smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)c1c2c(c([O-])c3c([C@@H](O)CC)cc(=O)oc13)C=CC(C)(C)O2	ZINC000014765959	291080586	/nfs/dbraw/zinc/08/05/86/291080586.db2.gz	GMJLNBCEVMSTTL-ZDUSSCGKSA-N	-1	0	372.417	4.109	1	0	biogenic,in-vitro	FIAFRM
COc1cc2[n-]c(=S)n([C@H]3CCCc4ccccc43)c(=O)c2cc1OC	ZINC000002974254	204072045	/nfs/dbraw/zinc/07/20/45/204072045.db2.gz	YVQBWZODVNNESY-INIZCTEOSA-N	-1	0	368.458	4.002	1	0		FIAFRM
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3ccccc3F)cc2F)CCC1	ZINC000013534079	204534061	/nfs/dbraw/zinc/53/40/61/204534061.db2.gz	VECFXAQXMBOVIW-UHFFFAOYSA-N	-1	0	361.319	4.275	1	0		FIAFRM
CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])ccc2-c2ccccc2)cc1	ZINC000028020106	204873088	/nfs/dbraw/zinc/87/30/88/204873088.db2.gz	ZOHVOQTYCQKZLK-UHFFFAOYSA-N	-1	0	352.411	4.122	1	0		FIAFRM
CCCCCC(=O)Nc1ccc2cnn(Cc3ccccc3C(=O)[O-])c2c1	ZINC000029472185	204901540	/nfs/dbraw/zinc/90/15/40/204901540.db2.gz	SZUYNQWEXLPPPH-UHFFFAOYSA-N	-1	0	365.433	4.302	1	0		FIAFRM
CCC[C@H](CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)[O-]	ZINC000035982885	204998870	/nfs/dbraw/zinc/99/88/70/204998870.db2.gz	ODYNFQAKYMVEJJ-MRXNPFEDSA-N	-1	0	365.901	4.450	1	0		FIAFRM
O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[n-]1)C(F)(F)CF	ZINC000040641129	205075048	/nfs/dbraw/zinc/07/50/48/205075048.db2.gz	CXQWROXUIYGEHU-UHFFFAOYSA-N	-1	0	366.364	4.080	1	0		FIAFRM
COc1ccc(-c2cnc3[nH]cc(-c4ccc(CCC(=O)[O-])cc4)c3c2)cn1	ZINC000045227643	205118592	/nfs/dbraw/zinc/11/85/92/205118592.db2.gz	FBPUDHXFAWCQLN-UHFFFAOYSA-N	-1	0	373.412	4.318	1	0		FIAFRM
C[C@@H](C(=O)[O-])c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000045301904	205120550	/nfs/dbraw/zinc/12/05/50/205120550.db2.gz	HSMGGAWDRKACFW-OAHLLOKOSA-N	-1	0	366.438	4.375	1	0		FIAFRM
NC(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1	ZINC000045392203	205121860	/nfs/dbraw/zinc/12/18/60/205121860.db2.gz	MMXHKUDCNODMMN-UHFFFAOYSA-N	-1	0	366.417	4.133	1	0		FIAFRM
CCCc1cc(OC(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)[O-])=C2	ZINC000064559801	205300327	/nfs/dbraw/zinc/30/03/27/205300327.db2.gz	AEIGTKUKBWYPFQ-LBPRGKRZSA-N	-1	0	370.245	4.329	1	0		FIAFRM
COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c([O-])c1Br	ZINC000103201808	205987389	/nfs/dbraw/zinc/98/73/89/205987389.db2.gz	UGAQLDFAPGIKFM-UHFFFAOYSA-N	-1	0	371.614	4.056	1	0		FIAFRM
O=c1c2c[n-]c3cccc(OCc4ccccc4)c3c-2nn1-c1ccccc1	ZINC000141796280	206137412	/nfs/dbraw/zinc/13/74/12/206137412.db2.gz	RNYCHGPSWCHYCU-UHFFFAOYSA-N	-1	0	367.408	4.446	1	0		FIAFRM
Cc1cc(I)ccc1Nc1ccccc1C(=O)[O-]	ZINC000000582837	219305456	/nfs/dbraw/zinc/30/54/56/219305456.db2.gz	FHXQAXYOKQYKHH-UHFFFAOYSA-N	-1	0	353.159	4.041	1	0		FIAFRM
COc1c(O)cc(-c2coc3cc([O-])ccc3c2=O)cc1CC=C(C)C	ZINC000014819476	291081038	/nfs/dbraw/zinc/08/10/38/291081038.db2.gz	CEXYMYPXHMUTTJ-UHFFFAOYSA-N	-1	0	352.386	4.389	1	0	biogenic,in-vitro	FIAFRM
CCc1ccc(N(CC)C(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])cc1	ZINC000000201583	203933236	/nfs/dbraw/zinc/93/32/36/203933236.db2.gz	PHTCECIILZXTFG-UHFFFAOYSA-N	-1	0	350.418	4.024	1	0		FIAFRM
COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)[O-])cc1	ZINC000001648928	204015865	/nfs/dbraw/zinc/01/58/65/204015865.db2.gz	MZCAPXRDAPWCCL-UHFFFAOYSA-N	-1	0	363.295	4.099	1	0		FIAFRM
O=S(=O)([O-])O[C@H](CCc1ccccc1)Cc1cccc2ccccc21	ZINC000026152312	204847209	/nfs/dbraw/zinc/84/72/09/204847209.db2.gz	JOKPTNDRFXLHHR-LJQANCHMSA-N	-1	0	356.443	4.203	1	0		FIAFRM
Cc1ccc2oc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1	ZINC000036241891	205009310	/nfs/dbraw/zinc/00/93/10/205009310.db2.gz	VDODPUVKPJPZMP-UHFFFAOYSA-N	-1	0	357.218	4.244	1	0		FIAFRM
O=S(=O)(c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[n-]1)C(F)F	ZINC000040505136	205071172	/nfs/dbraw/zinc/07/11/72/205071172.db2.gz	BCJXNNNYWHIYKN-UHFFFAOYSA-N	-1	0	370.327	4.018	1	0		FIAFRM
CCCc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)[O-])=C2	ZINC000064559799	205300734	/nfs/dbraw/zinc/30/07/34/205300734.db2.gz	AEIGTKUKBWYPFQ-GFCCVEGCSA-N	-1	0	370.245	4.329	1	0		FIAFRM
C=C(NNc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc(O)cc1	ZINC000064693658	205303616	/nfs/dbraw/zinc/30/36/16/205303616.db2.gz	VCQHZOOAWCNLPJ-UHFFFAOYSA-N	-1	0	374.611	4.033	1	0		FIAFRM
Cc1cc(C)c2nc(C3(c4ccc(F)cc4)CC3)c(O)c(C(=O)[O-])c2c1	ZINC000058574944	205277061	/nfs/dbraw/zinc/27/70/61/205277061.db2.gz	GHNXHPIDYMKKOI-UHFFFAOYSA-N	-1	0	351.377	4.474	1	0		FIAFRM
O=c1cc(CCCC2(c3ccccc3)CC2)c2c(=O)[n-]c(C(F)F)nc2o1	ZINC000066076601	205362168	/nfs/dbraw/zinc/36/21/68/205362168.db2.gz	DKYRUKZCEHDDCS-UHFFFAOYSA-N	-1	0	372.371	4.281	1	0		FIAFRM
O=C([O-])c1ccc(Nc2nccc(Nc3ccc(F)cc3Cl)n2)cc1	ZINC000087613214	205663660	/nfs/dbraw/zinc/66/36/60/205663660.db2.gz	OXLRVKXHGKZBOM-UHFFFAOYSA-N	-1	0	358.760	4.455	1	0		FIAFRM
COc1ccc(Cn2c(CC(C)(C)CC(=O)[O-])nc3ccccc32)cc1	ZINC000000586829	219305418	/nfs/dbraw/zinc/30/54/18/219305418.db2.gz	PSXRKZYICVBJMW-UHFFFAOYSA-N	-1	0	352.434	4.137	1	0		FIAFRM
COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)[O-])cc1	ZINC000001647664	204015943	/nfs/dbraw/zinc/01/59/43/204015943.db2.gz	ORNCQZVTQNFZTO-UHFFFAOYSA-N	-1	0	363.295	4.099	1	0		FIAFRM
CCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000013823669	204554487	/nfs/dbraw/zinc/55/44/87/204554487.db2.gz	YEIPELYZWHCLIZ-UHFFFAOYSA-N	-1	0	370.836	4.005	1	0		FIAFRM
C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)[O-])cc5C[C@]34C)[C@@H]1CC[C@@H]2O	ZINC000027425480	204862338	/nfs/dbraw/zinc/86/23/38/204862338.db2.gz	YRTQKPWOTFXIJI-DOEPJIJBSA-N	-1	0	358.478	4.296	1	0		FIAFRM
Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)c(C)c(C)n1	ZINC000026572705	204852330	/nfs/dbraw/zinc/85/23/30/204852330.db2.gz	JRLNLETYDLLGIU-UHFFFAOYSA-N	-1	0	366.392	4.161	1	0		FIAFRM
CSC[C@@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(Cl)ccc1Cl	ZINC000049112133	205170573	/nfs/dbraw/zinc/17/05/73/205170573.db2.gz	IVGCYVKQMZLFEE-OAHLLOKOSA-N	-1	0	360.262	4.080	1	0		FIAFRM
CSc1nc(NCc2ccccc2)c(C(=O)[O-])c(-c2cccs2)n1	ZINC000053296728	205191560	/nfs/dbraw/zinc/19/15/60/205191560.db2.gz	RABULGLKUWBXPU-UHFFFAOYSA-N	-1	0	357.460	4.237	1	0		FIAFRM
O=C([O-])/C=C/[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4[C@H]3[C@H]2C=C[C@@H]41	ZINC000169326883	206250679	/nfs/dbraw/zinc/25/06/79/206250679.db2.gz	ZCRUGKKXGAGXFI-JYGHKZJLSA-N	-1	0	350.458	4.286	1	0		FIAFRM
Cc1[n-]n(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c(=O)c1Cc1ccccc1	ZINC000169330067	206251397	/nfs/dbraw/zinc/25/13/97/206251397.db2.gz	OMTJOKFMSSRTDW-UHFFFAOYSA-N	-1	0	360.461	4.239	1	0		FIAFRM
C[C@H](C(=O)[O-])[C@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000003050282	132384765	/nfs/dbraw/zinc/38/47/65/132384765.db2.gz	OCPWXJIVNZLDPI-MEDUHNTESA-N	-1	0	361.850	4.068	1	0		FIAFRM
C=C(CC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)[O-])C(C)C	ZINC000150247205	290671772	/nfs/dbraw/zinc/67/17/72/290671772.db2.gz	HIFHHPAUYJJLRV-KYJCARRESA-N	-1	0	350.499	4.408	1	0	biogenic	FIAFRM
O=C([O-])c1cc2c3ccccc3[nH]c2c(C(=O)c2c[nH]c3ccccc23)n1	ZINC000014658848	203883911	/nfs/dbraw/zinc/88/39/11/203883911.db2.gz	XAJFCGSSMHQTIO-UHFFFAOYSA-N	-1	0	355.353	4.127	1	0		FIAFRM
CCN(CC)C(=S)Nc1ccc(-c2cc3ccc([O-])cc3oc2=O)cc1	ZINC000001642494	204014634	/nfs/dbraw/zinc/01/46/34/204014634.db2.gz	XSAMYPJPRUQNHY-UHFFFAOYSA-N	-1	0	368.458	4.204	1	0		FIAFRM
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1CNC(=O)c1ccccc1	ZINC000013492827	204532791	/nfs/dbraw/zinc/53/27/91/204532791.db2.gz	BHDDREQDTGAKAN-UHFFFAOYSA-N	-1	0	363.200	4.103	1	0		FIAFRM
CC(C)c1ccc(NC(=O)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)cc1	ZINC000013649345	204541997	/nfs/dbraw/zinc/54/19/97/204541997.db2.gz	MSKIBNLNNOUBGI-UHFFFAOYSA-N	-1	0	355.434	4.233	1	0		FIAFRM
