smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c1OC	ZINC000012652148	195076389	/nfs/dbraw/zinc/07/63/89/195076389.db2.gz	KYAUZTFDPILTAM-VMPITWQZSA-N	-2	0	489.575	3.812	50	0		JHAARL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000020761418	195217801	/nfs/dbraw/zinc/21/78/01/195217801.db2.gz	RESXCVLESBEZFU-NRFANRHFSA-N	-2	0	498.491	3.838	50	0	biogenic	JHAARL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C(=O)[O-])c1C	ZINC000033253794	523632414	/nfs/dbraw/zinc/63/24/14/523632414.db2.gz	GCPHVQQLRHDJIK-UHFFFAOYSA-N	-2	0	492.548	3.976	50	0		JHAARL
O=S(=O)([N-]c1nccs1)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)cc1	ZINC000002662749	554275861	/nfs/dbraw/zinc/27/58/61/554275861.db2.gz	CWNQOZKLNDHNDS-UHFFFAOYSA-N	-2	0	483.902	3.815	50	0		JHAARL
Cc1c(C(=O)[O-])c2cc([N-]S(=O)(=O)c3cccs3)ccc2n1S(=O)(=O)c1cccs1	ZINC000008871877	554767882	/nfs/dbraw/zinc/76/78/82/554767882.db2.gz	CJBWXXBEXRMAQX-UHFFFAOYSA-N	-2	0	482.586	3.809	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1	ZINC000020275061	555749694	/nfs/dbraw/zinc/74/96/94/555749694.db2.gz	JFFQNCVXIJHXRV-UHFFFAOYSA-N	-2	0	454.476	3.575	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N-]S(=O)(=O)c3cccc(C)c3)C[C@@H]2C)c1	ZINC000021152434	195283637	/nfs/dbraw/zinc/28/36/37/195283637.db2.gz	QVDCEBXGQWQDBL-IBGZPJMESA-N	-2	0	480.590	3.913	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)c(C)cc1C	ZINC000001226913	553936019	/nfs/dbraw/zinc/93/60/19/553936019.db2.gz	SPASDIWYZSHOSJ-UHFFFAOYSA-N	-2	0	476.576	3.922	50	0		JHAARL
O=C(c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000018153235	556294715	/nfs/dbraw/zinc/29/47/15/556294715.db2.gz	OWSVNHUGABXGTR-UNMCSNQZSA-N	-2	0	477.442	3.924	50	0		JHAARL
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000032934978	556550223	/nfs/dbraw/zinc/55/02/23/556550223.db2.gz	MSFOZFMLHFBHOC-UHFFFAOYSA-N	-2	0	478.523	3.604	50	0		JHAARL
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012605733	195051514	/nfs/dbraw/zinc/05/15/14/195051514.db2.gz	WVLFCZICQIACHZ-UHFFFAOYSA-N	-2	0	490.456	3.853	50	0		JHAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1NC([N-]S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F	ZINC000004207853	525463436	/nfs/dbraw/zinc/46/34/36/525463436.db2.gz	QHQRZLHOKTUHRP-UHFFFAOYSA-N	-2	0	494.417	3.685	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000063600950	569615740	/nfs/dbraw/zinc/61/57/40/569615740.db2.gz	UMPRMPZUBAHWLO-UHFFFAOYSA-N	-2	0	475.567	3.708	50	0		JHAARL
CC1CCN(c2ncc([N-]S(=O)(=O)c3ccc(Br)s3)cc2C(=O)[O-])CC1	ZINC000021533841	195310615	/nfs/dbraw/zinc/31/06/15/195310615.db2.gz	KBDULCWCLLKGGW-UHFFFAOYSA-N	-2	0	460.375	3.641	50	0		JHAARL
COc1cc([C@H]2c3sc(=O)[nH]c3SC[C@]2(CC(=O)[O-])C(=O)[O-])ccc1OCc1ccccc1	ZINC000096318849	130063783	/nfs/dbraw/zinc/06/37/83/130063783.db2.gz	YFNWUOJJUKBOHC-MBSDFSHPSA-N	-2	0	487.555	3.807	50	0		JHAARL
