db2.gz	KLTSRCNFWZXYJP-UHFFFAOYSA-N	-2	0	373.394	1.778	50	0		FDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000252639030	537250942	/nfs/dbraw/zinc/25/09/42/537250942.db2.gz	YHLJEUKQNRTOIJ-UHFFFAOYSA-N	-2	0	362.349	1.407	50	0		FDAARL
Cc1ccc(C)c(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)c1	ZINC000022909463	211368330	/nfs/dbraw/zinc/36/83/30/211368330.db2.gz	UEJYRYOJILHSSE-UHFFFAOYSA-N	-2	0	362.411	1.942	50	0		FDAARL
COCCn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cn1	ZINC000270051458	674159851	/nfs/dbraw/zinc/15/98/51/674159851.db2.gz	HUDGQSMIHJQOOR-UHFFFAOYSA-N	-2	0	357.363	1.476	50	0		FDAARL
O=S(=O)([O-])c1cc2cccnc2c([O-])c1I	ZINC000005799614	518355853	/nfs/dbraw/zinc/35/58/53/518355853.db2.gz	ZMUMAXFIUNXXFP-UHFFFAOYSA-N	-2	0	351.121	1.792	50	0		FDAARL
O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)c1ccc(C(=O)[O-])cc1)CC2	ZINC000092022825	524831054	/nfs/dbraw/zinc/83/10/54/524831054.db2.gz	GKKLEMNLHVWJHS-UHFFFAOYSA-N	-2	0	374.393	1.314	50	0		FDAARL
COCCn1nc(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C	ZINC000267535719	601234396	/nfs/dbraw/zinc/23/43/96/601234396.db2.gz	VMVAQWJGFABBKL-UHFFFAOYSA-N	-2	0	359.429	1.707	50	0		FDAARL
O=C([O-])/C=C/C(=O)Nc1cccc2c(NC(=O)/C=C/C(=O)[O-])cccc12	ZINC000000754093	210268052	/nfs/dbraw/zinc/26/80/52/210268052.db2.gz	HPIVDRLTGFUGCE-FIFLTTCUSA-N	-2	0	354.318	1.998	50	0		FDAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1ccc2c(c1)OCO2	ZINC000013548597	211039848	/nfs/dbraw/zinc/03/98/48/211039848.db2.gz	WXNQEXHYGIPCHF-UHFFFAOYSA-N	-2	0	351.251	1.236	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000101023619	222260456	/nfs/dbraw/zinc/26/04/56/222260456.db2.gz	MNHNNZZJJRVKLE-SCZZXKLOSA-N	-2	0	371.136	1.377	50	0		FDAARL
O=C([O-])[C@H]1CSC(c2nc3ccc(OP(=O)([O-])[O-])cc3s2)=N1	ZINC000004521650	518302417	/nfs/dbraw/zinc/30/24/17/518302417.db2.gz	ATNLDURWXISHKQ-SSDOTTSWSA-N	-3	0	360.309	1.714	50	0		FDAARL
O=C([O-])c1csc(CCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n1	ZINC000216931096	537452022	/nfs/dbraw/zinc/45/20/22/537452022.db2.gz	RIXQHCIXGHCDRL-UHFFFAOYSA-N	-2	0	358.379	1.293	50	0		FDAARL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1	ZINC000285111057	537610103	/nfs/dbraw/zinc/61/01/03/537610103.db2.gz	OQWNUGUTKJSFAF-UHFFFAOYSA-N	-2	0	351.384	1.484	50	0		FDAARL
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000000167151	219304565	/nfs/dbraw/zinc/30/45/65/219304565.db2.gz	ZEHAKLTWZCTNKN-UHFFFAOYSA-N	-2	0	351.336	1.892	50	0	biogenic	FDAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccccn2c1=O	ZINC000096115374	222030996	/nfs/dbraw/zinc/03/09/96/222030996.db2.gz	FUGIQKGIOLDHOG-ZDUSSCGKSA-N	-2	0	368.345	1.793	50	0	biogenic	FDAARL
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(C)c1C	ZINC000096859303	222135648	/nfs/dbraw/zinc/13/56/48/222135648.db2.gz	TUTLGKSLRHAIPM-VURMDHGXSA-N	-2	0	365.411	1.944	50	0		FDAARL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1	ZINC000075126777	522882693	/nfs/dbraw/zinc/88/26/93/522882693.db2.gz	NHXLGXYYIZQIOI-UHFFFAOYSA-N	-2	0	364.379	1.979	50	0		FDAARL
COC[C@H](C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000489023833	538784502	/nfs/dbraw/zinc/78/45/02/538784502.db2.gz	QDDRPPPKNHAHLX-VIFPVBQESA-N	-2	0	357.363	1.729	50	0		FDAARL
Cn1ncc(C(=O)[O-])c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000020616438	220336602	/nfs/dbraw/zinc/33/66/02/220336602.db2.gz	UNEHVPPEICCZJU-ZDUSSCGKSA-N	-2	0	356.338	1.025	50	0		FDAARL
O=C([O-])c1ccc(C(=O)c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000001995075	518236718	/nfs/dbraw/zinc/23/67/18/518236718.db2.gz	UITKHKNFVCYWNG-UHFFFAOYSA-N	-4	0	358.258	1.710	50	0		FDAARL
Cc1cc(-c2cc(C)c(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1N	ZINC000001669771	219414899	/nfs/dbraw/zinc/41/48/99/219414899.db2.gz	PHICKPBIPXXFIP-UHFFFAOYSA-N	-2	0	372.424	1.628	50	0		FDAARL
Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1	ZINC000001854808	219420076	/nfs/dbraw/zinc/42/00/76/219420076.db2.gz	FZMKKCQHDROFNI-UHFFFAOYSA-N	-2	0	350.356	1.302	50	0	in-vitro	FDAARL
CCc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)cc1	ZINC000016806865	220194855	/nfs/dbraw/zinc/19/48/55/220194855.db2.gz	CVVRXZCFZQZZPW-UHFFFAOYSA-N	-2	0	362.411	1.888	50	0		FDAARL
CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)CCc1cc(=O)[n-]o1)C2	ZINC000067855785	221296751	/nfs/dbraw/zinc/29/67/51/221296751.db2.gz	FARCVMIGPATKMH-UHFFFAOYSA-N	-2	0	362.386	1.448	50	0		FDAARL
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001545269	518232591	/nfs/dbraw/zinc/23/25/91/518232591.db2.gz	YONLFQNRGZXBBF-ZIAGYGMSSA-N	-2	0	358.302	1.607	50	0	in-vitro	FDAARL
NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000032096900	519483570	/nfs/dbraw/zinc/48/35/70/519483570.db2.gz	QUUXCXYFXISBQU-UHFFFAOYSA-N	-2	0	368.798	1.867	50	0		FDAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)ccc1F	ZINC000096123415	525136221	/nfs/dbraw/zinc/13/62/21/525136221.db2.gz	JMJXRUNUKWTAGZ-UHFFFAOYSA-N	-2	0	369.374	1.873	50	0		FDAARL