COc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)[O-])c(C)c4)c3c2)cn1	ZINC000045168807	205117332	/nfs/dbraw/zinc/11/73/32/205117332.db2.gz	VWIPYQXWUHISLC-UHFFFAOYSA-N	-1	0	359.385	4.307	1	0		FIAFRM
CC(C)(C)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc(C(C)(C)C)c1	ZINC000064513872	205299089	/nfs/dbraw/zinc/29/90/89/205299089.db2.gz	YLLRVWDINXMUMJ-XDNAFOTISA-N	-1	0	373.493	4.098	1	0		FIAFRM
O=C([O-])c1ccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)cc1	ZINC000101073704	205951686	/nfs/dbraw/zinc/95/16/86/205951686.db2.gz	GVMGPQHXRIFVME-SAABIXHNSA-N	-1	0	372.396	4.036	1	0		FIAFRM
Cc1c(-c2ccc(=O)n(C(C)C)c2)c2cc(Cl)ccc2n1CC(=O)[O-]	ZINC000117015244	206101705	/nfs/dbraw/zinc/10/17/05/206101705.db2.gz	KZPHXDVVLJAMCO-UHFFFAOYSA-N	-1	0	358.825	4.097	1	0		FIAFRM
C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)[O-])cc5C[C@]34C)[C@H]1CC[C@@H]2O	ZINC000169372135	206254675	/nfs/dbraw/zinc/25/46/75/206254675.db2.gz	YRTQKPWOTFXIJI-KPDZWOPNSA-N	-1	0	358.478	4.296	1	0		FIAFRM
O=C([O-])c1nn(Cc2cccc(C(=O)c3ccccc3)c2)c2ccccc21	ZINC000169340507	206252517	/nfs/dbraw/zinc/25/25/17/206252517.db2.gz	UMWUYACXPSWMGF-UHFFFAOYSA-N	-1	0	356.381	4.014	1	0		FIAFRM
O=C([O-])c1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl	ZINC000013095059	206299733	/nfs/dbraw/zinc/29/97/33/206299733.db2.gz	GBSUGFRFOZLVIA-UHFFFAOYSA-N	-1	0	374.607	4.363	1	0		FIAFRM
O=C(/C=C/c1cccs1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000064521171	136133363	/nfs/dbraw/zinc/13/33/63/136133363.db2.gz	SPZDHFYUAFFOKK-VQHVLOKHSA-N	-1	0	356.447	4.089	1	0		FIAFRM
CCOc1ccc(-c2oc3ccc(C(=O)[O-])cc3c(=O)c2OC(C)C)cc1	ZINC000027078882	204858656	/nfs/dbraw/zinc/85/86/56/204858656.db2.gz	GQXXHHPRPVLWQI-UHFFFAOYSA-N	-1	0	368.385	4.344	1	0		FIAFRM
O=C([O-])[C@H](Cc1ccccc1Br)Oc1ccc(Cl)cc1	ZINC000045484126	205122851	/nfs/dbraw/zinc/12/28/51/205122851.db2.gz	IXVYTFQVYOWLNP-AWEZNQCLSA-N	-1	0	355.615	4.177	1	0		FIAFRM
O=C([O-])c1cc2c(ncnc2Nc2ccc(OC(F)(F)F)cc2)s1	ZINC000064528370	205298924	/nfs/dbraw/zinc/29/89/24/205298924.db2.gz	SFCLWZBOEVLSTH-UHFFFAOYSA-N	-1	0	355.297	4.032	1	0		FIAFRM
Cc1c(-c2ccccc2)nn(-c2nc(C(=O)[O-])cs2)c1C(F)(F)F	ZINC000096938276	205889155	/nfs/dbraw/zinc/88/91/55/205889155.db2.gz	SDRGRTBJJYYORH-UHFFFAOYSA-N	-1	0	353.325	4.021	1	0		FIAFRM
C[C@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@H]1c1ccccc1	ZINC000169343392	206253304	/nfs/dbraw/zinc/25/33/04/206253304.db2.gz	IRDDNKFJTNXDHC-YMTOWFKASA-N	-1	0	365.212	4.421	1	0		FIAFRM
O=C(C=C([O-])c1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1	ZINC000102962959	222316768	/nfs/dbraw/zinc/31/67/68/222316768.db2.gz	CQMDAORAIQQFBN-UHFFFAOYSA-N	-1	0	351.789	4.274	1	0		FIAFRM
CC/C=C\C[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)[O-]	ZINC000012496194	571694875	/nfs/dbraw/zinc/69/48/75/571694875.db2.gz	CRDZYJSQHCXHEG-SFVBTVKNSA-N	-1	0	360.494	4.491	1	0	endogenous,in-man	FIAFRM
Nc1nc2cc(CNc3ccc(C(=O)[O-])cc3)ccc2nc1-c1ccccc1	ZINC000001641914	204014589	/nfs/dbraw/zinc/01/45/89/204014589.db2.gz	VKJYCGOMVZQVLV-UHFFFAOYSA-N	-1	0	370.412	4.189	1	0		FIAFRM
CSc1nc2c(c(=O)[n-]1)N=C(c1ccccc1)C[C@@H](c1ccccc1)N2	ZINC000005503366	204212228	/nfs/dbraw/zinc/21/22/28/204212228.db2.gz	BVNFLIXAWRAJSD-INIZCTEOSA-N	-1	0	362.458	4.170	1	0		FIAFRM
C[C@@H](C(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C	ZINC000026394184	204850528	/nfs/dbraw/zinc/85/05/28/204850528.db2.gz	GQECVTUOELTXTC-KFAJHVNYSA-N	-1	0	359.510	4.312	1	0		FIAFRM
O=C([O-])Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000031976220	204924619	/nfs/dbraw/zinc/92/46/19/204924619.db2.gz	OWYDPFUNZMCXCQ-UHFFFAOYSA-N	-1	0	372.833	4.343	1	0		FIAFRM
Cc1c(Cc2nc3ccccc3s2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000038345115	205040729	/nfs/dbraw/zinc/04/07/29/205040729.db2.gz	XWZXWQGSDNDQMJ-UHFFFAOYSA-N	-1	0	354.406	4.374	1	0		FIAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Oc3ccc(C)cc3)c(F)c21	ZINC000040918409	205085614	/nfs/dbraw/zinc/08/56/14/205085614.db2.gz	JUNVMHBCFPPHTE-UHFFFAOYSA-N	-1	0	359.328	4.099	1	0		FIAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(Nc3cccc(Cl)c3F)ccc21	ZINC000040976318	205086657	/nfs/dbraw/zinc/08/66/57/205086657.db2.gz	CIHHBHCZUILBGV-UHFFFAOYSA-N	-1	0	360.772	4.256	1	0		FIAFRM
Cc1cccc2oc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)nc21	ZINC000040556666	205071985	/nfs/dbraw/zinc/07/19/85/205071985.db2.gz	XZPUEHXSJYHGFS-UHFFFAOYSA-N	-1	0	357.218	4.244	1	0		FIAFRM
C[S@](=O)CC1=C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000040568255	205072797	/nfs/dbraw/zinc/07/27/97/205072797.db2.gz	VRYURYQDHUXPRA-TXMRPHQTSA-N	-1	0	364.551	4.399	1	0		FIAFRM
O=c1nc(CNc2cccc(O)c2)[n-]c2c3cc(Cl)ccc3sc21	ZINC000045286703	205119120	/nfs/dbraw/zinc/11/91/20/205119120.db2.gz	RLPCQQSZTQVWAR-UHFFFAOYSA-N	-1	0	357.822	4.109	1	0		FIAFRM
Cc1cc(=O)n([C@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)[n-]1	ZINC000064274780	205297795	/nfs/dbraw/zinc/29/77/95/205297795.db2.gz	SQRHLGYXTXOMII-QWRGUYRKSA-N	-1	0	365.277	4.101	1	0		FIAFRM
CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@H]2C(=O)[O-])c1	ZINC000064527107	205298959	/nfs/dbraw/zinc/29/89/59/205298959.db2.gz	XBODVQKZKVSVAE-VSZNYVQBSA-N	-1	0	373.493	4.098	1	0		FIAFRM
C[C@@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@@H]1c1ccccc1	ZINC000169343385	206251348	/nfs/dbraw/zinc/25/13/48/206251348.db2.gz	IRDDNKFJTNXDHC-XPTSAGLGSA-N	-1	0	365.212	4.421	1	0		FIAFRM
COc1cccc(-c2ccc(NC(=O)c3cocc3C(=O)[O-])c(F)c2)c1	ZINC000014960696	581099374	/nfs/dbraw/zinc/09/93/74/581099374.db2.gz	NMZKMXURRGQBPG-UHFFFAOYSA-N	-1	0	355.321	4.045	1	0		FIAFRM
C[C@H](Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C)C(=O)[O-]	ZINC000026004686	204845083	/nfs/dbraw/zinc/84/50/83/204845083.db2.gz	KDOUMXCEFMNRDP-CQSZACIVSA-N	-1	0	368.429	4.132	1	0		FIAFRM
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nc(=O)s[n-]1	ZINC000045301695	205120684	/nfs/dbraw/zinc/12/06/84/205120684.db2.gz	JPIFEARTMAHGNC-NEPJUHHUSA-N	-1	0	372.277	4.463	1	0		FIAFRM
O=C([O-])c1csc(-n2nc3c(c2-c2ccccc2)CCc2ccccc2-3)n1	ZINC000103249837	205989537	/nfs/dbraw/zinc/98/95/37/205989537.db2.gz	GCXUZXGXEGDUDJ-UHFFFAOYSA-N	-1	0	373.437	4.460	1	0		FIAFRM
COc1cc2ccccc2c(Cc2c(=O)[nH][n-]c2-c2ccc(C)cc2)c1O	ZINC000169311773	206249977	/nfs/dbraw/zinc/24/99/77/206249977.db2.gz	KAEMGFMCDSXJIH-UHFFFAOYSA-N	-1	0	360.413	4.137	1	0		FIAFRM
CCCCSc1cc(C(=O)[O-])cc(NC=O)c1C(=O)c1ccccc1	ZINC000169343311	206252087	/nfs/dbraw/zinc/25/20/87/206252087.db2.gz	BQCYAVSBQNHYSA-UHFFFAOYSA-N	-1	0	357.431	4.076	1	0		FIAFRM
CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCSCC(=O)[O-]	ZINC000169338000	206252447	/nfs/dbraw/zinc/25/24/47/206252447.db2.gz	AFOVXUJBAZEFLD-QYVDCROJSA-N	-1	0	356.528	4.067	1	0		FIAFRM
O=C([O-])c1ccc(Nc2ncc([C@H]3C=NN=N3)c(Nc3ccccc3)n2)cc1	ZINC000029042679	204894145	/nfs/dbraw/zinc/89/41/45/204894145.db2.gz	CSPLUAPBXKCAEC-MRXNPFEDSA-N	-1	0	373.376	4.155	1	0		FIAFRM
CC(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)[O-]	ZINC000038238569	205039486	/nfs/dbraw/zinc/03/94/86/205039486.db2.gz	KVULPJIQOUYTAM-UHFFFAOYSA-N	-1	0	372.808	4.438	1	0		FIAFRM
C[S@](=O)C[C@@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000040567201	205071734	/nfs/dbraw/zinc/07/17/34/205071734.db2.gz	YTBQLBSVAHMJNU-BVBIOCTKSA-N	-1	0	366.567	4.479	1	0		FIAFRM
O=C([O-])C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1	ZINC000048999472	205167352	/nfs/dbraw/zinc/16/73/52/205167352.db2.gz	SCQHVECWBAHHHV-FQEVSTJZSA-N	-1	0	372.852	4.380	1	0		FIAFRM
C[C@](O)(c1nc(-c2cccc(C(=O)[O-])c2)cs1)c1ccc(F)c(F)c1	ZINC000061928281	205288938	/nfs/dbraw/zinc/28/89/38/205288938.db2.gz	ZQEZRLPMMKHBSC-GOSISDBHSA-N	-1	0	361.369	4.042	3	0		FIAFRM
CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000064527105	205299115	/nfs/dbraw/zinc/29/91/15/205299115.db2.gz	XBODVQKZKVSVAE-OWSLCNJRSA-N	-1	0	373.493	4.098	1	0		FIAFRM