Cc1noc(C)c1CCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000033254132	526488286	/nfs/dbraw/zinc/48/82/86/526488286.db2.gz	PGFBPEHPGXJTDV-UHFFFAOYSA-N	-2	0	465.478	3.748	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1	ZINC000009490985	555267622	/nfs/dbraw/zinc/26/76/22/555267622.db2.gz	PAQAHCIYMHYMTM-UHFFFAOYSA-N	-2	0	490.559	3.508	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N-]S(=O)(=O)c3ccccc3)C[C@H]2C)c1	ZINC000021883446	555857076	/nfs/dbraw/zinc/85/70/76/555857076.db2.gz	SWFOONUZHPRZSW-GOSISDBHSA-N	-2	0	466.563	3.604	50	0		JHAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c1C	ZINC000013078960	556278451	/nfs/dbraw/zinc/27/84/51/556278451.db2.gz	CKKZRCBWKSHBMS-UHFFFAOYSA-N	-2	0	482.514	3.826	50	0		JHAARL
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1	ZINC000036384370	563128495	/nfs/dbraw/zinc/12/84/95/563128495.db2.gz	BSPAXLYVDMQAIL-KRWDZBQOSA-N	-2	0	452.532	3.996	50	0		JHAARL
COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(OC)cc1Cl	ZINC000013349791	555379937	/nfs/dbraw/zinc/37/99/37/555379937.db2.gz	OEOUBBJXUXTZLS-UHFFFAOYSA-N	-2	0	450.694	3.619	50	0		JHAARL
O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21	ZINC000096115033	569734146	/nfs/dbraw/zinc/73/41/46/569734146.db2.gz	BTXZVAVQZUKQOW-INIZCTEOSA-N	-2	0	474.421	3.776	50	0	biogenic	JHAARL
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc21	ZINC000012782745	195125531	/nfs/dbraw/zinc/12/55/31/195125531.db2.gz	XVRPJSCLGXXOTJ-UHFFFAOYSA-N	-2	0	488.905	3.743	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cccs4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021533852	195310486	/nfs/dbraw/zinc/31/04/86/195310486.db2.gz	BRSXVXAQEIHLJI-INIZCTEOSA-N	-2	0	472.592	3.666	50	0		JHAARL
COc1cc([C@@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)[O-])C(=O)[O-])ccc1OCc1ccccc1	ZINC000096318847	130063805	/nfs/dbraw/zinc/06/38/05/130063805.db2.gz	YFNWUOJJUKBOHC-WZONZLPQSA-N	-2	0	487.555	3.807	50	0		JHAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1	ZINC000033253460	524879611	/nfs/dbraw/zinc/87/96/11/524879611.db2.gz	MCOSSSDNEZTNFO-UHFFFAOYSA-N	-2	0	456.520	3.839	50	0		JHAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253089	524880394	/nfs/dbraw/zinc/88/03/94/524880394.db2.gz	MTZLKNALNAJCHU-UHFFFAOYSA-N	-2	0	497.573	3.529	50	0		JHAARL
COCCOc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(C(=O)[O-])cc1OC	ZINC000024978013	556167165	/nfs/dbraw/zinc/16/71/65/556167165.db2.gz	PBIZLMOGEMZBNE-UHFFFAOYSA-N	-2	0	494.747	3.635	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCN(c2ccccc2F)CC1	ZINC000032961657	556578641	/nfs/dbraw/zinc/57/86/41/556578641.db2.gz	SLWBARJTKLURIW-UHFFFAOYSA-N	-2	0	461.540	3.713	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000035397779	569688298	/nfs/dbraw/zinc/68/82/98/569688298.db2.gz	FMGJMGJTRPTOFP-UHFFFAOYSA-N	-2	0	492.001	3.653	50	0		JHAARL
CCn1nc(C)c(CCN(C)c2ncc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])c1C	ZINC000035397866	569688561	/nfs/dbraw/zinc/68/85/61/569688561.db2.gz	VALXRPQLLRXXIY-UHFFFAOYSA-N	-2	0	498.030	3.808	50	0		JHAARL
Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)cc3C2=O)cc1C	ZINC000000755093	193910539	/nfs/dbraw/zinc/91/05/39/193910539.db2.gz	OLRQXVBUAJPZQF-UHFFFAOYSA-N	-2	0	458.426	3.753	50	0		JHAARL