COc1nn(C)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000473472206	685298343	/nfs/dbraw/zinc/29/83/43/685298343.db2.gz	POWHIQZLVHGDSK-UHFFFAOYSA-N	-2	0	367.427	1.782	50	0		FDAARL
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000031667623	519454239	/nfs/dbraw/zinc/45/42/39/519454239.db2.gz	MHNQCLVDGCQLNI-UHFFFAOYSA-N	-2	0	364.379	1.559	50	0		FDAARL
COC(=O)c1sc(=NC(=O)c2c[n-]c3ccc(F)cc3c2=O)[n-]c1C	ZINC000079493938	523757927	/nfs/dbraw/zinc/75/79/27/523757927.db2.gz	UWSNIPVHPGBBSZ-UHFFFAOYSA-N	-2	0	361.354	2.471	50	0		FDAARL
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C1	ZINC000091469020	524710148	/nfs/dbraw/zinc/71/01/48/524710148.db2.gz	KHXSFCCGCVXIPJ-LJQANCHMSA-N	-2	0	373.409	1.850	50	0		FDAARL
Cc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1[C@H]1CCOC1	ZINC000451098186	682817052	/nfs/dbraw/zinc/81/70/52/682817052.db2.gz	GTSSUEVSDZKGJL-LBPRGKRZSA-N	-2	0	369.374	1.791	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000101022881	222261036	/nfs/dbraw/zinc/26/10/36/222261036.db2.gz	ADBHLWJITZEUHY-OIBJUYFYSA-N	-2	0	371.136	1.377	50	0		FDAARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1C(=O)[O-])C2=O	ZINC000005019934	518327236	/nfs/dbraw/zinc/32/72/36/518327236.db2.gz	BQDDXRACYUBOJG-UHFFFAOYSA-N	-3	0	355.258	1.582	50	0		FDAARL
O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000079045061	523692509	/nfs/dbraw/zinc/69/25/09/523692509.db2.gz	SDXGHATZLQHWPT-UHFFFAOYSA-N	-2	0	365.363	1.908	50	0		FDAARL
CCC[C@@H]1CN(C(=O)c2cn(C(C)C)cc(C(=O)[O-])c2=O)C[C@H]1C(=O)[O-]	ZINC000091486336	524715397	/nfs/dbraw/zinc/71/53/97/524715397.db2.gz	SHZDRPZGBMMCEI-VXGBXAGGSA-N	-2	0	364.398	1.700	50	0		FDAARL
O=C([O-])C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004040674	219536781	/nfs/dbraw/zinc/53/67/81/219536781.db2.gz	MTYPLLWVQYHCDM-CQSZACIVSA-N	-2	0	356.334	1.597	50	0	biogenic	FDAARL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(C(=O)c4cccs4)=NOC3=C2[O-])cc1	ZINC000100354882	222241740	/nfs/dbraw/zinc/24/17/40/222241740.db2.gz	GJHVRLAYNRBRSD-BXUZGUMPSA-N	-2	0	370.342	1.573	50	0		FDAARL
COCCCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2ccc3c(c2)OCO3)C1=O	ZINC000101383264	222273309	/nfs/dbraw/zinc/27/33/09/222273309.db2.gz	VAICUKUFHQZEGC-ALFMNPPXSA-N	-2	0	374.349	1.356	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000000669340	219311591	/nfs/dbraw/zinc/31/15/91/219311591.db2.gz	IFINTIYSNQGZQD-KGLIPLIRSA-N	-2	0	366.395	1.117	50	0		FDAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1F	ZINC000269719094	180370532	/nfs/dbraw/zinc/37/05/32/180370532.db2.gz	TXERNWRATHXSTE-SNVBAGLBSA-N	-2	0	355.347	1.483	50	0		FDAARL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000055403227	221069592	/nfs/dbraw/zinc/06/95/92/221069592.db2.gz	AOOQOEANSHQTPB-UHFFFAOYSA-N	-2	0	360.395	1.934	50	0		FDAARL
COC(=O)c1cc(NCCC(=O)[O-])c(C(=O)OC)cc1NCCC(=O)[O-]	ZINC000002024211	518236044	/nfs/dbraw/zinc/23/60/44/518236044.db2.gz	GXMSZZCWJJFFGU-UHFFFAOYSA-N	-2	0	368.342	1.033	50	0		FDAARL
O=C([O-])c1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc(C(=O)[O-])c1	ZINC000004474066	518298518	/nfs/dbraw/zinc/29/85/18/518298518.db2.gz	JBUPMMZALFLJOJ-UHFFFAOYSA-N	-2	0	368.301	1.318	50	0		FDAARL
O=S(=O)([N-][N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1	ZINC000008987553	518493087	/nfs/dbraw/zinc/49/30/87/518493087.db2.gz	SJOJIRXXTNSPJK-UHFFFAOYSA-N	-2	0	352.437	1.347	50	0		FDAARL
O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCOCC3)c2c1	ZINC000031809801	519464299	/nfs/dbraw/zinc/46/42/99/519464299.db2.gz	ALFNROFHRDMUBC-IDOMTICXSA-N	-2	0	373.365	1.205	50	0		FDAARL
Cc1nn(CCC(=O)[O-])c(C)c1[C@H](CC(=O)[O-])c1c(O)cc(C)[nH]c1=O	ZINC000095475798	525075997	/nfs/dbraw/zinc/07/59/97/525075997.db2.gz	AVEABIPJUMTBLB-NSHDSACASA-N	-2	0	363.370	1.284	50	0		FDAARL
Cc1cc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc(C(=O)[O-])c1C	ZINC000443449986	682300837	/nfs/dbraw/zinc/30/08/37/682300837.db2.gz	BYIVQRNKYKYOGP-UHFFFAOYSA-N	-2	0	350.400	1.658	50	0		FDAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)no1	ZINC000016481384	220185255	/nfs/dbraw/zinc/18/52/55/220185255.db2.gz	SMQKODKIGHXQLK-UHFFFAOYSA-N	-2	0	367.383	1.977	50	0		FDAARL
O=C([O-])CCc1nnc(S[C@H]2CCc3ccccc3NC2=O)[n-]c1=O	ZINC000020724547	220339302	/nfs/dbraw/zinc/33/93/02/220339302.db2.gz	SJHCJESRUUJJNZ-LBPRGKRZSA-N	-2	0	360.395	1.228	50	0		FDAARL
O=C([O-])c1cc(Br)ccc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000072400572	205526773	/nfs/dbraw/zinc/52/67/73/205526773.db2.gz	UXQBLTZSTFLFMQ-UHFFFAOYSA-N	-2	0	366.127	1.888	50	0		FDAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)cnc1N1CCOCC1	ZINC000035397690	519607346	/nfs/dbraw/zinc/60/73/46/519607346.db2.gz	UVIIMKKQKMQVCC-UHFFFAOYSA-N	-2	0	369.424	1.479	50	0		FDAARL
O=C([O-])C[C@@]1(C(=O)[O-])CSc2[nH]c(=O)sc2[C@H]1c1ccccc1O	ZINC000096318894	525158491	/nfs/dbraw/zinc/15/84/91/525158491.db2.gz	YEBVCWDLKFOAJG-MEBBXXQBSA-N	-2	0	367.404	1.925	50	0		FDAARL