Cc1ccc(C(C=Cc2c[nH]c3ccccc23)=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000064564552	205300617	/nfs/dbraw/zinc/30/06/17/205300617.db2.gz	OHRPQZDTEROXRV-ZHACJKMWSA-N	-1	0	371.396	4.150	1	0		FIAFRM
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc21	ZINC000014977244	581101677	/nfs/dbraw/zinc/10/16/77/581101677.db2.gz	OSMZPSCTDMDVAT-HNNXBMFYSA-N	-1	0	367.401	4.180	1	0		FIAFRM
Cc1c(-c2ccccc2)nn(-c2nc(C(=O)[O-])cs2)c1-c1cccnc1	ZINC000103249846	209250055	/nfs/dbraw/zinc/25/00/55/209250055.db2.gz	LKNHLKFTJPRDKI-UHFFFAOYSA-N	-1	0	362.414	4.064	1	0		FIAFRM
COc1cc(/C=C/C(=O)[O-])cc2cc(-c3ccc(OC)c(N(C)C)c3)oc21	ZINC000096934922	209163144	/nfs/dbraw/zinc/16/31/44/209163144.db2.gz	JVXYIESGICNQSV-VMPITWQZSA-N	-1	0	367.401	4.281	1	0		FIAFRM
O=C([O-])c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCSC1	ZINC000028121461	207949440	/nfs/dbraw/zinc/94/94/40/207949440.db2.gz	TWIRIFJGISJKML-UHFFFAOYSA-N	-1	0	371.845	4.471	1	0		FIAFRM
COC(=O)[C@@]1(C)CCC[C@]2(C(=O)[O-])[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12	ZINC000034172522	208103762	/nfs/dbraw/zinc/10/37/62/208103762.db2.gz	BUDZNKDGXHMPRO-MCNPMISNSA-N	-1	0	360.450	4.016	1	0		FIAFRM
Cc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)oc2c1	ZINC000036241901	208151680	/nfs/dbraw/zinc/15/16/80/208151680.db2.gz	HOJNFSFZOFBXES-UHFFFAOYSA-N	-1	0	357.218	4.244	1	0		FIAFRM
O=C([O-])C[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)cc1	ZINC000072118828	208801512	/nfs/dbraw/zinc/80/15/12/208801512.db2.gz	WDQQQFDVABRXFU-JTQLQIEISA-N	-1	0	350.752	4.296	1	0		FIAFRM
CC(C)=CCc1c([O-])cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1O	ZINC000006293608	560205485	/nfs/dbraw/zinc/20/54/85/560205485.db2.gz	FTBGFGQPUMCUSC-UHFFFAOYSA-N	-1	0	366.369	4.109	1	0	in-vitro	FIAFRM
Cc1[n-]n(-c2ccc(C(C)C)cc2)c(=O)c1C(=O)c1ccc(Cl)cc1	ZINC000141073413	209378407	/nfs/dbraw/zinc/37/84/07/209378407.db2.gz	CGTKKSFRYGMNNL-UHFFFAOYSA-N	-1	0	354.837	4.482	1	0		FIAFRM
O=C1CCCCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000103205839	209248570	/nfs/dbraw/zinc/24/85/70/209248570.db2.gz	HHXYXPARZDOJIF-ZDUSSCGKSA-N	-1	0	369.792	4.002	1	0		FIAFRM
Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)C1=C(CCCC1)N2	ZINC000103157193	209247449	/nfs/dbraw/zinc/24/74/49/209247449.db2.gz	JEFCDZJPJLDJED-OAHLLOKOSA-N	-1	0	372.266	4.226	1	0		FIAFRM
Cc1ccc(OCc2nnc(Nc3ccccc3C(=O)[O-])s2)cc1C	ZINC000103177100	209246709	/nfs/dbraw/zinc/24/67/09/209246709.db2.gz	JQQQPMQJVRREEP-UHFFFAOYSA-N	-1	0	355.419	4.176	1	0		FIAFRM
COc1cc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)ccc1C(=O)[O-]	ZINC000096907126	209160419	/nfs/dbraw/zinc/16/04/19/209160419.db2.gz	WXHIYAUFOUJFAL-UHFFFAOYSA-N	-1	0	365.429	4.402	1	0		FIAFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](C)[C@@H](C)C(=O)[O-])cc1	ZINC000013756187	207483977	/nfs/dbraw/zinc/48/39/77/207483977.db2.gz	PFLDPOZALLKJHW-HZPDHXFCSA-N	-1	0	365.477	4.483	1	0		FIAFRM
CCC[C@@H](CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)[O-]	ZINC000035982884	208138796	/nfs/dbraw/zinc/13/87/96/208138796.db2.gz	ODYNFQAKYMVEJJ-INIZCTEOSA-N	-1	0	365.901	4.450	1	0		FIAFRM
CCC[C@@H](C(=O)[O-])S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1	ZINC000034801878	208110646	/nfs/dbraw/zinc/11/06/46/208110646.db2.gz	JGNJABZIGHTRNB-INIZCTEOSA-N	-1	0	352.839	4.034	1	0	in-vivo	FIAFRM
COc1ccc(CC[C@@]2(C3CCCC3)CC([O-])=CC(=O)O2)cc1Cl	ZINC000035013143	208117224	/nfs/dbraw/zinc/11/72/24/208117224.db2.gz	DOUHSGTYZGUXDN-IBGZPJMESA-N	-1	0	350.842	4.116	1	0		FIAFRM
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000084730145	208962445	/nfs/dbraw/zinc/96/24/45/208962445.db2.gz	DNFLZDMJDVSPNG-UHFFFAOYSA-N	-1	0	374.396	4.198	1	0		FIAFRM
O=C1C[C@@H]2c3ccccc3O[C@@H]3c4cccc(O)c4-c4c([O-])cc(O)c1c4[C@@H]23	ZINC000014617069	291082684	/nfs/dbraw/zinc/08/26/84/291082684.db2.gz	VYRXNKPPFHPOIN-UMAWSMADSA-N	-1	0	372.376	4.371	1	0	biogenic,in-vitro	FIAFRM
CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCSCC(=O)[O-]	ZINC000149990098	209384159	/nfs/dbraw/zinc/38/41/59/209384159.db2.gz	HXKXLQBESTZVLE-KDHCPSCYSA-N	-1	0	356.528	4.067	1	0		FIAFRM
O=C([O-])c1ccccc1NC(=O)/C=C/c1ccc(OC(F)(F)F)c(F)c1	ZINC000103250071	209250051	/nfs/dbraw/zinc/25/00/51/209250051.db2.gz	CCMBRFACHMAMFB-SOFGYWHQSA-N	-1	0	369.270	4.074	1	0		FIAFRM
O=C([O-])c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2C3)n1	ZINC000103249832	209249605	/nfs/dbraw/zinc/24/96/05/209249605.db2.gz	DJWBYDZPZJLPAI-UHFFFAOYSA-N	-1	0	359.410	4.265	1	0		FIAFRM
CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1C(=O)[O-]	ZINC000001648739	206891076	/nfs/dbraw/zinc/89/10/76/206891076.db2.gz	QSPIKFKGKSSIKJ-VPTHRUTESA-N	-1	0	357.237	4.375	1	0		FIAFRM
Cc1ccc(-c2cc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)nc1	ZINC000028571950	207968879	/nfs/dbraw/zinc/96/88/79/207968879.db2.gz	YCKPHBNFZOGCBJ-UHFFFAOYSA-N	-1	0	367.405	4.161	1	0		FIAFRM
Cc1cccc(Sc2c(C)[n-]c(S(=O)(=O)c3ccccc3)cc2=O)c1	ZINC000040848057	208271812	/nfs/dbraw/zinc/27/18/12/208271812.db2.gz	HKMLGPVNAOAOIR-UHFFFAOYSA-N	-1	0	371.483	4.388	1	0		FIAFRM
Cc1ccc(S(=O)(=O)c2cc(=O)c(Sc3ccccc3)c(C)[n-]2)cc1	ZINC000040379569	208249469	/nfs/dbraw/zinc/24/94/69/208249469.db2.gz	QDXNNZJHLNQYRP-UHFFFAOYSA-N	-1	0	371.483	4.388	1	0		FIAFRM
O=S(=O)([N-]c1cccc(Oc2cccc3cccnc32)c1)C(F)(F)F	ZINC000040504841	208254896	/nfs/dbraw/zinc/25/48/96/208254896.db2.gz	RRRNPOPWNSIOBJ-UHFFFAOYSA-N	-1	0	368.336	4.289	1	0		FIAFRM
CS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)[n-]1	ZINC000040639838	208261937	/nfs/dbraw/zinc/26/19/37/208261937.db2.gz	OIAVESAJSWVMNW-UHFFFAOYSA-N	-1	0	367.257	4.454	1	0		FIAFRM
Nc1nc(S[C@H](C(=O)[O-])c2ccccc2)nc2sc3c(c21)CCCC3	ZINC000045288992	208329655	/nfs/dbraw/zinc/32/96/55/208329655.db2.gz	JIQZAJZGIZSGNR-AWEZNQCLSA-N	-1	0	371.487	4.070	1	0		FIAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O	ZINC000045392397	208332915	/nfs/dbraw/zinc/33/29/15/208332915.db2.gz	OBGQXKXUFQHOCB-UHFFFAOYSA-N	-1	0	355.393	4.415	1	0		FIAFRM
CC(C)=CCc1cc2c(=O)cc(-c3ccc4c(c3)OCO4)oc2cc1[O-]	ZINC000005159018	560201015	/nfs/dbraw/zinc/20/10/15/560201015.db2.gz	MHTMKSFNYLNWIM-UHFFFAOYSA-N	-1	0	350.370	4.403	1	0	biogenic,in-vitro	FIAFRM
O=C(Nc1cc(Cl)cc(Cl)c1)C1=C([O-])[C@@H](c2ccccc2)OC1=O	ZINC000101456111	209226921	/nfs/dbraw/zinc/22/69/21/209226921.db2.gz	YMQTUKGWLPJLEJ-OAHLLOKOSA-N	-1	0	364.184	4.042	1	0		FIAFRM
CC[C@@]1(C(=O)[O-])OC[C@H](CCCCc2nc(-c3ccccc3)oc2C)CO1	ZINC000101489954	209226329	/nfs/dbraw/zinc/22/63/29/209226329.db2.gz	NXIZKFYYHVTHFH-NBEIKUQISA-N	-1	0	373.449	4.217	1	0		FIAFRM
O=C([O-])Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CSC3)cc1	ZINC000096923875	209161347	/nfs/dbraw/zinc/16/13/47/209161347.db2.gz	NBLRKWUABXQBSO-UHFFFAOYSA-N	-1	0	363.442	4.261	1	0		FIAFRM
O=c1c2nn(-c3ccccc3)[n-]c-2c(-c2ccccc2)n1-c1ccccc1	ZINC000005833910	207119415	/nfs/dbraw/zinc/11/94/15/207119415.db2.gz	KFCHUOBLEBHPLH-NRFANRHFSA-N	-1	0	352.397	4.017	1	0		FIAFRM
Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)N[C@@H](C(=O)[O-])C(C)C)(C4)C2)C3)cc1	ZINC000012615473	207402508	/nfs/dbraw/zinc/40/25/08/207402508.db2.gz	KLXALZDCYZPMMX-VOZBEMBGSA-N	-1	0	369.505	4.058	1	0		FIAFRM
Cc1ccc(-c2cc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)cn1	ZINC000028571818	207969206	/nfs/dbraw/zinc/96/92/06/207969206.db2.gz	AWCHLKLUJFQCJC-UHFFFAOYSA-N	-1	0	367.405	4.161	1	0		FIAFRM
COC(=O)[C@@]1(C)CCC[C@]2(C(=O)[O-])[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]12	ZINC000034172524	208102320	/nfs/dbraw/zinc/10/23/20/208102320.db2.gz	BUDZNKDGXHMPRO-OKGZDTJASA-N	-1	0	360.450	4.016	1	0		FIAFRM
COC(=O)[C@@]1(C)CCC[C@@]2(C(=O)[O-])[C@@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@@H]12	ZINC000034172526	208103081	/nfs/dbraw/zinc/10/30/81/208103081.db2.gz	BUDZNKDGXHMPRO-MZTJMCQTSA-N	-1	0	360.450	4.016	1	0		FIAFRM
O=C([O-])CCCc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000040402391	208251229	/nfs/dbraw/zinc/25/12/29/208251229.db2.gz	JKPRRFNMKNGICO-UHFFFAOYSA-N	-1	0	356.466	4.184	1	0		FIAFRM
CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]2C(=O)[O-])c1	ZINC000064527106	208614241	/nfs/dbraw/zinc/61/42/41/208614241.db2.gz	XBODVQKZKVSVAE-XMTFNYHQSA-N	-1	0	373.493	4.098	1	0		FIAFRM
CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000013302725	291079580	/nfs/dbraw/zinc/07/95/80/291079580.db2.gz	MVSNOMINTBGJOH-STZQEDGTSA-N	-1	0	372.461	4.220	1	0	biogenic,in-vitro	FIAFRM
CCCCCc1c(=O)c(OC)c([O-])c2c(O)cc(-c3ccc(O)cc3)oc1-2	ZINC000085633037	291080588	/nfs/dbraw/zinc/08/05/88/291080588.db2.gz	BXTVIRFYBZTZHC-UHFFFAOYSA-N	-1	0	370.401	4.318	1	0	biogenic,in-vitro	FIAFRM
COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)[O-])c(F)c2)c1	ZINC000103278714	209251312	/nfs/dbraw/zinc/25/13/12/209251312.db2.gz	OMPATGZMNFWVOH-UHFFFAOYSA-N	-1	0	356.328	4.477	1	0		FIAFRM
Cc1c(Cc2ccc3ccccc3n2)c(-c2ccccc2)nn1CC(=O)[O-]	ZINC000103238020	209249797	/nfs/dbraw/zinc/24/97/97/209249797.db2.gz	IUCXRMYHYNSKOA-UHFFFAOYSA-N	-1	0	357.413	4.082	1	0		FIAFRM
O=C([O-])c1cccc2[nH]c(-c3cccc4oc(-c5ccccc5O)nc43)nc21	ZINC000103212985	209248518	/nfs/dbraw/zinc/24/85/18/209248518.db2.gz	YBYPJPPLRWWWCZ-UHFFFAOYSA-N	-1	0	371.352	4.442	1	0		FIAFRM
O=S(=O)(Nc1cccc2ncccc21)c1ccc2[nH]c3ccncc3c2c1	ZINC000102328226	209234692	/nfs/dbraw/zinc/23/46/92/209234692.db2.gz	UHIJOOAMRRVCOP-UHFFFAOYSA-N	-1	0	374.425	4.065	1	0		FIAFRM
Cc1c(CC(=O)[O-])c(-c2ccccc2)nn1Cc1ccc2ccccc2n1	ZINC000096270515	209148058	/nfs/dbraw/zinc/14/80/58/209148058.db2.gz	UOONHCDJEXRVPR-UHFFFAOYSA-N	-1	0	357.413	4.082	1	0		FIAFRM
COC(=O)[C@@]1(C)CCC[C@]2(C(=O)[O-])[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12	ZINC000005852841	207119332	/nfs/dbraw/zinc/11/93/32/207119332.db2.gz	BUDZNKDGXHMPRO-NQDBYFHPSA-N	-1	0	360.450	4.016	1	0		FIAFRM
O=c1c2ccc([O-])cc2oc(Cc2ccc(O)cc2)c1Cc1ccccc1	ZINC000013797589	207486068	/nfs/dbraw/zinc/48/60/68/207486068.db2.gz	IXNQRWRQSPFVDY-UHFFFAOYSA-N	-1	0	358.393	4.386	1	0		FIAFRM
O=C([O-])Cc1nc(-c2ccc(Br)cc2)oc1-c1ccccc1	ZINC000027075825	207926128	/nfs/dbraw/zinc/92/61/28/207926128.db2.gz	ZNRPUUJJKLHEHV-UHFFFAOYSA-N	-1	0	358.191	4.398	1	0		FIAFRM
CCCC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1	ZINC000029474111	207992728	/nfs/dbraw/zinc/99/27/28/207992728.db2.gz	QHQUPSJAGROVCD-UHFFFAOYSA-N	-1	0	366.417	4.135	1	0		FIAFRM
O=C([O-])/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1	ZINC000028523238	207964989	/nfs/dbraw/zinc/96/49/89/207964989.db2.gz	KYQZDIMNPXQJPU-ATVHPVEESA-N	-1	0	367.788	4.456	1	0		FIAFRM
CCCCn1c(=O)c2cc(C(=O)[O-])cn2c2cc(Cl)c(Cl)cc21	ZINC000034216351	208102040	/nfs/dbraw/zinc/10/20/40/208102040.db2.gz	IDNLTSKVBCVIPU-UHFFFAOYSA-N	-1	0	353.205	4.059	1	0		FIAFRM
Cc1cc(F)ccc1NCc1cc(C(=O)[O-])cc(-c2ccc(O)cc2)n1	ZINC000040896727	208275047	/nfs/dbraw/zinc/27/50/47/208275047.db2.gz	SBKCBYIILDUCAF-UHFFFAOYSA-N	-1	0	352.365	4.212	1	0		FIAFRM
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1Br	ZINC000040423807	208252760	/nfs/dbraw/zinc/25/27/60/208252760.db2.gz	HVXSXUQJZQLNOP-CQSZACIVSA-N	-1	0	355.615	4.177	1	0		FIAFRM
C[C@H](Sc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000040505295	208254798	/nfs/dbraw/zinc/25/47/98/208254798.db2.gz	OTKYZBZFSBHIJZ-JTQLQIEISA-N	-1	0	364.829	4.442	1	0		FIAFRM
C[C@@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000072104647	208797711	/nfs/dbraw/zinc/79/77/11/208797711.db2.gz	SXZYCRORGALMIH-ULPGVBKRSA-N	-1	0	361.526	4.187	1	0		FIAFRM
Cc1ccc(C(C)C)c(OCC(=O)c2c([O-])c3ccccc3oc2=O)c1	ZINC000101931480	209231259	/nfs/dbraw/zinc/23/12/59/209231259.db2.gz	FQOIJTPMUVAMOE-UHFFFAOYSA-N	-1	0	352.386	4.192	1	0		FIAFRM
COc1cc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)cc2[n-]c(=S)oc21	ZINC000096934821	209162467	/nfs/dbraw/zinc/16/24/67/209162467.db2.gz	MTWMZUIDZHSMTM-INIZCTEOSA-N	-1	0	367.430	4.197	1	0		FIAFRM
COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc2[n-]c(=S)oc21	ZINC000096934822	209163231	/nfs/dbraw/zinc/16/32/31/209163231.db2.gz	MTWMZUIDZHSMTM-MRXNPFEDSA-N	-1	0	367.430	4.197	1	0		FIAFRM
O=C([O-])COc1c(Cl)cc2c(-c3ccccc3F)noc2c1Cl	ZINC000027440048	207931855	/nfs/dbraw/zinc/93/18/55/207931855.db2.gz	APSAXXKWWAOYOE-UHFFFAOYSA-N	-1	0	356.136	4.404	1	0		FIAFRM
CC(C)(C)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c(C(C)(C)C)c1	ZINC000028863955	207978748	/nfs/dbraw/zinc/97/87/48/207978748.db2.gz	AOYDJWQSPYRGAM-MLHJIOFPSA-N	-1	0	373.493	4.098	1	0		FIAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Sc3ccccc3)c(F)c21	ZINC000040915926	208274704	/nfs/dbraw/zinc/27/47/04/208274704.db2.gz	FFIVOUCEBDWFRX-UHFFFAOYSA-N	-1	0	361.369	4.149	1	0		FIAFRM
CC(C)(C)c1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc(C(C)(C)C)c1	ZINC000064513874	208615317	/nfs/dbraw/zinc/61/53/17/208615317.db2.gz	YLLRVWDINXMUMJ-OWSLCNJRSA-N	-1	0	373.493	4.098	1	0		FIAFRM
O=C([O-])CCCCCC[C@H]1C(=O)CC[C@@H]1/C=C/[C@@H](O)COc1ccccc1	ZINC000006115983	560205328	/nfs/dbraw/zinc/20/53/28/560205328.db2.gz	NZGFSDWJUZOAAX-KAVAACISSA-N	-1	0	374.477	4.003	1	0	in-vitro	FIAFRM
COc1cc(C([O-])=CC(=O)c2ccccc2)c(OC)c2c1OC(C)(C)C=C2	ZINC000103566850	291081545	/nfs/dbraw/zinc/08/15/45/291081545.db2.gz	KSNFJIUIVUPMCO-UHFFFAOYSA-N	-1	0	366.413	4.344	1	0	biogenic,in-vitro	FIAFRM
CSc1nc2c(c(=O)[n-]1)N=C(c1ccccc1)C[C@H](c1ccccc1)N2	ZINC000005542966	207105769	/nfs/dbraw/zinc/10/57/69/207105769.db2.gz	BVNFLIXAWRAJSD-MRXNPFEDSA-N	-1	0	362.458	4.170	1	0		FIAFRM
Cc1c(CCCC(=O)[O-])sc(N)c1C(=O)c1cccc(C(F)(F)F)c1	ZINC000012480054	207382992	/nfs/dbraw/zinc/38/29/92/207382992.db2.gz	VKIOQVZNZFRNDU-UHFFFAOYSA-N	-1	0	371.380	4.296	3	0		FIAFRM
CC(C)c1cc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)n[nH]c1=O	ZINC000034842471	208110581	/nfs/dbraw/zinc/11/05/81/208110581.db2.gz	UCWVDJLQXJXVEB-UHFFFAOYSA-N	-1	0	357.193	4.032	1	0		FIAFRM
O=c1nc(COc2cccc(O)c2)[n-]c2c3cc(Cl)ccc3sc21	ZINC000045287038	208328979	/nfs/dbraw/zinc/32/89/79/208328979.db2.gz	SARSRHFTCLKGJD-UHFFFAOYSA-N	-1	0	358.806	4.076	1	0		FIAFRM
C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(C(=O)c3cocn3)c2c1	ZINC000095554125	209078462	/nfs/dbraw/zinc/07/84/62/209078462.db2.gz	OXMGMNBSFVVJAF-JTQLQIEISA-N	-1	0	368.776	4.313	1	0		FIAFRM
C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(C(=O)c3c[nH]cn3)c2c1	ZINC000095554842	209078574	/nfs/dbraw/zinc/07/85/74/209078574.db2.gz	MIKQGYUJUCKCKH-SNVBAGLBSA-N	-1	0	367.792	4.048	1	0		FIAFRM
COc1cc(-c2coc3cc([O-])ccc3c2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000014658666	291081548	/nfs/dbraw/zinc/08/15/48/291081548.db2.gz	JECXZJYJOHFHOZ-UHFFFAOYSA-N	-1	0	366.369	4.064	1	0	biogenic,in-vitro	FIAFRM
O=C(c1c(=O)n(-c2ccccc2)[n-]c1C(F)(F)F)c1ccc(Cl)cc1	ZINC000141078132	209378576	/nfs/dbraw/zinc/37/85/76/209378576.db2.gz	NXCFEBHFMOKWDT-UHFFFAOYSA-N	-1	0	366.726	4.069	1	0		FIAFRM
O=C([O-])c1cccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)c1	ZINC000101072848	209220444	/nfs/dbraw/zinc/22/04/44/209220444.db2.gz	MNUZWCBQSLHITB-RZDIXWSQSA-N	-1	0	372.396	4.036	1	0		FIAFRM
CC12CCCc3cc(C(=O)Nc4ccc(C(=O)[O-])c(O)c4)cc(c31)CCC2	ZINC000096907125	209160568	/nfs/dbraw/zinc/16/05/68/209160568.db2.gz	AVPRBWASVWKWES-UHFFFAOYSA-N	-1	0	365.429	4.273	1	0		FIAFRM
O=C(Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1	ZINC000017729427	220217249	/nfs/dbraw/zinc/21/72/49/220217249.db2.gz	JVKHRSMNVBDUPH-UHFFFAOYSA-N	-1	0	358.349	4.385	1	0		FIAFRM
CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1C(=O)[O-]	ZINC000001648742	206890884	/nfs/dbraw/zinc/89/08/84/206890884.db2.gz	QSPIKFKGKSSIKJ-PWJLMRLQSA-N	-1	0	357.237	4.375	1	0		FIAFRM
C[C@H](C(=O)[O-])c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000045301902	208329728	/nfs/dbraw/zinc/32/97/28/208329728.db2.gz	HSMGGAWDRKACFW-HNNXBMFYSA-N	-1	0	366.438	4.375	1	0		FIAFRM
O=C([O-])c1cccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)c1	ZINC000095553808	209079032	/nfs/dbraw/zinc/07/90/32/209079032.db2.gz	BVPQGHTZXKNBCD-UHFFFAOYSA-N	-1	0	358.760	4.455	1	0		FIAFRM