CCOC(=O)c1sc2nc3c(SCC(=O)[O-])cc(C(=O)c4ccccc4[O-])cn3c(=O)c2c1C	ZINC000003426098	194320115	/nfs/dbraw/zinc/32/01/15/194320115.db2.gz	WRFNFMUNJVHPGT-UHFFFAOYSA-N	-2	0	498.538	3.508	50	0		JHAARL
COc1cc([C@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)[O-])C(=O)[O-])ccc1OCc1ccccc1	ZINC000095560238	129913748	/nfs/dbraw/zinc/91/37/48/129913748.db2.gz	YFNWUOJJUKBOHC-FDDCHVKYSA-N	-2	0	487.555	3.807	50	0		JHAARL
CCCCN(CC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000035479699	520483262	/nfs/dbraw/zinc/48/32/62/520483262.db2.gz	XDNJFLHQBFNHNE-UHFFFAOYSA-N	-2	0	456.362	3.970	50	0		JHAARL
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2Cl)CC1	ZINC000033253943	520585873	/nfs/dbraw/zinc/58/58/73/520585873.db2.gz	NURNCILZPKIMLT-UHFFFAOYSA-N	-2	0	466.943	3.619	50	0		JHAARL
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(Cl)ccc2OC)C1	ZINC000033253867	521302930	/nfs/dbraw/zinc/30/29/30/521302930.db2.gz	GLIXTVQDRBIXDO-HNNXBMFYSA-N	-2	0	496.969	3.627	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCN(c2ccccc2)CC1	ZINC000033253102	526352177	/nfs/dbraw/zinc/35/21/77/526352177.db2.gz	IUIQFTBJDLSBKS-UHFFFAOYSA-N	-2	0	473.501	3.790	50	0		JHAARL
Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)cc3C2=O)c(C)c1	ZINC000008853677	554749528	/nfs/dbraw/zinc/74/95/28/554749528.db2.gz	LTKOLZXFYRTSJL-UHFFFAOYSA-N	-2	0	458.426	3.753	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cccs4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021533849	555851283	/nfs/dbraw/zinc/85/12/83/555851283.db2.gz	BRSXVXAQEIHLJI-MRXNPFEDSA-N	-2	0	472.592	3.666	50	0		JHAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)c1OC	ZINC000034800032	563115164	/nfs/dbraw/zinc/11/51/64/563115164.db2.gz	AVXYHWJZXFEEOG-QPJJXVBHSA-N	-2	0	466.562	3.934	50	0		JHAARL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(C)CCCc2c(C)nn(C)c2C)cc1	ZINC000064844098	569638431	/nfs/dbraw/zinc/63/84/31/569638431.db2.gz	VUKMWFJZMDRLHW-UHFFFAOYSA-N	-2	0	485.610	3.562	50	0		JHAARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(N(C)Cc2ccccc2)c(C(=O)[O-])c1	ZINC000035397357	569688131	/nfs/dbraw/zinc/68/81/31/569688131.db2.gz	ZUFRHVMSEUYDDX-UHFFFAOYSA-N	-2	0	461.927	3.879	50	0		JHAARL
COc1cc([C@@H]2c3sc(=O)[nH]c3SC[C@]2(CC(=O)[O-])C(=O)[O-])ccc1OCc1ccccc1	ZINC000096318848	130063779	/nfs/dbraw/zinc/06/37/79/130063779.db2.gz	YFNWUOJJUKBOHC-JPYJTQIMSA-N	-2	0	487.555	3.807	50	0		JHAARL
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)c1OC	ZINC000033481535	521978874	/nfs/dbraw/zinc/97/88/74/521978874.db2.gz	AVXYHWJZXFEEOG-DAXSKMNVSA-N	-2	0	466.562	3.934	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000033253697	527621415	/nfs/dbraw/zinc/62/14/15/527621415.db2.gz	BMZGGZZTENGFOL-UHFFFAOYSA-N	-2	0	492.548	3.883	50	0		JHAARL
COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cc1OC	ZINC000013278962	555370809	/nfs/dbraw/zinc/37/08/09/555370809.db2.gz	WSCYEHUKCCXSAJ-UHFFFAOYSA-N	-2	0	462.343	3.687	50	0		JHAARL
COCCOc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])cc1OC	ZINC000023058086	556004318	/nfs/dbraw/zinc/00/43/18/556004318.db2.gz	KTNDKDBOFGUKOM-UHFFFAOYSA-N	-2	0	450.296	3.526	50	0		JHAARL