O=C([O-])CNC(=O)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O	ZINC000100073972	525209926	/nfs/dbraw/zinc/20/99/26/525209926.db2.gz	CAOSCCRYLYQBES-UHFFFAOYSA-N	-2	0	352.346	1.570	50	0	in-vitro	FDAARL
CCOc1ccc(S(=O)(=O)[N-]c2cn(C)nc2OC)cc1C(=O)[O-]	ZINC000473486801	685300316	/nfs/dbraw/zinc/30/03/16/685300316.db2.gz	FCDGJQZGCJBSMZ-UHFFFAOYSA-N	-2	0	355.372	1.326	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000000669338	203940011	/nfs/dbraw/zinc/94/00/11/203940011.db2.gz	IFINTIYSNQGZQD-KBPBESRZSA-N	-2	0	366.395	1.117	50	0		FDAARL
CC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002112727	204025674	/nfs/dbraw/zinc/02/56/74/204025674.db2.gz	TWMYLEWXZNZDAE-LLVKDONJSA-N	-2	0	353.758	1.982	50	0	biogenic	FDAARL
Cc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1	ZINC000002746838	204054166	/nfs/dbraw/zinc/05/41/66/204054166.db2.gz	SBLDDYMRFUMKDN-UHFFFAOYSA-N	-2	0	353.381	1.974	50	0		FDAARL
COc1ccc(OC)c(NC(=O)COc2ccccc2P(=O)([O-])[O-])c1	ZINC000009302840	204360378	/nfs/dbraw/zinc/36/03/78/204360378.db2.gz	ZRSQIYJHXGHOBQ-UHFFFAOYSA-N	-2	0	367.294	1.524	50	0	in-vitro	FDAARL
O=C(COc1ccccc1P(=O)([O-])[O-])NCc1ccccc1Cl	ZINC000009419358	204367219	/nfs/dbraw/zinc/36/72/19/204367219.db2.gz	UISAOMNTFZBMQN-UHFFFAOYSA-N	-2	0	355.714	1.838	50	0		FDAARL
Cc1nnc(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[n-]c1=O	ZINC000011903665	518577063	/nfs/dbraw/zinc/57/70/63/518577063.db2.gz	NYCBUIXYYFJJRB-UHFFFAOYSA-N	-2	0	364.412	1.474	50	0		FDAARL
Cc1nn(CCC(=O)[O-])c(C)c1[C@@H](CC(=O)[O-])c1c(O)cc(C)[nH]c1=O	ZINC000095475799	525075501	/nfs/dbraw/zinc/07/55/01/525075501.db2.gz	AVEABIPJUMTBLB-LLVKDONJSA-N	-2	0	363.370	1.284	50	0		FDAARL
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000001926220	206151280	/nfs/dbraw/zinc/15/12/80/206151280.db2.gz	ABULPAYTHZUKQO-UHFFFAOYSA-N	-2	0	351.336	1.614	50	0		FDAARL
O=C([O-])CCCCCNC1=C(Cl)C(=O)N(CCCCCC(=O)[O-])C1=O	ZINC000019703402	206325693	/nfs/dbraw/zinc/32/56/93/206325693.db2.gz	OXEVUIBAIQTMJE-UHFFFAOYSA-N	-2	0	374.821	1.685	50	0	biogenic	FDAARL
Cn1ncc([N-]S(=O)(=O)c2ccc(Br)s2)c1C(=O)[O-]	ZINC000095455632	525072572	/nfs/dbraw/zinc/07/25/72/525072572.db2.gz	FWXJNNRSGSQQGI-UHFFFAOYSA-N	-2	0	366.218	1.743	50	0		FDAARL
O=C([O-])c1ccc(S(=O)(=O)c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000002474434	204040849	/nfs/dbraw/zinc/04/08/49/204040849.db2.gz	PEHMSBKJSXHBLH-UHFFFAOYSA-N	-3	0	350.304	1.614	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000005652275	204219093	/nfs/dbraw/zinc/21/90/93/204219093.db2.gz	BOLXTNXQRYLGMF-UHFFFAOYSA-N	-2	0	360.438	1.374	50	0		FDAARL
COc1ccc(C(=O)c2[n-][n-]c3c(O)n(-c4ccc(C)cc4)c(=O)c2-3)cc1	ZINC000018163582	518794275	/nfs/dbraw/zinc/79/42/75/518794275.db2.gz	REWPTOFOEQDDKY-DOTOQJQBSA-N	-2	0	363.373	1.704	50	0		FDAARL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-]	ZINC000096183024	525147237	/nfs/dbraw/zinc/14/72/37/525147237.db2.gz	QKQZHPHZWPKGCA-CQSZACIVSA-N	-2	0	355.412	1.941	50	0		FDAARL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000504536471	688446501	/nfs/dbraw/zinc/44/65/01/688446501.db2.gz	ODLDWAXTPWJFKD-UHFFFAOYSA-N	-2	0	357.363	1.765	50	0		FDAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000006800759	204271994	/nfs/dbraw/zinc/27/19/94/204271994.db2.gz	FPQPOEASACUIFZ-UHFFFAOYSA-N	-3	0	365.363	1.821	50	0		FDAARL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(C(=O)c4cccs4)=NOC3=C2[O-])cc1	ZINC000100354884	205943535	/nfs/dbraw/zinc/94/35/35/205943535.db2.gz	GJHVRLAYNRBRSD-RISCZKNCSA-N	-2	0	370.342	1.573	50	0		FDAARL
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000012652623	206295211	/nfs/dbraw/zinc/29/52/11/206295211.db2.gz	HDWWISRVSYBJCT-UHFFFAOYSA-N	-2	0	355.393	1.963	50	0		FDAARL
Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000003844586	518279105	/nfs/dbraw/zinc/27/91/05/518279105.db2.gz	REJHVSOVQBJEBF-OWOJBTEDSA-N	-2	0	370.408	1.515	50	0	in-vitro	FDAARL
COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000015013172	518705182	/nfs/dbraw/zinc/70/51/82/518705182.db2.gz	WYPOFYRKBJBACJ-KRXBUXKQSA-N	-2	0	371.143	1.101	50	0		FDAARL
O=C([O-])CCC1(CCC(=O)[O-])CCC(CCC(=O)[O-])(CCC(=O)[O-])C1=O	ZINC000025500780	519065403	/nfs/dbraw/zinc/06/54/03/519065403.db2.gz	JSKOEDSLYAEINT-UHFFFAOYSA-N	-4	0	372.370	1.781	50	0		FDAARL
COc1cccc([C@H]2CNC(=O)c3[nH]c(-c4cc(=O)[nH]cn4)nc3C2)c1	ZINC000102457716	525289612	/nfs/dbraw/zinc/28/96/12/525289612.db2.gz	JWMLHQYZSHOKLB-LLVKDONJSA-N	-2	0	351.366	1.651	50	0		FDAARL
COCCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C	ZINC000268127635	180004257	/nfs/dbraw/zinc/00/42/57/180004257.db2.gz	NLNHVPSQAKZDRY-UHFFFAOYSA-N	-2	0	367.427	1.954	50	0		FDAARL
CCc1ccccc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)[n-]1	ZINC000022909493	518920155	/nfs/dbraw/zinc/92/01/55/518920155.db2.gz	IGZOGSGMBJIARD-UHFFFAOYSA-N	-2	0	362.411	1.888	50	0		FDAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2ccccc2F)[n-]c1=O	ZINC000004317139	204132894	/nfs/dbraw/zinc/13/28/94/204132894.db2.gz	NVMNRLWGIMYOJZ-UHFFFAOYSA-N	-2	0	352.347	1.052	50	0		FDAARL
COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1	ZINC000547962039	542501239	/nfs/dbraw/zinc/50/12/39/542501239.db2.gz	XWPYEOTWUCSKSZ-MRVPVSSYSA-N	-2	0	359.429	1.959	50	0		FDAARL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1	ZINC000011730770	518571368	/nfs/dbraw/zinc/57/13/68/518571368.db2.gz	RTTDXWGPFHEOHK-UHFFFAOYSA-N	-2	0	355.397	1.529	50	0		FDAARL
Cc1cc(N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])nc(-c2ccccc2[O-])n1	ZINC000097766536	525195226	/nfs/dbraw/zinc/19/52/26/525195226.db2.gz	RZPMJCWBQJJYNH-AWEZNQCLSA-N	-2	0	351.366	1.897	50	0		FDAARL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[C@]2(c3ccccc3)CC[C@H]1[C@H](C(=O)[O-])[C@H]2C(=O)[O-]	ZINC000261493184	210007073	/nfs/dbraw/zinc/00/70/73/210007073.db2.gz	AAKFHLIPXMYSBQ-LUFOVYLSSA-N	-4	0	362.334	1.151	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000000538163	206815264	/nfs/dbraw/zinc/81/52/64/206815264.db2.gz	SNWQKAWITMVCQW-UHFFFAOYSA-N	-2	0	362.363	1.462	50	0	world	FDAARL
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000002991824	518256340	/nfs/dbraw/zinc/25/63/40/518256340.db2.gz	MGEVVMKKIZTPCO-BAQGIRSFSA-N	-2	0	371.143	1.101	50	0		FDAARL
Cc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)c(C)c1	ZINC000016806863	518769678	/nfs/dbraw/zinc/76/96/78/518769678.db2.gz	WKGXWDCBJKGQJA-UHFFFAOYSA-N	-2	0	362.411	1.942	50	0		FDAARL
Cn1cc(C(=O)[O-])c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1	ZINC000020616067	518854071	/nfs/dbraw/zinc/85/40/71/518854071.db2.gz	DDIOPJOIRHXWRH-ZDUSSCGKSA-N	-2	0	356.338	1.025	50	0		FDAARL
Cn1cc(C(=O)[O-])c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1	ZINC000020616068	518856210	/nfs/dbraw/zinc/85/62/10/518856210.db2.gz	DDIOPJOIRHXWRH-CYBMUJFWSA-N	-2	0	356.338	1.025	50	0		FDAARL
CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C1	ZINC000091469019	524711099	/nfs/dbraw/zinc/71/10/99/524711099.db2.gz	KHXSFCCGCVXIPJ-IBGZPJMESA-N	-2	0	373.409	1.850	50	0		FDAARL
Cc1cc2nc(CN(C)Cc3nc(=O)c4sccc4[n-]3)cc(=O)n2[n-]1	ZINC000670443463	571349365	/nfs/dbraw/zinc/34/93/65/571349365.db2.gz	KXBMXGJVPHZXKU-UHFFFAOYSA-N	-2	0	356.411	1.673	50	0		FDAARL
O=C([O-])CC[C@H](NC(=O)c1ccc(N2CCCC2)c(Cl)c1)C(=O)[O-]	ZINC000952970729	960265282	/nfs/dbraw/zinc/26/52/82/960265282.db2.gz	PZNFIQCXVSRAGU-LBPRGKRZSA-N	-2	0	354.790	1.988	50	0		FDAARL
CCc1nc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cn1CC1CC1	ZINC000585098136	571320418	/nfs/dbraw/zinc/32/04/18/571320418.db2.gz	MBDPRCGWKKRZLS-UHFFFAOYSA-N	-2	0	353.404	1.088	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000101022878	209220339	/nfs/dbraw/zinc/22/03/39/209220339.db2.gz	ADBHLWJITZEUHY-XCBNKYQSSA-N	-2	0	371.136	1.377	50	0		FDAARL
COCCOc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1C	ZINC000095455631	209053006	/nfs/dbraw/zinc/05/30/06/209053006.db2.gz	JWCGRFIDCGBULV-UHFFFAOYSA-N	-2	0	369.399	1.253	50	0		FDAARL
O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cc(Br)ccc1[O-]	ZINC000014160669	518679374	/nfs/dbraw/zinc/67/93/74/518679374.db2.gz	ZFGZVDKVPWQDQT-UHFFFAOYSA-N	-2	0	362.139	1.311	50	0		FDAARL
O=C([O-])C[C@@]1(C(=O)[O-])CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1O	ZINC000096318895	525158639	/nfs/dbraw/zinc/15/86/39/525158639.db2.gz	YEBVCWDLKFOAJG-ZUZCIYMTSA-N	-2	0	367.404	1.925	50	0		FDAARL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(C)cnn2C)c1OC	ZINC000285248400	675810964	/nfs/dbraw/zinc/81/09/64/675810964.db2.gz	UPIQFRVEPWKDBF-UHFFFAOYSA-N	-2	0	355.372	1.245	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000101016551	209220611	/nfs/dbraw/zinc/22/06/11/209220611.db2.gz	OVBANGPEBYGADX-WCBMZHEXSA-N	-2	0	371.136	1.377	50	0		FDAARL
Nc1ccc(/C=C/c2ccc(N)c(S(=O)(=O)[O-])c2)cc1S(=O)(=O)[O-]	ZINC000005932945	207122884	/nfs/dbraw/zinc/12/28/84/207122884.db2.gz	CZXHDWYXINPKFH-OWOJBTEDSA-N	-2	0	370.408	1.515	50	0		FDAARL
COc1ccccc1CNC(=O)COc1ccccc1P(=O)([O-])[O-]	ZINC000009476738	207272721	/nfs/dbraw/zinc/27/27/21/207272721.db2.gz	HBNAANXYZRLNBA-UHFFFAOYSA-N	-2	0	351.295	1.193	50	0		FDAARL
COc1ccc(CNC(=O)COc2ccccc2P(=O)([O-])[O-])cc1	ZINC000009576221	207276680	/nfs/dbraw/zinc/27/66/80/207276680.db2.gz	NXUWQIAFHSVMBM-UHFFFAOYSA-N	-2	0	351.295	1.193	50	0		FDAARL
COC(=O)c1ccccc1NC(=O)COc1ccccc1P(=O)([O-])[O-]	ZINC000009547562	207276704	/nfs/dbraw/zinc/27/67/04/207276704.db2.gz	SKAIMZQRRYBJRU-UHFFFAOYSA-N	-2	0	365.278	1.294	50	0		FDAARL
O=C([O-])CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000016096912	518742417	/nfs/dbraw/zinc/74/24/17/518742417.db2.gz	AHSVEECIVCJOCX-UHFFFAOYSA-N	-2	0	354.409	1.753	50	0		FDAARL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(C(=O)c4cccs4)=NOC3=C2[O-])cc1	ZINC000018203137	518796317	/nfs/dbraw/zinc/79/63/17/518796317.db2.gz	GJHVRLAYNRBRSD-FZMZJTMJSA-N	-2	0	370.342	1.573	50	0		FDAARL