COc1ccc2c(c1)c(C)c(CCC(=O)[O-])n2C(=O)c1ccc(Cl)cc1	ZINC000095584817	209082508	/nfs/dbraw/zinc/08/25/08/209082508.db2.gz	NDOLIIHMVOZCMD-UHFFFAOYSA-N	-1	0	371.820	4.317	1	0		FIAFRM
COc1cc(/C(=C\c2cccc3ccccc23)C(=O)[O-])cc(OC)c1OC	ZINC000095586518	209082758	/nfs/dbraw/zinc/08/27/58/209082758.db2.gz	LHOBPAWQCGDJGK-WOJGMQOQSA-N	-1	0	364.397	4.491	1	0		FIAFRM
COc1cc(-c2coc3cc([O-])ccc3c2=O)c(O)c(CC=C(C)C)c1O	ZINC000014762949	291081509	/nfs/dbraw/zinc/08/15/09/291081509.db2.gz	SQUYMJWQUIVZPN-UHFFFAOYSA-N	-1	0	368.385	4.094	1	0	biogenic,in-vitro	FIAFRM
CC(C)(C)c1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@H]2C(=O)[O-])cc(C(C)(C)C)c1	ZINC000064513879	212039230	/nfs/dbraw/zinc/03/92/30/212039230.db2.gz	YLLRVWDINXMUMJ-VSZNYVQBSA-N	-1	0	373.493	4.098	1	0		FIAFRM
Cn1nc(-c2ccc(OCC(=O)[O-])c(Cl)c2Cl)c2ccccc21	ZINC000028758958	211496740	/nfs/dbraw/zinc/49/67/40/211496740.db2.gz	CWQBEHJUJIDCMW-UHFFFAOYSA-N	-1	0	351.189	4.011	1	0		FIAFRM
CC(=O)Nc1cc(Cl)cc(Cl)c1Oc1ccccc1CC(=O)[O-]	ZINC000026397964	211446064	/nfs/dbraw/zinc/44/60/64/211446064.db2.gz	RHVBOCVEJGNOGV-UHFFFAOYSA-N	-1	0	354.189	4.371	1	0		FIAFRM
O=C([O-])CCc1ccc(NCc2cc(C(F)(F)F)cnc2Cl)cc1	ZINC000014978994	211110215	/nfs/dbraw/zinc/11/02/15/211110215.db2.gz	WXJAAUGBSOYJOF-UHFFFAOYSA-N	-1	0	358.747	4.383	1	0		FIAFRM
COc1ccc(Cn2c(CC(C)(C)CC(=O)[O-])nc3cc(F)ccc32)cc1	ZINC000013826781	211061275	/nfs/dbraw/zinc/06/12/75/211061275.db2.gz	HGJHCDQVMUEIIK-UHFFFAOYSA-N	-1	0	370.424	4.276	1	0		FIAFRM
O=C([O-])c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1	ZINC000013680227	211049475	/nfs/dbraw/zinc/04/94/75/211049475.db2.gz	DNVYMRXHCXKCPN-UHFFFAOYSA-N	-1	0	363.373	4.003	1	0		FIAFRM
COc1ccc(-c2nc3cc(-c4csc(C(=O)[O-])c4)cnc3[nH]2)cc1	ZINC000103248100	222327941	/nfs/dbraw/zinc/32/79/41/222327941.db2.gz	PDMRUTWXKCFDFD-UHFFFAOYSA-N	-1	0	351.387	4.060	1	0		FIAFRM
CCOc1ccc2c(c1)n(-c1nc(C(=O)[O-])cs1)nc2-c1ccccc1	ZINC000103254797	222328978	/nfs/dbraw/zinc/32/89/78/222328978.db2.gz	GHWFUSGGUFQRRC-UHFFFAOYSA-N	-1	0	365.414	4.246	1	0		FIAFRM
O=C([O-])c1c(O)c([C@@H]2Cc3ccccc32)nc2c1cccc2C(F)(F)F	ZINC000058591338	212011799	/nfs/dbraw/zinc/01/17/99/212011799.db2.gz	SSSFQYWCPJBPKK-GFCCVEGCSA-N	-1	0	359.303	4.345	1	0		FIAFRM
O=C([O-])C1(c2ccc(-c3ccc(OC4CCOCC4)cc3)c(F)c2)CC1	ZINC000013672571	220082342	/nfs/dbraw/zinc/08/23/42/220082342.db2.gz	VXXOUCDUSKLGRM-UHFFFAOYSA-N	-1	0	356.393	4.167	1	0		FIAFRM
Cc1cc(C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)c(C)c2)c1	ZINC000026819827	211453680	/nfs/dbraw/zinc/45/36/80/211453680.db2.gz	UXVPXZWXYNUYFT-PJHKVULZSA-N	-1	0	372.436	4.018	1	0		FIAFRM
O=C([O-])[C@@H]1[C@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1C(=O)Nc1nccs1	ZINC000017417829	211184780	/nfs/dbraw/zinc/18/47/80/211184780.db2.gz	UAEKMUHPIUFOAJ-YHUYYLMFSA-N	-1	0	360.479	4.089	1	0		FIAFRM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)[O-])cc5C[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000013651833	211046485	/nfs/dbraw/zinc/04/64/85/211046485.db2.gz	YRTQKPWOTFXIJI-YOMSBLTCSA-N	-1	0	358.478	4.296	1	0		FIAFRM
CC1(C)c2ccccc2C(C)(C)[C@@H](C(=O)Nc2ccccc2)[C@H]1C(=O)[O-]	ZINC000001619899	210361355	/nfs/dbraw/zinc/36/13/55/210361355.db2.gz	HDLLAELPXJDNCH-MSOLQXFVSA-N	-1	0	351.446	4.211	1	0		FIAFRM
COc1ccc(-c2cc(C[C@H]3CCCC3=O)ccc2[C@@H](C)C(=O)[O-])cc1	ZINC000072107432	221405264	/nfs/dbraw/zinc/40/52/64/221405264.db2.gz	NWNGLICJCGYJBZ-RHSMWYFYSA-N	-1	0	352.430	4.462	1	0		FIAFRM
C[C@@H](Nc1nc(-c2cccc(C(=O)[O-])c2)cnc1N)c1ccc(Cl)cc1	ZINC000096284810	222110984	/nfs/dbraw/zinc/11/09/84/222110984.db2.gz	QSCTUHMIAWVPOA-LLVKDONJSA-N	-1	0	368.824	4.251	1	0		FIAFRM
O=C([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(F)cc2)C1	ZINC000103251174	222329632	/nfs/dbraw/zinc/32/96/32/222329632.db2.gz	CSSXFCMIJIHVOO-AWEZNQCLSA-N	-1	0	369.314	4.200	1	0		FIAFRM
CCCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1ccccc1C	ZINC000000201581	210248729	/nfs/dbraw/zinc/24/87/29/210248729.db2.gz	UWEAVNGHMZDLJA-UHFFFAOYSA-N	-1	0	350.418	4.160	1	0		FIAFRM
Cc1c(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cccc1C(=O)[O-]	ZINC000059185397	212015914	/nfs/dbraw/zinc/01/59/14/212015914.db2.gz	HGIGYEKEPMULMX-UHFFFAOYSA-N	-1	0	357.365	4.157	1	0		FIAFRM
O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1	ZINC000013186499	220060912	/nfs/dbraw/zinc/06/09/12/220060912.db2.gz	FPDLRJQQMKYBND-UHFFFAOYSA-N	-1	0	359.687	4.189	1	0		FIAFRM
CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(Oc2ccccc2)cc1	ZINC000040938497	211764580	/nfs/dbraw/zinc/76/45/80/211764580.db2.gz	JDYIMYZYEPQLHV-RTWAWAEBSA-N	-1	0	373.408	4.474	1	0		FIAFRM
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1Br	ZINC000040423806	211745855	/nfs/dbraw/zinc/74/58/55/211745855.db2.gz	HVXSXUQJZQLNOP-AWEZNQCLSA-N	-1	0	355.615	4.177	1	0		FIAFRM
O=C([O-])c1ccc(Nc2ncc([C@@H]3C=NN=N3)c(Nc3ccccc3)n2)cc1	ZINC000029042677	211505205	/nfs/dbraw/zinc/50/52/05/211505205.db2.gz	CSPLUAPBXKCAEC-INIZCTEOSA-N	-1	0	373.376	4.155	1	0		FIAFRM
O=C([O-])c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1	ZINC000014960331	211106438	/nfs/dbraw/zinc/10/64/38/211106438.db2.gz	RUTGXLQTYXQADL-UHFFFAOYSA-N	-1	0	357.373	4.210	1	0		FIAFRM
O=c1c2c([n-]n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCS2	ZINC000013536726	211036925	/nfs/dbraw/zinc/03/69/25/211036925.db2.gz	LXSJWKBXINRCBS-UHFFFAOYSA-N	-1	0	354.275	4.264	1	0		FIAFRM
COc1ccc(-c2cc([C@@H](C)C(=O)[O-])ccc2C[C@@H]2CCCC2=O)cc1	ZINC000072104864	221405228	/nfs/dbraw/zinc/40/52/28/221405228.db2.gz	MUMHZZLGKYTZBE-KDOFPFPSSA-N	-1	0	352.430	4.462	1	0		FIAFRM
COc1ccc(/C([O-])=C/c2nc3ccccc3n(-c3ccccc3)c2=O)cc1	ZINC000101865042	222286078	/nfs/dbraw/zinc/28/60/78/222286078.db2.gz	JSUJUKDCTFAOHG-JCMHNJIXSA-N	-1	0	370.408	4.450	1	0	aggregator	FIAFRM
COc1ccc(-c2coc3cc([O-])c(CC=C(C)C)c(O)c3c2=O)cc1	ZINC000014819503	291082131	/nfs/dbraw/zinc/08/21/31/291082131.db2.gz	JQNSUDIGIIGIOL-UHFFFAOYSA-N	-1	0	352.386	4.389	1	0	endogenous,in-man	FIAFRM
CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)ccc21	ZINC000061898404	212026534	/nfs/dbraw/zinc/02/65/34/212026534.db2.gz	WPOAYZOFWGBLHI-QFIPXVFZSA-N	-1	0	357.494	4.363	3	0		FIAFRM
CSC[C@@H]1[C@@H](O)[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000040567998	211748645	/nfs/dbraw/zinc/74/86/45/211748645.db2.gz	JPRWRUXEJUBWJD-YOFIRYATSA-N	-1	0	366.567	4.434	1	0		FIAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)C2CCCCC2)[C@@H]2CC[C@H]1O2	ZINC000029416537	211512015	/nfs/dbraw/zinc/51/20/15/211512015.db2.gz	CEHGUSRXHYTTPN-RYBJNPQESA-N	-1	0	362.510	4.479	1	0		FIAFRM
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)N1CCCCC1	ZINC000013609214	211043299	/nfs/dbraw/zinc/04/32/99/211043299.db2.gz	HJZNSLWFNZSYOU-SNAWJCMRSA-N	-1	0	367.232	4.199	1	0		FIAFRM
Nc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1	ZINC000066066262	221239630	/nfs/dbraw/zinc/23/96/30/221239630.db2.gz	UBMHUOWYROYDAE-OAHLLOKOSA-N	-1	0	369.726	4.381	1	0		FIAFRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1	ZINC000095872297	221972349	/nfs/dbraw/zinc/97/23/49/221972349.db2.gz	XFLZELRWIBAHQY-PCCBWWKXSA-N	-1	0	363.457	4.052	1	0		FIAFRM
Cn1c2cnc1ONC(=O)CCCCCCCCCOc1ccccc1-2	ZINC000103244449	222327474	/nfs/dbraw/zinc/32/74/74/222327474.db2.gz	SDJYAZMSSOETBA-UHFFFAOYSA-N	-1	0	357.454	4.010	1	0		FIAFRM
COc1cc2c(c(OC)c1C([O-])=CC(=O)c1ccccc1)C=CC(C)(C)O2	ZINC000103566887	222339882	/nfs/dbraw/zinc/33/98/82/222339882.db2.gz	IJIURKRYKYHLPH-UHFFFAOYSA-N	-1	0	366.413	4.344	1	0	biogenic,in-vitro	FIAFRM
CC1(C)Oc2cc3oc(C(=O)[O-])cc(=O)c3cc2-c2ccc(Cl)cc21	ZINC000169316363	222559817	/nfs/dbraw/zinc/55/98/17/222559817.db2.gz	NPHMHQYEZYUYPH-UHFFFAOYSA-N	-1	0	356.761	4.439	1	0		FIAFRM
C=C[C@](C)(O)CC/C=C(\CO)CC/C=C(/CCC(=C)C(C)C)C(=O)[O-]	ZINC000150248049	560045369	/nfs/dbraw/zinc/04/53/69/560045369.db2.gz	UKRCSBUBFKITSK-NPPIUAQESA-N	-1	0	350.499	4.406	1	0	biogenic	FIAFRM
Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000029128379	210242977	/nfs/dbraw/zinc/24/29/77/210242977.db2.gz	DOJDOCCGHGFTOQ-UHFFFAOYSA-N	-1	0	356.809	4.170	1	0		FIAFRM
CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCSCC(=O)[O-]	ZINC000059529864	212016906	/nfs/dbraw/zinc/01/69/06/212016906.db2.gz	HXKXLQBESTZVLE-MCFZSSJYSA-N	-1	0	356.528	4.067	1	0		FIAFRM
C[S@](=O)C[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000040567202	211747972	/nfs/dbraw/zinc/74/79/72/211747972.db2.gz	YTBQLBSVAHMJNU-XKQJBLCSSA-N	-1	0	366.567	4.479	1	0		FIAFRM
CCC[C@H](C(=O)[O-])S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1	ZINC000034801879	211622668	/nfs/dbraw/zinc/62/26/68/211622668.db2.gz	JGNJABZIGHTRNB-MRXNPFEDSA-N	-1	0	352.839	4.034	1	0	in-vivo	FIAFRM
O=C([O-])[C@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1C(=O)Nc1nccs1	ZINC000017417826	211185413	/nfs/dbraw/zinc/18/54/13/211185413.db2.gz	UAEKMUHPIUFOAJ-FZKCQIBNSA-N	-1	0	360.479	4.089	1	0		FIAFRM
COc1cc(CNC(=O)CCCCCCCCCCC(=O)[O-])ccc1O	ZINC000013832533	211062218	/nfs/dbraw/zinc/06/22/18/211062218.db2.gz	OQNXMNNFBRVVJP-UHFFFAOYSA-N	-1	0	365.470	4.003	1	0		FIAFRM
CC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000013833584	211061826	/nfs/dbraw/zinc/06/18/26/211061826.db2.gz	QOBDJBMGKSVCPC-UHFFFAOYSA-N	-1	0	362.429	4.125	1	0		FIAFRM
O=C([O-])[C@H]1CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1	ZINC000013826803	211061309	/nfs/dbraw/zinc/06/13/09/211061309.db2.gz	ZCNNJVHQDCMCNZ-GJZGRUSLSA-N	-1	0	358.800	4.455	1	0		FIAFRM
COc1ccc2c([O-])c(CCCCc3ccccc3OC)c(=O)oc2c1	ZINC000013738208	211056390	/nfs/dbraw/zinc/05/63/90/211056390.db2.gz	QMEBQZSYMFVDNH-UHFFFAOYSA-N	-1	0	354.402	4.081	1	0		FIAFRM
Cc1ccc(Cl)c(Nc2ccccc2C(=O)N[C@H](C)C(=O)[O-])c1Cl	ZINC000013438063	211034290	/nfs/dbraw/zinc/03/42/90/211034290.db2.gz	LOEPGBRKFZEPCZ-SNVBAGLBSA-N	-1	0	367.232	4.248	1	0		FIAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000003906684	210499047	/nfs/dbraw/zinc/49/90/47/210499047.db2.gz	TWQKBIPJZOFMIB-UHFFFAOYSA-N	-1	0	362.307	4.066	1	0		FIAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2c[nH]c3ccccc32)c1C	ZINC000003923829	210500410	/nfs/dbraw/zinc/50/04/10/210500410.db2.gz	PUAMCBIYRNRGBC-UHFFFAOYSA-N	-1	0	367.430	4.241	1	0		FIAFRM
Nc1nc2cc(COc3ccc(C(=O)[O-])cc3)ccc2nc1-c1ccccc1	ZINC000001639100	210363491	/nfs/dbraw/zinc/36/34/91/210363491.db2.gz	VUVLVEQZLCRMKA-UHFFFAOYSA-N	-1	0	371.396	4.156	1	0		FIAFRM
CC1(C)c2ccccc2C(C)(C)[C@@H](C(=O)Nc2ccccc2)[C@@H]1C(=O)[O-]	ZINC000001619897	210362695	/nfs/dbraw/zinc/36/26/95/210362695.db2.gz	HDLLAELPXJDNCH-QZTJIDSGSA-N	-1	0	351.446	4.211	1	0		FIAFRM
O=C([O-])c1cc2ccc(N3C(=S)N=NC3c3ccc(F)cc3)cc2s1	ZINC000096273169	222106935	/nfs/dbraw/zinc/10/69/35/222106935.db2.gz	IHIKRVUFDNSBCR-UHFFFAOYSA-N	-1	0	371.418	4.275	1	0		FIAFRM
O=C([O-])Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CCCC3)cc1	ZINC000096923883	222139727	/nfs/dbraw/zinc/13/97/27/222139727.db2.gz	ROFPRJBLRBBBHM-UHFFFAOYSA-N	-1	0	359.429	4.393	1	0		FIAFRM
O=C([O-])c1csc(N2N=C(c3ccccc3)C(=O)C2c2ccccc2)n1	ZINC000103250945	222329460	/nfs/dbraw/zinc/32/94/60/222329460.db2.gz	RMIFJFCVPBUPGD-UHFFFAOYSA-N	-1	0	363.398	4.067	1	0		FIAFRM
Cc1ccc(Nc2cnccc2[N-]S(=O)(=O)C(F)(F)F)cc1Cl	ZINC000103266650	222330893	/nfs/dbraw/zinc/33/08/93/222330893.db2.gz	WYVGTVJHYRLPIO-UHFFFAOYSA-N	-1	0	365.764	4.049	1	0		FIAFRM
COc1cc2c(cc1OC)C([O-])=C(C(=O)c1c(Cl)cccc1Cl)C2	ZINC000101324018	222270427	/nfs/dbraw/zinc/27/04/27/222270427.db2.gz	WEXGUXLSIINDOQ-NSHDSACASA-N	-1	0	365.212	4.249	1	0		FIAFRM
C[C@H](c1cccc2ccccc21)n1c(=O)cc([O-])n(C2CCCC2)c1=O	ZINC000101678085	222281108	/nfs/dbraw/zinc/28/11/08/222281108.db2.gz	FAVQHQUCWSUTEZ-CQSZACIVSA-N	-1	0	350.418	4.024	1	0		FIAFRM
Cc1cc(=O)n([C@@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)[n-]1	ZINC000064274778	212036640	/nfs/dbraw/zinc/03/66/40/212036640.db2.gz	SQRHLGYXTXOMII-MNOVXSKESA-N	-1	0	365.277	4.101	1	0		FIAFRM
C[S@@](=O)C[C@@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000040567203	211748580	/nfs/dbraw/zinc/74/85/80/211748580.db2.gz	YTBQLBSVAHMJNU-OUKNUOATSA-N	-1	0	366.567	4.479	1	0		FIAFRM
O=c1c2c([O-])nsc2n(C2CC2)c2cc(-c3ccc(O)cc3)c(F)cc12	ZINC000028571322	211494541	/nfs/dbraw/zinc/49/45/41/211494541.db2.gz	DBHRNNUAKNLSTN-UHFFFAOYSA-N	-1	0	368.389	4.163	1	0		FIAFRM
O=C([O-])CCn1c2ccc(NC(=O)c3ccccc3)cc2c2c1CCCC2	ZINC000028334435	211488370	/nfs/dbraw/zinc/48/83/70/211488370.db2.gz	FIZJRVZJHIYCLM-UHFFFAOYSA-N	-1	0	362.429	4.247	1	0		FIAFRM
Cc1nc2c(nccc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000026269445	211444958	/nfs/dbraw/zinc/44/49/58/211444958.db2.gz	GEKQJRHOBXNXBL-UHFFFAOYSA-N	-1	0	357.413	4.462	1	0		FIAFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](C)[C@H](C)C(=O)[O-])cc1	ZINC000013756190	211058870	/nfs/dbraw/zinc/05/88/70/211058870.db2.gz	PFLDPOZALLKJHW-CVEARBPZSA-N	-1	0	365.477	4.483	1	0		FIAFRM
[O-]c1cn(-c2ccc(Cl)cc2)nc1-c1nnc(Nc2ccccc2)o1	ZINC000003595317	210488157	/nfs/dbraw/zinc/48/81/57/210488157.db2.gz	MSCYCDDWOWJYKP-UHFFFAOYSA-N	-1	0	353.769	4.025	1	0		FIAFRM
O=C([O-])c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(F)cc1	ZINC000001647663	210364270	/nfs/dbraw/zinc/36/42/70/210364270.db2.gz	WGMQTIOOEZYVLD-UHFFFAOYSA-N	-1	0	351.259	4.230	1	0		FIAFRM
O=[P@]([O-])(O)[C@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1	ZINC000096285006	222111468	/nfs/dbraw/zinc/11/14/68/222111468.db2.gz	LOLLSFQJSJUGKS-IBGZPJMESA-N	-1	0	362.362	4.276	1	0		FIAFRM
Cc1cccc(-c2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccccc3)c2)c1	ZINC000103239718	222327729	/nfs/dbraw/zinc/32/77/29/222327729.db2.gz	XALULCUGGPZGDV-UHFFFAOYSA-N	-1	0	367.426	4.161	1	0		FIAFRM
Cc1cc2[nH]c(C(=O)[O-])cc(=O)c2c(C)c1Oc1ccc(O)c(C(C)C)c1	ZINC000028570772	581093117	/nfs/dbraw/zinc/09/31/17/581093117.db2.gz	NCPFGULZSPSFGH-UHFFFAOYSA-N	-1	0	367.401	4.464	1	0		FIAFRM
COc1cc(C)c2c(c1C)OC(=O)c1c(C)c(Cl)c([O-])c(C=O)c1O2	ZINC000001629865	210179066	/nfs/dbraw/zinc/17/90/66/210179066.db2.gz	LVGKNESDSKGROR-UHFFFAOYSA-N	-1	0	362.765	4.117	1	0		FIAFRM
COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(=O)[O-]	ZINC000038794061	211703254	/nfs/dbraw/zinc/70/32/54/211703254.db2.gz	OEIBPYXEHRSJOU-UHFFFAOYSA-N	-1	0	360.369	4.370	1	0	in-vitro	FIAFRM
COc1ccc(-c2nc(CC(=O)[O-])sc2-c2ccc(OC)cc2)cc1	ZINC000029252007	211508863	/nfs/dbraw/zinc/50/88/63/211508863.db2.gz	YIEWCXWSYMQASC-UHFFFAOYSA-N	-1	0	355.415	4.121	1	0		FIAFRM
Cc1ncccc1-c1cc2c(cc1F)c(=O)c1c([O-])nsc1n2C1CC1	ZINC000028572024	211493804	/nfs/dbraw/zinc/49/38/04/211493804.db2.gz	XOQKPULBJQSJFY-UHFFFAOYSA-N	-1	0	367.405	4.161	1	0		FIAFRM
O=S1(=O)[N-]c2c(ccc3cccnc32)-c2cc(C(F)(F)F)ccc21	ZINC000013817928	211061042	/nfs/dbraw/zinc/06/10/42/211061042.db2.gz	CELCJNIQYYQLHB-UHFFFAOYSA-N	-1	0	350.321	4.035	1	0		FIAFRM
O=C([O-])c1cc(=O)c2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2o1	ZINC000001624603	210362095	/nfs/dbraw/zinc/36/20/95/210362095.db2.gz	MTKHEIAZUOLSNV-UHFFFAOYSA-N	-1	0	369.181	4.091	1	0		FIAFRM
Nc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1	ZINC000066066261	221239327	/nfs/dbraw/zinc/23/93/27/221239327.db2.gz	UBMHUOWYROYDAE-HNNXBMFYSA-N	-1	0	369.726	4.381	1	0		FIAFRM
C[C@H](C(=O)[O-])[C@@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000003050280	132384742	/nfs/dbraw/zinc/38/47/42/132384742.db2.gz	OCPWXJIVNZLDPI-ZBEGNZNMSA-N	-1	0	361.850	4.068	1	0		FIAFRM
O=[P@]([O-])(O)[C@@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1	ZINC000096285007	222110331	/nfs/dbraw/zinc/11/03/31/222110331.db2.gz	LOLLSFQJSJUGKS-LJQANCHMSA-N	-1	0	362.362	4.276	1	0		FIAFRM
COc1cc(/C=C/C(=O)[O-])cc2cc(-c3ccc(F)c(N(C)C)c3)oc21	ZINC000096934920	222143268	/nfs/dbraw/zinc/14/32/68/222143268.db2.gz	MOYZGCJBCZXMHL-QPJJXVBHSA-N	-1	0	355.365	4.411	1	0		FIAFRM
CC(C)C[C@@H]1CC([O-])=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1	ZINC000100075862	222234204	/nfs/dbraw/zinc/23/42/04/222234204.db2.gz	DVDAPPSNQKTVOB-GOSISDBHSA-N	-1	0	370.493	4.420	1	0		FIAFRM