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(OC)c1	ZINC000020628400	195191124	/nfs/dbraw/zinc/19/11/24/195191124.db2.gz	UCGXNNXMDPEGPK-UHFFFAOYSA-N	-2	0	484.530	3.774	50	0		JHAARL
O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1	ZINC000002121798	554056317	/nfs/dbraw/zinc/05/63/17/554056317.db2.gz	IQRUHTBIEWHPTI-ZHZULCJRSA-N	-2	0	458.495	3.795	50	0		JHAARL
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000002207686	554093532	/nfs/dbraw/zinc/09/35/32/554093532.db2.gz	NKRAYEVPROGAIE-UHFFFAOYSA-N	-2	0	450.476	3.886	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000025265131	556206848	/nfs/dbraw/zinc/20/68/48/556206848.db2.gz	YJLMZPLMKQPOGK-UHFFFAOYSA-N	-2	0	496.950	3.648	50	0		JHAARL
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000032961903	556579615	/nfs/dbraw/zinc/57/96/15/556579615.db2.gz	NYCUVZVHBIHHDE-UHFFFAOYSA-N	-2	0	461.540	3.713	50	0		JHAARL
O=S(=O)([N-]c1ccccn1)c1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000054363633	569590350	/nfs/dbraw/zinc/59/03/50/569590350.db2.gz	NVPCGUJGRWVZLY-UHFFFAOYSA-N	-2	0	482.543	3.871	50	0		JHAARL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1Cl	ZINC000062640151	569613976	/nfs/dbraw/zinc/61/39/76/569613976.db2.gz	NLSHXBYRRZBMQZ-UHFFFAOYSA-N	-2	0	488.949	3.577	50	0		JHAARL
O=C([O-])c1ccc(N2CCN(Cc3ccccc3F)CC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000063600990	569615745	/nfs/dbraw/zinc/61/57/45/569615745.db2.gz	UOXJOSIQMACSJM-UHFFFAOYSA-N	-2	0	475.567	3.708	50	0		JHAARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000033449019	569626448	/nfs/dbraw/zinc/62/64/48/569626448.db2.gz	OOOAGTCJZFFTRN-NVNXTCNLSA-N	-2	0	474.853	3.717	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2)c(C(=O)[O-])c1	ZINC000012798521	195137876	/nfs/dbraw/zinc/13/78/76/195137876.db2.gz	PDDAZBBDYCEORH-UHFFFAOYSA-N	-2	0	497.934	3.615	50	0		JHAARL
CC(=O)Oc1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000002931735	519758714	/nfs/dbraw/zinc/75/87/14/519758714.db2.gz	GNRJUOIBXCJDSI-UHFFFAOYSA-N	-2	0	462.414	3.513	50	0		JHAARL
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2Cl)C1	ZINC000033253877	521303346	/nfs/dbraw/zinc/30/33/46/521303346.db2.gz	ARPIAJRGFOCAOR-HNNXBMFYSA-N	-2	0	466.943	3.619	50	0		JHAARL
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1OCC(=O)NC1CCCCC1	ZINC000016319998	524851590	/nfs/dbraw/zinc/85/15/90/524851590.db2.gz	LOZMNPOTGYHSDN-UHFFFAOYSA-N	-2	0	480.970	3.975	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000033253059	526352352	/nfs/dbraw/zinc/35/23/52/526352352.db2.gz	UXTPILSBGRJZAL-UHFFFAOYSA-N	-2	0	491.491	3.930	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000025392320	556212492	/nfs/dbraw/zinc/21/24/92/556212492.db2.gz	GKPAPIBFEOONPN-UHFFFAOYSA-N	-3	0	496.950	3.648	50	0		JHAARL
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)(C)C)c2)c1OC	ZINC000096991257	569743936	/nfs/dbraw/zinc/74/39/36/569743936.db2.gz	BKIGTVXPHWMHHO-KTKRTIGZSA-N	-2	0	462.524	3.587	50	0		JHAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100933118	569776272	/nfs/dbraw/zinc/77/62/72/569776272.db2.gz	JWRQUTBOYGORNK-ZEQRLZLVSA-N	-2	0	458.518	3.763	50	0		JHAARL