O=C(CN1CCC(C(=O)[O-])CC1)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000020342417	518849406	/nfs/dbraw/zinc/84/94/06/518849406.db2.gz	RSZWYLANKNCJTK-UHFFFAOYSA-N	-2	0	352.412	1.670	50	0		FDAARL
Cc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000073292726	522507120	/nfs/dbraw/zinc/50/71/20/522507120.db2.gz	VFQUXLKEQNRAKI-SECBINFHSA-N	-2	0	354.370	1.752	50	0		FDAARL
O=C([O-])C[C@@H](NC(=O)N1CCC(Oc2ccccc2F)CC1)C(=O)[O-]	ZINC000426668448	538121633	/nfs/dbraw/zinc/12/16/33/538121633.db2.gz	SKPGSBONNXPFGY-GFCCVEGCSA-N	-2	0	354.334	1.306	50	0		FDAARL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(N(C)C)nc1	ZINC000443453308	538397288	/nfs/dbraw/zinc/39/72/88/538397288.db2.gz	KOXLKJKWNCPPGB-UHFFFAOYSA-N	-2	0	350.400	1.604	50	0		FDAARL
Cc1c(C)c(CC(C(=O)[O-])C(=O)[O-])c(C)c(C)c1CC(C(=O)[O-])C(=O)[O-]	ZINC000252485047	571132279	/nfs/dbraw/zinc/13/22/79/571132279.db2.gz	GMZCSCXYCCQWHQ-UHFFFAOYSA-N	-4	0	366.366	1.576	50	0		FDAARL
COCCCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2ccccc2OC)C1=O	ZINC000101368779	209225074	/nfs/dbraw/zinc/22/50/74/209225074.db2.gz	VKRYTNUKJAMQPW-PBMBQWDMSA-N	-2	0	360.366	1.635	50	0		FDAARL
O=C([O-])COc1ccc(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000000754489	518219100	/nfs/dbraw/zinc/21/91/00/518219100.db2.gz	MWTGMPRNUBZHCH-UHFFFAOYSA-N	-2	0	366.347	1.446	50	0		FDAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O	ZINC000016806867	518770013	/nfs/dbraw/zinc/77/00/13/518770013.db2.gz	RXQYNYFBDJPZGP-UHFFFAOYSA-N	-2	0	368.802	1.979	50	0		FDAARL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1F	ZINC000285196885	675801533	/nfs/dbraw/zinc/80/15/33/675801533.db2.gz	VUKFUMVWGYBWMC-UHFFFAOYSA-N	-2	0	369.374	1.623	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000004592346	207031052	/nfs/dbraw/zinc/03/10/52/207031052.db2.gz	YXNBHSFRFDRSLQ-IGQOVBAYSA-N	-2	0	368.430	1.001	50	0		FDAARL
O=C([O-])[C@H](C(=O)Oc1ccccc1)[C@@H](C(=O)[O-])C(=O)Oc1ccccc1	ZINC000005647538	207111403	/nfs/dbraw/zinc/11/14/03/207111403.db2.gz	WUXFJBKGSMQVDJ-OKILXGFUSA-N	-2	0	358.302	1.599	50	0		FDAARL
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(=O)[O-]	ZINC000000167160	518216940	/nfs/dbraw/zinc/21/69/40/518216940.db2.gz	ZJTCBNMHPPTXTH-UHFFFAOYSA-N	-2	0	351.336	1.892	50	0		FDAARL
O=C([O-])c1ccc(S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])cc1	ZINC000003683791	518279448	/nfs/dbraw/zinc/27/94/48/518279448.db2.gz	ZZQLWVWUQYVDNC-UHFFFAOYSA-N	-3	0	350.304	1.614	50	0		FDAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2cccc(F)c2)[n-]c1=O	ZINC000016806857	518770306	/nfs/dbraw/zinc/77/03/06/518770306.db2.gz	CIGFTNLJGOBQCL-UHFFFAOYSA-N	-2	0	352.347	1.464	50	0		FDAARL
COc1cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc(C(=O)[O-])c1OC	ZINC000327349138	676591716	/nfs/dbraw/zinc/59/17/16/676591716.db2.gz	IEPMAPWSHKSLAW-UHFFFAOYSA-N	-2	0	369.399	1.980	50	0		FDAARL
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000542235783	541360298	/nfs/dbraw/zinc/36/02/98/541360298.db2.gz	RHFQORLLAJZTOQ-UHFFFAOYSA-N	-2	0	355.420	1.388	50	0		FDAARL
CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100042413	209207844	/nfs/dbraw/zinc/20/78/44/209207844.db2.gz	DVBFBXSDQHIYIZ-VHSXEESVSA-N	-2	0	355.272	1.086	50	0		FDAARL
CCOc1cc(C(=O)[O-])cc(I)c1OCC(=O)[O-]	ZINC000004657702	207035216	/nfs/dbraw/zinc/03/52/16/207035216.db2.gz	BIHGJRYVNZKMLS-UHFFFAOYSA-N	-2	0	366.107	1.852	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000000675172	518218962	/nfs/dbraw/zinc/21/89/62/518218962.db2.gz	SPCVBORNGIRJOU-UONOGXRCSA-N	-2	0	368.411	1.341	50	0		FDAARL
COC(=O)[C@H](CCCC[N-]C(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F	ZINC000002516188	518243791	/nfs/dbraw/zinc/24/37/91/518243791.db2.gz	RENGOOCYAJRSCR-LURJTMIESA-N	-2	0	352.231	1.055	50	0		FDAARL
Nc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1	ZINC000002802808	518251141	/nfs/dbraw/zinc/25/11/41/518251141.db2.gz	DOZXPSRIRDFGST-UHFFFAOYSA-N	-2	0	354.369	1.248	50	0		FDAARL
COc1cccc(-n2c(O)c3[n-][n-]c(C(=O)Cc4ccccc4)c-3c2=O)c1	ZINC000016030460	518741146	/nfs/dbraw/zinc/74/11/46/518741146.db2.gz	VGNYKDGZNMOIQX-AEFFLSMTSA-N	-2	0	363.373	1.324	50	0	biogenic	FDAARL
Cc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000073292723	522504100	/nfs/dbraw/zinc/50/41/00/522504100.db2.gz	VFQUXLKEQNRAKI-VIFPVBQESA-N	-2	0	354.370	1.752	50	0		FDAARL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000484970645	538813150	/nfs/dbraw/zinc/81/31/50/538813150.db2.gz	HCRJLPQBJYHQJH-UHFFFAOYSA-N	-2	0	365.411	1.656	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000101016548	209220838	/nfs/dbraw/zinc/22/08/38/209220838.db2.gz	OVBANGPEBYGADX-SCZZXKLOSA-N	-2	0	371.136	1.377	50	0		FDAARL
Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1	ZINC000084028340	208317421	/nfs/dbraw/zinc/31/74/21/208317421.db2.gz	HUMFSFQMEUCVJS-UHFFFAOYSA-N	-2	0	374.216	1.990	50	0		FDAARL
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1	ZINC000013079024	518651329	/nfs/dbraw/zinc/65/13/29/518651329.db2.gz	OIWMDXWIYKTYJV-UHFFFAOYSA-N	-2	0	370.333	1.580	50	0		FDAARL
COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1	ZINC000507619182	604953036	/nfs/dbraw/zinc/95/30/36/604953036.db2.gz	UUQCOVDWPQHCAH-UHFFFAOYSA-N	-2	0	351.336	1.892	50	0		FDAARL
O=C([O-])C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004040672	210229028	/nfs/dbraw/zinc/22/90/28/210229028.db2.gz	MTYPLLWVQYHCDM-AWEZNQCLSA-N	-2	0	356.334	1.597	50	0	biogenic	FDAARL
O=C([O-])OCCCOCCOCCOCCOCCCOC(=O)[O-]	ZINC000328577997	210145467	/nfs/dbraw/zinc/14/54/67/210145467.db2.gz	DZCFXEIHXGWCCM-UHFFFAOYSA-N	-2	0	354.352	1.222	50	0		FDAARL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(C(=O)c4cccs4)=NOC3=C2[O-])cc1	ZINC000003849143	518280447	/nfs/dbraw/zinc/28/04/47/518280447.db2.gz	GJHVRLAYNRBRSD-SMDDNHRTSA-N	-2	0	370.342	1.573	50	0		FDAARL
Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1C(=O)[O-]	ZINC000537640252	540755371	/nfs/dbraw/zinc/75/53/71/540755371.db2.gz	MRIQMMHMJMKUOF-UHFFFAOYSA-N	-2	0	353.356	1.080	50	0		FDAARL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[C@]2(c3ccccc3)CC[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000261493186	223075917	/nfs/dbraw/zinc/07/59/17/223075917.db2.gz	AAKFHLIPXMYSBQ-VSEZAZSDSA-N	-4	0	362.334	1.151	50	0		FDAARL
Cc1nc2[n-]c(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)nn2c(=O)c1Cl	ZINC000020463223	211282415	/nfs/dbraw/zinc/28/24/15/211282415.db2.gz	WQNBNAOHQSJGFA-UHFFFAOYSA-N	-2	0	373.712	1.291	50	0		FDAARL
O=C([O-])CCc1cc2n(n1)CCN(c1nc3c(cc1C(=O)[O-])CCC3)C2	ZINC000072407625	136145195	/nfs/dbraw/zinc/14/51/95/136145195.db2.gz	BGEJWVKKNOZGMQ-UHFFFAOYSA-N	-2	0	356.382	1.502	50	0		FDAARL
Nc1ccc(CCc2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000003137668	518259769	/nfs/dbraw/zinc/25/97/69/518259769.db2.gz	CAPKHWMXDRXDIC-UHFFFAOYSA-N	-2	0	372.424	1.130	50	0	in-vitro	FDAARL
COc1cc(C(=O)Oc2ccccc2P(=O)([O-])[O-])cc(OC)c1OC	ZINC000009303641	518501105	/nfs/dbraw/zinc/50/11/05/518501105.db2.gz	MVSNKFLOTWDKAY-UHFFFAOYSA-N	-2	0	368.278	1.735	50	0		FDAARL
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000013360004	220065869	/nfs/dbraw/zinc/06/58/69/220065869.db2.gz	ZNMXZHYRSZRWCU-UHFFFAOYSA-N	-2	0	352.343	1.441	50	0		FDAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205950468	570542193	/nfs/dbraw/zinc/54/21/93/570542193.db2.gz	PVVQNQVQGLDDJT-ZDUSSCGKSA-N	-2	0	368.345	1.793	50	0		FDAARL
Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1[C@@H]1CCOC1	ZINC000451100496	538186217	/nfs/dbraw/zinc/18/62/17/538186217.db2.gz	UURJOARJXSTKQS-LLVKDONJSA-N	-2	0	369.374	1.791	50	0		FDAARL
COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)[O-])c1	ZINC000097164261	222165490	/nfs/dbraw/zinc/16/54/90/222165490.db2.gz	CEKHMAZKSLOAGT-UHFFFAOYSA-N	-2	0	369.399	1.553	50	0		FDAARL
O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCOCC3)c2c1	ZINC000031809796	519463950	/nfs/dbraw/zinc/46/39/50/519463950.db2.gz	ALFNROFHRDMUBC-REMYHPOOSA-N	-2	0	373.365	1.205	50	0		FDAARL
COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1	ZINC000013360130	220066274	/nfs/dbraw/zinc/06/62/74/220066274.db2.gz	UQCLRDXORDCROP-UHFFFAOYSA-N	-2	0	365.363	1.981	50	0		FDAARL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)n1	ZINC000020426694	211278838	/nfs/dbraw/zinc/27/88/38/211278838.db2.gz	RUUCFQCUDZHBKH-VOTSOKGWSA-N	-2	0	362.367	1.165	50	0		FDAARL
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001632637	210363694	/nfs/dbraw/zinc/36/36/94/210363694.db2.gz	YONLFQNRGZXBBF-OKILXGFUSA-N	-2	0	358.302	1.607	50	0		FDAARL
O=C([O-])CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000019943955	220306828	/nfs/dbraw/zinc/30/68/28/220306828.db2.gz	ZXGYZZNHGCMRBB-UHFFFAOYSA-N	-2	0	353.327	1.804	50	0		FDAARL
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-]	ZINC000001530922	210357456	/nfs/dbraw/zinc/35/74/56/210357456.db2.gz	XWLUWCNOOVRFPX-UHFFFAOYSA-N	-2	0	362.278	1.549	50	0	fda	FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000101022873	222260482	/nfs/dbraw/zinc/26/04/82/222260482.db2.gz	ADBHLWJITZEUHY-GMSGAONNSA-N	-2	0	371.136	1.377	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000005091139	518330828	/nfs/dbraw/zinc/33/08/28/518330828.db2.gz	ADBHLWJITZEUHY-XVKPBYJWSA-N	-2	0	371.136	1.377	50	0		FDAARL
COC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Br	ZINC000095447095	568385648	/nfs/dbraw/zinc/38/56/48/568385648.db2.gz	VLCCAUCERGWJGT-UHFFFAOYSA-N	-2	0	367.177	1.005	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000001088059	210314225	/nfs/dbraw/zinc/31/42/25/210314225.db2.gz	SPCVBORNGIRJOU-KGLIPLIRSA-N	-2	0	368.411	1.341	50	0		FDAARL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-]	ZINC000096183022	222069495	/nfs/dbraw/zinc/06/94/95/222069495.db2.gz	QKQZHPHZWPKGCA-AWEZNQCLSA-N	-2	0	355.412	1.941	50	0		FDAARL
O=C([O-])CCCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000003172596	518258839	/nfs/dbraw/zinc/25/88/39/518258839.db2.gz	KRDRLGDMDSTYEW-UHFFFAOYSA-N	-2	0	366.189	1.290	50	0		FDAARL