CNc1c2[nH]c(-c3ccc(OC)cc3)nc2ncc1-c1ccc(C(=O)[O-])cc1	ZINC000103248092	222327876	/nfs/dbraw/zinc/32/78/76/222327876.db2.gz	GHLLIWFJENEFSB-UHFFFAOYSA-N	-1	0	374.400	4.040	1	0		FIAFRM
O=C([O-])c1csc(-n2nc(-c3ccccc3)c3c2CCCCCC3)n1	ZINC000103254771	222328630	/nfs/dbraw/zinc/32/86/30/222328630.db2.gz	ABIIJQRWPNNYBC-UHFFFAOYSA-N	-1	0	353.447	4.353	1	0		FIAFRM
COc1c([O-])c2c(O)cc(-c3ccccc3)oc-2c(CC=C(C)C)c1=O	ZINC000069482230	291081040	/nfs/dbraw/zinc/08/10/40/291081040.db2.gz	MHZAQYFXGZQRQE-UHFFFAOYSA-N	-1	0	352.386	4.389	1	0	biogenic,in-vitro	FIAFRM
CCCC(=O)c1c(O)c(CC=C(C)C)c([O-])c2c([C@H](O)CC)cc(=O)oc12	ZINC000014586080	291080595	/nfs/dbraw/zinc/08/05/95/291080595.db2.gz	IQEXTUNPLYDHAD-CQSZACIVSA-N	-1	0	374.433	4.139	1	0	biogenic,in-vitro	FIAFRM
O=C([O-])CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)nc1	ZINC000036387387	211666620	/nfs/dbraw/zinc/66/66/20/211666620.db2.gz	JOPKEDNROZLCFB-UHFFFAOYSA-N	-1	0	362.216	4.394	3	0		FIAFRM
O=C([O-])/C(=C/c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1	ZINC000028520862	211492628	/nfs/dbraw/zinc/49/26/28/211492628.db2.gz	DJXASTXHZDJTTD-HKWRFOASSA-N	-1	0	359.381	4.334	1	0		FIAFRM
COc1ccc2c(c1)sc1nc(=O)c(-c3c(C)cc(C)cc3C)c([O-])n21	ZINC000017112038	211178862	/nfs/dbraw/zinc/17/88/62/211178862.db2.gz	SNDZHLYNQZVYBG-UHFFFAOYSA-N	-1	0	366.442	4.216	3	0		FIAFRM
CC1(C)c2ccccc2C(C)(C)[C@H](C(=O)Nc2ccccc2)[C@H]1C(=O)[O-]	ZINC000001619898	210361598	/nfs/dbraw/zinc/36/15/98/210361598.db2.gz	HDLLAELPXJDNCH-ROUUACIJSA-N	-1	0	351.446	4.211	1	0		FIAFRM
O=C([O-])c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1	ZINC000066148678	221242982	/nfs/dbraw/zinc/24/29/82/221242982.db2.gz	WVLWUNGHQAYWMA-UHFFFAOYSA-N	-1	0	351.387	4.262	1	0		FIAFRM
C[C@H](SC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)c1ccccc1	ZINC000071330134	221343845	/nfs/dbraw/zinc/34/38/45/221343845.db2.gz	VOAGEJFKUAJMTE-JTQLQIEISA-N	-1	0	352.868	4.305	1	0		FIAFRM
COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)[O-])cc2F)c1	ZINC000103277259	222330173	/nfs/dbraw/zinc/33/01/73/222330173.db2.gz	AAUOKRAJRPXVIO-UHFFFAOYSA-N	-1	0	356.328	4.477	1	0		FIAFRM
CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCSCC(=O)[O-]	ZINC000148571175	222548864	/nfs/dbraw/zinc/54/88/64/222548864.db2.gz	KCPJHQSGNZDCMD-HWFOWJIOSA-N	-1	0	370.555	4.457	1	0		FIAFRM
O=C([O-])c1ccccc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O	ZINC000000833254	219329007	/nfs/dbraw/zinc/32/90/07/219329007.db2.gz	PCIPREXMIVFQLQ-HTAPYJJXSA-N	-1	0	360.409	4.337	1	0		FIAFRM
C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(=O)[O-]	ZINC000085530897	291079321	/nfs/dbraw/zinc/07/93/21/291079321.db2.gz	WZUQHKYYDXBXCT-UHFFFAOYSA-N	-1	0	374.354	4.370	1	0	biogenic,in-vitro	FIAFRM
COc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1	ZINC000013125676	220059048	/nfs/dbraw/zinc/05/90/48/220059048.db2.gz	TUIMTUVNMKAOQE-UHFFFAOYSA-N	-1	0	367.352	4.309	1	0		FIAFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](C)[C@@H](C)C(=O)[O-])cc1	ZINC000013756185	220093550	/nfs/dbraw/zinc/09/35/50/220093550.db2.gz	PFLDPOZALLKJHW-JKSUJKDBSA-N	-1	0	365.477	4.483	1	0		FIAFRM
Cc1ccc2ccc3c(c2n1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-3	ZINC000013815945	220097041	/nfs/dbraw/zinc/09/70/41/220097041.db2.gz	MXKZFNJSAXLWNC-UHFFFAOYSA-N	-1	0	364.348	4.343	1	0		FIAFRM
O=S1(=O)[N-]c2c(cc(Cl)c3ccc(Cl)nc32)-c2ccccc21	ZINC000013815819	220097328	/nfs/dbraw/zinc/09/73/28/220097328.db2.gz	OMIZZMNUTMTZHK-UHFFFAOYSA-N	-1	0	351.214	4.323	1	0		FIAFRM
Cc1cc(=O)n([C@@H]2C[C@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)[n-]1	ZINC000064274776	221145960	/nfs/dbraw/zinc/14/59/60/221145960.db2.gz	SQRHLGYXTXOMII-GHMZBOCLSA-N	-1	0	365.277	4.101	1	0		FIAFRM
C[C@@H](SC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)c1ccccc1	ZINC000071330135	221343639	/nfs/dbraw/zinc/34/36/39/221343639.db2.gz	VOAGEJFKUAJMTE-SNVBAGLBSA-N	-1	0	352.868	4.305	1	0		FIAFRM
COc1ccc(-c2nc3cc(-c4ccc(C(=O)[O-])s4)cnc3[nH]2)cc1	ZINC000103248096	222328054	/nfs/dbraw/zinc/32/80/54/222328054.db2.gz	LTKDDAVQVRFMKQ-UHFFFAOYSA-N	-1	0	351.387	4.060	1	0		FIAFRM
O=C([O-])c1c2cc(F)ccc2nc2c1CCc1nc(-c3ccccc3)ncc1-2	ZINC000026840312	581101629	/nfs/dbraw/zinc/10/16/29/581101629.db2.gz	MVAYUOFWPROCBG-UHFFFAOYSA-N	-1	0	371.371	4.295	1	0		FIAFRM
COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(c1ccccc1)C2	ZINC000000841083	219328950	/nfs/dbraw/zinc/32/89/50/219328950.db2.gz	RNQHQDOYQDLKDV-UHFFFAOYSA-N	-1	0	361.363	4.231	1	0		FIAFRM
CCCc1cc(C(=O)OC)cc(Cl)c1O[C@@H](C(=O)[O-])c1ccccc1	ZINC000013539269	220072373	/nfs/dbraw/zinc/07/23/73/220072373.db2.gz	BYRCOLHSDXCBKC-QGZVFWFLSA-N	-1	0	362.809	4.284	1	0		FIAFRM
O=S(=O)([N-]c1cc(Cl)cc2c3ccncc3[nH]c21)c1ccccc1	ZINC000013535913	220072614	/nfs/dbraw/zinc/07/26/14/220072614.db2.gz	FYYSYFOJZPFEJJ-UHFFFAOYSA-N	-1	0	357.822	4.170	1	0		FIAFRM
O=C([O-])c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1	ZINC000013680195	220084149	/nfs/dbraw/zinc/08/41/49/220084149.db2.gz	OHGPTRSIFLGIJX-UHFFFAOYSA-N	-1	0	363.373	4.003	1	0		FIAFRM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](C)[C@H](C)C(=O)[O-])cc1	ZINC000013756188	220093158	/nfs/dbraw/zinc/09/31/58/220093158.db2.gz	PFLDPOZALLKJHW-HOTGVXAUSA-N	-1	0	365.477	4.483	1	0		FIAFRM
O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(C2CC2)c1)O3	ZINC000096269841	222106681	/nfs/dbraw/zinc/10/66/81/222106681.db2.gz	MURYVBCFTSNION-QRWLVFNGSA-N	-1	0	352.386	4.027	1	0		FIAFRM
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OCCC(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000118920104	222513459	/nfs/dbraw/zinc/51/34/59/222513459.db2.gz	IHKFDRLOFTXDIY-DMNIQJBYSA-N	-1	0	362.510	4.458	1	0		FIAFRM
O=CNc1cc(C(=O)[O-])cc(NCc2ccccc2)c1Oc1ccccc1	ZINC000169343300	222565220	/nfs/dbraw/zinc/56/52/20/222565220.db2.gz	YLGMAERAXKVNCL-UHFFFAOYSA-N	-1	0	362.385	4.358	1	0		FIAFRM
CC(=O)Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F	ZINC000000603820	219305465	/nfs/dbraw/zinc/30/54/65/219305465.db2.gz	LZGACSIEPSVAQK-UHFFFAOYSA-N	-1	0	351.246	4.110	1	0		FIAFRM
CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@]3(C)C(C(=O)[O-])=CCC[C@H]23)C(=O)O1	ZINC000095912858	291081027	/nfs/dbraw/zinc/08/10/27/291081027.db2.gz	LKCDRCCSEGFFNK-LDLGKWBMSA-N	-1	0	362.466	4.086	1	0	biogenic,in-vitro	FIAFRM
O=C([O-])C1=C(c2ccccc2)c2ccccc2O[C@H]1c1ccc2c(c1)OCO2	ZINC000013473344	220068143	/nfs/dbraw/zinc/06/81/43/220068143.db2.gz	UCOQIZHGNIKEJW-QFIPXVFZSA-N	-1	0	372.376	4.436	1	0		FIAFRM
C=Cc1cc([O-])c(Br)c2nc(-c3ccc(O)c(F)c3)oc21	ZINC000013583734	220076926	/nfs/dbraw/zinc/07/69/26/220076926.db2.gz	OWJBLZLBZZVCHZ-UHFFFAOYSA-N	-1	0	350.143	4.451	1	0		FIAFRM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OCCC(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000013671472	220082794	/nfs/dbraw/zinc/08/27/94/220082794.db2.gz	IHKFDRLOFTXDIY-WSKGSGNSSA-N	-1	0	362.510	4.458	1	0		FIAFRM
O=C([O-])c1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2	ZINC000013755779	220093870	/nfs/dbraw/zinc/09/38/70/220093870.db2.gz	PSPKANWULWVLMF-UHFFFAOYSA-N	-1	0	363.457	4.484	1	0		FIAFRM
CCCNC(=O)c1[nH]c2cc(C)c(C(=O)[O-])cc2c1CCc1ccccc1	ZINC000029037384	220591128	/nfs/dbraw/zinc/59/11/28/220591128.db2.gz	ACEBLJDVMMZUKR-UHFFFAOYSA-N	-1	0	364.445	4.100	1	0		FIAFRM
[O-]c1c(Br)cc(-c2ccc(CO)cc2)cc1Br	ZINC000029412234	220604181	/nfs/dbraw/zinc/60/41/81/220604181.db2.gz	WTWDFYHCMOLSRI-UHFFFAOYSA-N	-1	0	358.029	4.077	1	0		FIAFRM
Cc1[nH]c2cc(C)ccc2c1[C@@H]1Cc2ccccc2N1C(=O)/C=C\C(=O)[O-]	ZINC000031829934	220646367	/nfs/dbraw/zinc/64/63/67/220646367.db2.gz	ICPQBEJQAPCPHR-VJIACCKLSA-N	-1	0	360.413	4.056	1	0		FIAFRM
NC(=O)Nc1cc(-c2ccc(Oc3ccccc3)cc2)sc1C(=O)[O-]	ZINC000103288728	222331341	/nfs/dbraw/zinc/33/13/41/222331341.db2.gz	ZKLBVMDNXRMPDX-UHFFFAOYSA-N	-1	0	354.387	4.396	1	0		FIAFRM