O=S(=O)([N-]c1cccnc1)c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1	ZINC000001136591	194042138	/nfs/dbraw/zinc/04/21/38/194042138.db2.gz	QBVMMMZLNUOXAO-UHFFFAOYSA-N	-2	0	466.544	3.745	50	0		JHAARL
O=C([O-])c1ccc(S(=O)(=O)c2ccc(Sc3ccc(C(=O)[O-])c(C(=O)[O-])c3)cc2)cc1	ZINC000003185216	194235816	/nfs/dbraw/zinc/23/58/16/194235816.db2.gz	LACLXLZSEHMSBB-UHFFFAOYSA-N	-3	0	458.469	3.765	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N-]S(=O)(=O)c3cccc(F)c3)C[C@H]2C)c1	ZINC000021152425	195283539	/nfs/dbraw/zinc/28/35/39/195283539.db2.gz	REUWWPFBVLODLU-QGZVFWFLSA-N	-2	0	484.553	3.743	50	0		JHAARL
Cc1ccc(S(=O)(=O)[N-]C(=O)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1	ZINC000002369551	554169638	/nfs/dbraw/zinc/16/96/38/554169638.db2.gz	RRTRBMSMOWHBOW-UHFFFAOYSA-N	-2	0	482.465	3.634	50	0		JHAARL
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000002413120	554193260	/nfs/dbraw/zinc/19/32/60/554193260.db2.gz	CWUQCFJCUPQMKB-UHFFFAOYSA-N	-2	0	450.476	3.881	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883376	555857238	/nfs/dbraw/zinc/85/72/38/555857238.db2.gz	IPJXEJSGZKLAGL-QGZVFWFLSA-N	-2	0	484.553	3.743	50	0		JHAARL
COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)[O-])CC1	ZINC000032961651	556578376	/nfs/dbraw/zinc/57/83/76/556578376.db2.gz	KCGAXKASYHGATP-UHFFFAOYSA-N	-2	0	473.576	3.582	50	0		JHAARL
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000032961924	556580038	/nfs/dbraw/zinc/58/00/38/556580038.db2.gz	LVDPPUDIVINCJP-UHFFFAOYSA-N	-2	0	473.576	3.582	50	0		JHAARL
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1	ZINC000036384371	563128493	/nfs/dbraw/zinc/12/84/93/563128493.db2.gz	BSPAXLYVDMQAIL-QGZVFWFLSA-N	-2	0	452.532	3.996	50	0		JHAARL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000002196949	194158083	/nfs/dbraw/zinc/15/80/83/194158083.db2.gz	ZLPHJFVPRQDJKY-UHFFFAOYSA-N	-2	0	493.501	3.536	50	0		JHAARL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1	ZINC000009863905	195002856	/nfs/dbraw/zinc/00/28/56/195002856.db2.gz	ODMUGUTVERZJEC-UHFFFAOYSA-N	-2	0	466.562	3.526	50	0		JHAARL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000021883431	526490570	/nfs/dbraw/zinc/49/05/70/526490570.db2.gz	FCFNAWOVEPTNEN-UHFFFAOYSA-N	-2	0	465.478	3.748	50	0		JHAARL
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)[O-])c2)c1	ZINC000002864937	554390899	/nfs/dbraw/zinc/39/08/99/554390899.db2.gz	NRFNRRCUSBDEQE-UHFFFAOYSA-N	-2	0	474.878	3.790	50	0		JHAARL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000009546282	555340979	/nfs/dbraw/zinc/34/09/79/555340979.db2.gz	MOTWZCBZEJQJNI-UHFFFAOYSA-N	-2	0	478.523	3.604	50	0		JHAARL
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3F)CC2)cc1	ZINC000032961945	569602564	/nfs/dbraw/zinc/60/25/64/569602564.db2.gz	ZMTYOITWCRAQKH-UHFFFAOYSA-N	-2	0	485.537	3.660	50	0		JHAARL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])C1	ZINC000032962058	569602841	/nfs/dbraw/zinc/60/28/41/569602841.db2.gz	JRNXVARFLZWOBF-LBPRGKRZSA-N	-2	0	472.972	3.680	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000064844090	569638071	/nfs/dbraw/zinc/63/80/71/569638071.db2.gz	SYNGYVBBYGDYEH-UHFFFAOYSA-N	-2	0	485.610	3.617	50	0		JHAARL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(C)CCc2c(C)nn(CC)c2C)cc1	ZINC000064844250	569638279	/nfs/dbraw/zinc/63/82/79/569638279.db2.gz	YMVYJUIKXJKBCT-UHFFFAOYSA-N	-2	0	485.610	3.655	50	0		JHAARL