Cc1ccc(S(=O)(=O)[N-][N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1	ZINC000007405157	518418851	/nfs/dbraw/zinc/41/88/51/518418851.db2.gz	BLWHVXLULDQTEK-UHFFFAOYSA-N	-2	0	354.453	1.784	50	0		FDAARL
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cs1	ZINC000006681576	219760064	/nfs/dbraw/zinc/76/00/64/219760064.db2.gz	DBIZBPFVLIFKKD-UHFFFAOYSA-N	-2	0	354.409	1.915	50	0		FDAARL
CCCc1cc(=O)n2nc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)[n-]c2n1	ZINC000021171437	211309526	/nfs/dbraw/zinc/30/95/26/211309526.db2.gz	YCEBFUXTKRYREE-UHFFFAOYSA-N	-2	0	367.321	1.281	50	0		FDAARL
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1	ZINC000015109297	211122813	/nfs/dbraw/zinc/12/28/13/211122813.db2.gz	RYPOTZQSODFBCB-UHFFFAOYSA-N	-2	0	364.408	1.887	50	0		FDAARL
O=C([O-])C1=C(Nc2n[n-]c(=S)s2)C(=O)N(CCc2ccccc2)C1	ZINC000035178119	519601483	/nfs/dbraw/zinc/60/14/83/519601483.db2.gz	YVVKSSWRGKFZGF-UHFFFAOYSA-N	-2	0	362.436	1.662	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000245240329	222946405	/nfs/dbraw/zinc/94/64/05/222946405.db2.gz	PDZQDZYDKNSOJM-MQYQWHSLSA-N	-2	0	370.398	1.855	50	0		FDAARL
COC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000024957938	220469799	/nfs/dbraw/zinc/46/97/99/220469799.db2.gz	MKOVVYPEKLSKIR-UHFFFAOYSA-N	-2	0	371.392	1.799	50	0		FDAARL
Cn1cnc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1Cl	ZINC000026534826	220517056	/nfs/dbraw/zinc/51/70/56/220517056.db2.gz	ADCYWAKKCJLUHC-UHFFFAOYSA-N	-2	0	373.774	1.344	50	0		FDAARL
Cc1cc(N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])nc(-c2ccccc2[O-])n1	ZINC000097766534	222210883	/nfs/dbraw/zinc/21/08/83/222210883.db2.gz	RZPMJCWBQJJYNH-CQSZACIVSA-N	-2	0	351.366	1.897	50	0		FDAARL
COC(=O)[C@@H](CCCC[N-]C(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F	ZINC000005273965	518337682	/nfs/dbraw/zinc/33/76/82/518337682.db2.gz	RENGOOCYAJRSCR-ZCFIWIBFSA-N	-2	0	352.231	1.055	50	0		FDAARL
O=C([O-])CNC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000012296886	518601615	/nfs/dbraw/zinc/60/16/15/518601615.db2.gz	RFPPWHVPXKBXNJ-UHFFFAOYSA-N	-2	0	369.329	1.745	50	0	biogenic	FDAARL
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCOCC1	ZINC000031812325	519463931	/nfs/dbraw/zinc/46/39/31/519463931.db2.gz	KKDYBTCIUVTICI-IDOMTICXSA-N	-2	0	373.365	1.205	50	0		FDAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205950482	570542335	/nfs/dbraw/zinc/54/23/35/570542335.db2.gz	PVVQNQVQGLDDJT-CYBMUJFWSA-N	-2	0	368.345	1.793	50	0		FDAARL
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000680809064	907024217	/nfs/dbraw/zinc/02/42/17/907024217.db2.gz	ZDTWTDGVDIJNML-UHFFFAOYSA-N	-2	0	351.428	1.973	50	0		FDAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccccn2c1=O	ZINC000096115375	222031527	/nfs/dbraw/zinc/03/15/27/222031527.db2.gz	FUGIQKGIOLDHOG-CYBMUJFWSA-N	-2	0	368.345	1.793	50	0	biogenic	FDAARL
Cn1c2ccccc2c([O-])c(C2=Nc3ccccc3S(=O)(=O)[N-]2)c1=O	ZINC000100504344	222245247	/nfs/dbraw/zinc/24/52/47/222245247.db2.gz	DUHQVLKKFXKCFZ-UHFFFAOYSA-N	-2	0	355.375	1.614	50	0		FDAARL
COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=S)n(C)c2=O)=NN1C(C)=O	ZINC000101764483	222284242	/nfs/dbraw/zinc/28/42/42/222284242.db2.gz	KYUWBEYRBKDCNB-LBPRGKRZSA-N	-2	0	374.422	1.855	50	0		FDAARL
O=C([O-])c1ccccc1C(=O)NCCNC(=O)c1ccccc1C(=O)[O-]	ZINC000009095223	518497977	/nfs/dbraw/zinc/49/79/77/518497977.db2.gz	VDGWBERLBOLCGW-UHFFFAOYSA-N	-2	0	356.334	1.243	50	0		FDAARL
CNS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1	ZINC000252512778	571281960	/nfs/dbraw/zinc/28/19/60/571281960.db2.gz	VNLHEWGXUYNWMB-MXWKQRLJSA-N	-2	0	356.400	1.046	50	0		FDAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000012544851	220006038	/nfs/dbraw/zinc/00/60/38/220006038.db2.gz	JUPPCNLPXCETRM-UHFFFAOYSA-N	-3	0	351.336	1.892	50	0		FDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@H](C)C(=O)[O-]	ZINC000002108680	518238689	/nfs/dbraw/zinc/23/86/89/518238689.db2.gz	FCYSSYDOGGGXSW-MRVPVSSYSA-N	-2	0	353.758	1.982	50	0	biogenic	FDAARL
O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000426707385	571236008	/nfs/dbraw/zinc/23/60/08/571236008.db2.gz	IYBIUIKHKROHDE-AWEZNQCLSA-N	-2	0	357.366	1.686	50	0		FDAARL
COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C	ZINC000473491732	685301344	/nfs/dbraw/zinc/30/13/44/685301344.db2.gz	RRRGZRKLQWDQKD-UHFFFAOYSA-N	-2	0	369.399	1.310	50	0		FDAARL
O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001532343	518233152	/nfs/dbraw/zinc/23/31/52/518233152.db2.gz	SKVLYVHULOWXTD-UHFFFAOYSA-N	-2	0	355.397	1.747	50	0	in-man	FDAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1	ZINC000004148028	518288935	/nfs/dbraw/zinc/28/89/35/518288935.db2.gz	VOGLYNZFYACBFP-UHFFFAOYSA-N	-2	0	367.379	1.968	50	0	aggregator	FDAARL