O=C([O-])c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1	ZINC000001648929	219414382	/nfs/dbraw/zinc/41/43/82/219414382.db2.gz	VPJRQGBLCIRRIW-UHFFFAOYSA-N	-1	0	351.259	4.230	1	0		FIAFRM
COc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)[O-])CCC2)c(F)c1	ZINC000013534070	220071865	/nfs/dbraw/zinc/07/18/65/220071865.db2.gz	OVKNEBRXQLZHFQ-UHFFFAOYSA-N	-1	0	373.355	4.144	1	0		FIAFRM
CCCCCC[S@@](=O)C[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2	ZINC000028018877	220557287	/nfs/dbraw/zinc/55/72/87/220557287.db2.gz	DXUUKSQGPDLBMH-BUYAVDSKSA-N	-1	0	370.555	4.310	1	0		FIAFRM
C[C@@H](C(=O)[O-])[C@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000003050283	132384730	/nfs/dbraw/zinc/38/47/30/132384730.db2.gz	OCPWXJIVNZLDPI-BDJLRTHQSA-N	-1	0	361.850	4.068	1	0		FIAFRM
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(C(=O)[O-])s1	ZINC000096271709	222107587	/nfs/dbraw/zinc/10/75/87/222107587.db2.gz	ILZRIJTYONAFQV-UHFFFAOYSA-N	-1	0	370.434	4.465	1	0		FIAFRM
O=c1c2c[n-]c3ccc(Cl)cc3c-2nn1-c1nc2ccccc2s1	ZINC000102842828	222310213	/nfs/dbraw/zinc/31/02/13/222310213.db2.gz	AALWHSYWTBCMAQ-UHFFFAOYSA-N	-1	0	352.806	4.082	1	0		FIAFRM
CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)/C=C\CCCC(=O)[O-]	ZINC000012496228	571695383	/nfs/dbraw/zinc/69/53/83/571695383.db2.gz	JBRPFYYLEQERPG-XTIXYJHRSA-N	-1	0	360.494	4.491	1	0	endogenous,in-man	FIAFRM
Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000028822718	581094426	/nfs/dbraw/zinc/09/44/26/581094426.db2.gz	PYEXAJOHIMHJGE-UHFFFAOYSA-N	-1	0	370.352	4.089	1	0		FIAFRM
CC(C)N(C(=O)COc1ccc(-c2ccc(C(=O)[O-])cc2)cc1)C(C)C	ZINC000000840841	219328578	/nfs/dbraw/zinc/32/85/78/219328578.db2.gz	DHYMWAUMKQLZEI-UHFFFAOYSA-N	-1	0	355.434	4.076	1	0		FIAFRM
O=c1c2ccc([O-])cc2oc(Oc2ccc(O)cc2)c1-c1ccc(O)cc1	ZINC000013489431	220069597	/nfs/dbraw/zinc/06/95/97/220069597.db2.gz	GKHHBTLBBYIXLF-UHFFFAOYSA-N	-1	0	362.337	4.369	1	0		FIAFRM
COc1c(C)c(C)c(Br)c(O)c1C/C=C(\C)CCC(=O)[O-]	ZINC000013759742	220093950	/nfs/dbraw/zinc/09/39/50/220093950.db2.gz	ZYGQIARNLRVSHK-WEVVVXLNSA-N	-1	0	357.244	4.134	1	0		FIAFRM
Nc1nc(S[C@@H](C(=O)[O-])c2ccccc2)nc2sc3c(c21)CCCC3	ZINC000045288994	220968285	/nfs/dbraw/zinc/96/82/85/220968285.db2.gz	JIQZAJZGIZSGNR-CQSZACIVSA-N	-1	0	371.487	4.070	1	0		FIAFRM
O=C([O-])/C=C/c1ccc(/C=C2\NC(=O)C(c3ccccc3)=C2c2ccco2)o1	ZINC000045390383	220971050	/nfs/dbraw/zinc/97/10/50/220971050.db2.gz	HSZMZNHHUMSGEH-HNMBUVAWSA-N	-1	0	373.364	4.052	1	0		FIAFRM
C[C@@H](C(=O)[O-])[C@@H]1Sc2ccccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000003050281	132384797	/nfs/dbraw/zinc/38/47/97/132384797.db2.gz	OCPWXJIVNZLDPI-BZNIZROVSA-N	-1	0	361.850	4.068	1	0		FIAFRM
Cc1c(CCC(=O)[O-])c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1	ZINC000095585466	221964646	/nfs/dbraw/zinc/96/46/46/221964646.db2.gz	IRIACGXTWHBCDK-UHFFFAOYSA-N	-1	0	359.784	4.448	1	0		FIAFRM
Cc1ccccc1C1N=NC(=S)N1c1ccc2cc(C(=O)[O-])sc2c1	ZINC000096273172	222106913	/nfs/dbraw/zinc/10/69/13/222106913.db2.gz	DNCMATNHZJSRBY-UHFFFAOYSA-N	-1	0	367.455	4.444	1	0		FIAFRM
Cc1cccc(C2N=NC(=S)N2c2ccc3cc(C(=O)[O-])sc3c2)c1	ZINC000096273171	222107811	/nfs/dbraw/zinc/10/78/11/222107811.db2.gz	RVYRKTYJQLKPGI-UHFFFAOYSA-N	-1	0	367.455	4.444	1	0		FIAFRM
O=C([O-])c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2CC3)n1	ZINC000098065456	222223485	/nfs/dbraw/zinc/22/34/85/222223485.db2.gz	SEQWRWUIQBOBID-UHFFFAOYSA-N	-1	0	373.437	4.460	1	0		FIAFRM
O=C([O-])c1ccc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)cc1	ZINC000103236466	222328027	/nfs/dbraw/zinc/32/80/27/222328027.db2.gz	GVMGPQHXRIFVME-MAEOIBBWSA-N	-1	0	372.396	4.036	1	0		FIAFRM
O=C([O-])CN1c2cc(OCc3ccccc3)ccc2Nc2ccccc2C1=O	ZINC000000592762	219305425	/nfs/dbraw/zinc/30/54/25/219305425.db2.gz	YTAKRFVKWAPNOF-UHFFFAOYSA-N	-1	0	374.396	4.054	1	0		FIAFRM
CC(C)=CCc1c(=O)cc2oc(Oc3ccc(O)cc3)cc(O)c-2c1[O-]	ZINC000014814670	291080171	/nfs/dbraw/zinc/08/01/71/291080171.db2.gz	CGFVPOAVSIYUCQ-UHFFFAOYSA-N	-1	0	354.358	4.211	1	0	biogenic,in-vitro	FIAFRM
O=C1CCCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000103205837	222325360	/nfs/dbraw/zinc/32/53/60/222325360.db2.gz	HHXYXPARZDOJIF-CYBMUJFWSA-N	-1	0	369.792	4.002	1	0		FIAFRM
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)[O-])cc5C[C@]34C)[C@H]1CC[C@@H]2O	ZINC000169372134	222567096	/nfs/dbraw/zinc/56/70/96/222567096.db2.gz	YRTQKPWOTFXIJI-TVHXCBJHSA-N	-1	0	358.478	4.296	1	0		FIAFRM
O=C([O-])c1cc(F)cc(C(=O)CCc2cc(Cl)ccc2Cl)c1O	ZINC000066156663	221242609	/nfs/dbraw/zinc/24/26/09/221242609.db2.gz	PTWPVFXDJUAKBE-UHFFFAOYSA-N	-1	0	357.164	4.352	1	0		FIAFRM
O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(C2CC2)c1)O3	ZINC000096269842	222106662	/nfs/dbraw/zinc/10/66/62/222106662.db2.gz	MURYVBCFTSNION-FOIQADDNSA-N	-1	0	352.386	4.027	1	0		FIAFRM
COc1ccc(NC(=O)c2c(C)c(C)sc2NC(=O)C(F)(F)F)cc1	ZINC000103300927	222333766	/nfs/dbraw/zinc/33/37/66/222333766.db2.gz	NPVRPTRIRHRXQA-UHFFFAOYSA-N	-1	0	372.368	4.127	1	0		FIAFRM
COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)[O-])CCC3)c(F)c2)c1	ZINC000028524030	581099410	/nfs/dbraw/zinc/09/94/10/581099410.db2.gz	MYEJDVPGYUELCG-UHFFFAOYSA-N	-1	0	373.355	4.144	1	0		FIAFRM
CCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1ccc(C)c(C)c1	ZINC000000201602	219304729	/nfs/dbraw/zinc/30/47/29/219304729.db2.gz	DYISVYOFROXMCC-UHFFFAOYSA-N	-1	0	350.418	4.079	1	0		FIAFRM
COc1c2cc(-c3ccccc3O)c(=O)oc2cc([O-])c1CC=C(C)C	ZINC000070455492	291081028	/nfs/dbraw/zinc/08/10/28/291081028.db2.gz	JGLRISGHFZSJRD-UHFFFAOYSA-N	-1	0	352.386	4.389	1	0	biogenic,in-vitro	FIAFRM
Cc1[nH]c2ccccc2c1[C@@H]1Cc2cccc(C)c2N1C(=O)/C=C\C(=O)[O-]	ZINC000005722808	219695333	/nfs/dbraw/zinc/69/53/33/219695333.db2.gz	DTNZRPUSXRQORW-LENZSSGSSA-N	-1	0	360.413	4.056	1	0		FIAFRM
O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1	ZINC000013861870	220098138	/nfs/dbraw/zinc/09/81/38/220098138.db2.gz	ZMLKTTGOZOAAOW-UHFFFAOYSA-N	-1	0	365.366	4.018	1	0		FIAFRM
CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC[C@@H]2C/C=C\CCCC(=O)[O-])CCC1	ZINC000013837205	220096481	/nfs/dbraw/zinc/09/64/81/220096481.db2.gz	RHDMZEUUDSELOB-MVFPXBJFSA-N	-1	0	364.526	4.462	1	0		FIAFRM
CC(C)(CC(=O)[O-])Cc1nc2cccnc2n1Cc1ccc(Cl)cc1	ZINC000013826799	220096753	/nfs/dbraw/zinc/09/67/53/220096753.db2.gz	KEOWZMVAXWDKSK-UHFFFAOYSA-N	-1	0	357.841	4.176	1	0		FIAFRM
O=C([O-])[C@@H]1Cc2c3oc(-c4ccccc4)nc3c(Cl)c(Cl)c2O1	ZINC000026647737	220517770	/nfs/dbraw/zinc/51/77/70/220517770.db2.gz	HITNACNUGCINNG-VIFPVBQESA-N	-1	0	350.157	4.190	1	0		FIAFRM
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(CC(=O)[O-])cc2)cc1	ZINC000028710933	220582233	/nfs/dbraw/zinc/58/22/33/220582233.db2.gz	YIHZHITVXJHIPE-UHFFFAOYSA-N	-1	0	360.335	4.494	1	0		FIAFRM
Cc1cc(NC(=O)C(=O)[O-])c2c(c1Oc1ccc(O)c(C(C)C)c1)CCC2	ZINC000038459396	220851860	/nfs/dbraw/zinc/85/18/60/220851860.db2.gz	DOZADTKWJRWWHA-UHFFFAOYSA-N	-1	0	369.417	4.128	1	0		FIAFRM
O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccco1	ZINC000043067788	220945110	/nfs/dbraw/zinc/94/51/10/220945110.db2.gz	MFXBEPUXBFMHDD-UHFFFAOYSA-N	-1	0	362.457	4.419	1	0		FIAFRM
Cc1cc(=O)n([C@H]2C[C@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)[n-]1	ZINC000058511474	221120900	/nfs/dbraw/zinc/12/09/00/221120900.db2.gz	SQRHLGYXTXOMII-WDEREUQCSA-N	-1	0	365.277	4.101	1	0		FIAFRM
O=C([O-])c1c(O)c([C@H]2Cc3ccccc32)nc2c1cccc2C(F)(F)F	ZINC000064373448	221145744	/nfs/dbraw/zinc/14/57/44/221145744.db2.gz	SSSFQYWCPJBPKK-LBPRGKRZSA-N	-1	0	359.303	4.345	1	0		FIAFRM
O=C([O-])c1cn(C/C=C/c2ccc(Cl)cc2)c2c(F)cccc2c1=O	ZINC000071335379	221343853	/nfs/dbraw/zinc/34/38/53/221343853.db2.gz	DYZZCTWEHLUWPF-NSCUHMNNSA-N	-1	0	357.768	4.206	1	0		FIAFRM
CC(=O)C(=O)N(c1ccccc1Cc1ccccc1)c1ccccc1C(=O)[O-]	ZINC000103222607	222326800	/nfs/dbraw/zinc/32/68/00/222326800.db2.gz	PIARYCZBLKOBDS-UHFFFAOYSA-N	-1	0	373.408	4.229	1	0		FIAFRM