O=C([O-])CCCC(=O)NCc1cccc(CNC(=O)CCCC(=O)[O-])c1	ZINC000004491908	219579473	/nfs/dbraw/zinc/57/94/73/219579473.db2.gz	SCPOSKOAACWLNE-UHFFFAOYSA-N	-2	0	364.398	1.429	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000101023622	222260914	/nfs/dbraw/zinc/26/09/14/222260914.db2.gz	MNHNNZZJJRVKLE-WCBMZHEXSA-N	-2	0	371.136	1.377	50	0		FDAARL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000005091427	518330572	/nfs/dbraw/zinc/33/05/72/518330572.db2.gz	MNHNNZZJJRVKLE-WPRPVWTQSA-N	-2	0	371.136	1.377	50	0		FDAARL
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCOCC1	ZINC000031812320	519464568	/nfs/dbraw/zinc/46/45/68/519464568.db2.gz	KKDYBTCIUVTICI-REMYHPOOSA-N	-2	0	373.365	1.205	50	0		FDAARL
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCOCC2)c2ccc(F)cc21	ZINC000036358680	519620352	/nfs/dbraw/zinc/62/03/52/519620352.db2.gz	AMIDUWGTRTYQDL-MRXNPFEDSA-N	-2	0	350.346	1.713	50	0		FDAARL
Cn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c1Cl	ZINC000079054858	523696017	/nfs/dbraw/zinc/69/60/17/523696017.db2.gz	AUIBBLWNMOMARR-UHFFFAOYSA-N	-2	0	371.802	1.922	50	0		FDAARL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1F	ZINC000590695958	551806325	/nfs/dbraw/zinc/80/63/25/551806325.db2.gz	KCPSLEHVGUSHDM-UHFFFAOYSA-N	-2	0	367.358	1.757	50	0		FDAARL
CO[C@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])c1ccc(F)cc1	ZINC000530137915	539891347	/nfs/dbraw/zinc/89/13/47/539891347.db2.gz	RXQIQEOQQHDINV-GFCCVEGCSA-N	-2	0	357.363	1.387	50	0		FDAARL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[C@]2(c3ccccc3)CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000261493185	223076172	/nfs/dbraw/zinc/07/61/72/223076172.db2.gz	AAKFHLIPXMYSBQ-NYSAFYQKSA-N	-4	0	362.334	1.151	50	0		FDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000002108678	518238600	/nfs/dbraw/zinc/23/86/00/518238600.db2.gz	FCYSSYDOGGGXSW-QMMMGPOBSA-N	-2	0	353.758	1.982	50	0	biogenic	FDAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c1	ZINC000026539689	519128106	/nfs/dbraw/zinc/12/81/06/519128106.db2.gz	IWFNLSJMPZQTOH-UHFFFAOYSA-N	-2	0	350.381	1.828	50	0		FDAARL
COc1cc(OC)c(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c(C(=O)[O-])c1	ZINC000095531006	525107790	/nfs/dbraw/zinc/10/77/90/525107790.db2.gz	WOUVNQWMJIRGMF-CQSZACIVSA-N	-2	0	361.354	1.137	50	0		FDAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1F	ZINC000269719091	180370030	/nfs/dbraw/zinc/37/00/30/180370030.db2.gz	TXERNWRATHXSTE-JTQLQIEISA-N	-2	0	355.347	1.483	50	0		FDAARL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000001088057	219367426	/nfs/dbraw/zinc/36/74/26/219367426.db2.gz	SPCVBORNGIRJOU-ZIAGYGMSSA-N	-2	0	368.411	1.341	50	0		FDAARL
COc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)[O-])cc1OC	ZINC000013027950	220055092	/nfs/dbraw/zinc/05/50/92/220055092.db2.gz	AKGMIAYGLAWHLX-UHFFFAOYSA-N	-2	0	369.399	1.553	50	0		FDAARL
O=C([O-])c1cc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])nc2ccccc21	ZINC000095367541	132208419	/nfs/dbraw/zinc/20/84/19/132208419.db2.gz	HJETZZARIKFLRB-ZDUSSCGKSA-N	-2	0	369.377	1.493	50	0		FDAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccsc2C(N)=O)c1C	ZINC000079106622	523705003	/nfs/dbraw/zinc/70/50/03/523705003.db2.gz	LBVNFUZOYUDVKW-UHFFFAOYSA-N	-2	0	354.409	1.963	50	0		FDAARL
COC(=O)c1[n-]c(=NC(=O)c2cc(=O)c(OC)c[n-]2)sc1CC(C)C	ZINC000095475728	525077051	/nfs/dbraw/zinc/07/70/51/525077051.db2.gz	PRHYNXCABIRGCU-UHFFFAOYSA-N	-2	0	365.411	2.077	50	0		FDAARL
O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000426707386	571236052	/nfs/dbraw/zinc/23/60/52/571236052.db2.gz	IYBIUIKHKROHDE-CQSZACIVSA-N	-2	0	357.366	1.686	50	0		FDAARL
CO[C@@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])c1ccc(F)cc1	ZINC000530137916	539891211	/nfs/dbraw/zinc/89/12/11/539891211.db2.gz	RXQIQEOQQHDINV-LBPRGKRZSA-N	-2	0	357.363	1.387	50	0		FDAARL
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000016156605	220180362	/nfs/dbraw/zinc/18/03/62/220180362.db2.gz	MGEVVMKKIZTPCO-FPYGCLRLSA-N	-2	0	371.143	1.101	50	0		FDAARL
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCOCC2)c2ccc(F)cc21	ZINC000036358679	519619990	/nfs/dbraw/zinc/61/99/90/519619990.db2.gz	AMIDUWGTRTYQDL-INIZCTEOSA-N	-2	0	350.346	1.713	50	0		FDAARL
O=C([O-])C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)[O-])c1Cl	ZINC000039333569	519637014	/nfs/dbraw/zinc/63/70/14/519637014.db2.gz	DIJMHGOKYQVRAM-UHFFFAOYSA-N	-2	0	354.624	1.405	50	0		FDAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000245240328	537656001	/nfs/dbraw/zinc/65/60/01/537656001.db2.gz	PDZQDZYDKNSOJM-CRWXNKLISA-N	-2	0	370.398	1.855	50	0		FDAARL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000292008863	537699090	/nfs/dbraw/zinc/69/90/90/537699090.db2.gz	YKTASTZYOZGOJQ-UHFFFAOYSA-N	-2	0	353.400	1.555	50	0		FDAARL
COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000489023832	538784980	/nfs/dbraw/zinc/78/49/80/538784980.db2.gz	QDDRPPPKNHAHLX-SECBINFHSA-N	-2	0	357.363	1.729	50	0		FDAARL
Cc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1C(=O)[O-]	ZINC000484799874	538806347	/nfs/dbraw/zinc/80/63/47/538806347.db2.gz	UDXHWFKAHOWJLF-GFCCVEGCSA-N	-2	0	351.384	1.652	50	0		FDAARL