CCn1nc(C)c(CCN(C)c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C	ZINC000064844245	569638320	/nfs/dbraw/zinc/63/83/20/569638320.db2.gz	WUKCZXRGFARESZ-UHFFFAOYSA-N	-2	0	485.610	3.710	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-]	ZINC000035397768	569688308	/nfs/dbraw/zinc/68/83/08/569688308.db2.gz	HLWTXIRWXPNPSY-UHFFFAOYSA-N	-2	0	498.030	3.715	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCN(Cc2cccc(F)c2)CC1	ZINC000085593028	569711023	/nfs/dbraw/zinc/71/10/23/569711023.db2.gz	DRDVSUACBZGBAD-UHFFFAOYSA-N	-2	0	475.567	3.708	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1	ZINC000095950212	569731455	/nfs/dbraw/zinc/73/14/55/569731455.db2.gz	CUAXJYYZUUZPOJ-UHFFFAOYSA-N	-2	0	454.476	3.575	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1	ZINC000012548417	556026286	/nfs/dbraw/zinc/02/62/86/556026286.db2.gz	WQOBNFCJOVZZDT-UHFFFAOYSA-N	-2	0	499.570	3.859	50	0		JHAARL
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3F)CC2)cc1	ZINC000032961947	569602552	/nfs/dbraw/zinc/60/25/52/569602552.db2.gz	UAHKTFYCLNENTC-UHFFFAOYSA-N	-2	0	469.538	3.960	50	0		JHAARL
O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c21	ZINC000217879582	569881971	/nfs/dbraw/zinc/88/19/71/569881971.db2.gz	AWKNYIJWCKENRK-INIZCTEOSA-N	-2	0	474.421	3.776	50	0	biogenic	JHAARL
O=S(=O)([N-]c1nccs1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000002264977	194158909	/nfs/dbraw/zinc/15/89/09/194158909.db2.gz	WXDRUVHRDGLTMZ-UHFFFAOYSA-N	-2	0	474.383	3.507	50	0		JHAARL
CN(Cc1ccccc1)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000035479669	523354506	/nfs/dbraw/zinc/35/45/06/523354506.db2.gz	WOHUCOYLWACJIR-UHFFFAOYSA-N	-2	0	476.352	3.980	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N-]S(=O)(=O)c3ccccc3)C[C@@H]2C)c1	ZINC000021883447	524561794	/nfs/dbraw/zinc/56/17/94/524561794.db2.gz	SWFOONUZHPRZSW-SFHVURJKSA-N	-2	0	466.563	3.604	50	0		JHAARL
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1	ZINC000008836429	554736380	/nfs/dbraw/zinc/73/63/80/554736380.db2.gz	SMCUXBJQECRQAC-UHFFFAOYSA-N	-2	0	450.476	3.881	50	0		JHAARL
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)[N-]CC(=O)[O-]	ZINC000009033228	554867592	/nfs/dbraw/zinc/86/75/92/554867592.db2.gz	WJZAIXAIFJQAJF-OMBYLKBJSA-N	-2	0	479.664	3.511	50	0	biogenic	JHAARL
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000023866168	556094485	/nfs/dbraw/zinc/09/44/85/556094485.db2.gz	BEQXEERMKOSSDQ-UHFFFAOYSA-N	-2	0	453.083	3.850	50	0		JHAARL
CCOC(=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)C1	ZINC000064843679	569638149	/nfs/dbraw/zinc/63/81/49/569638149.db2.gz	YMUUOWFZLCZTBZ-SFHVURJKSA-N	-2	0	489.594	3.559	50	0		JHAARL
O=C([O-])c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000003259796	194254531	/nfs/dbraw/zinc/25/45/31/194254531.db2.gz	ARMUFFXXBAJXFD-UHFFFAOYSA-N	-2	0	478.515	3.877	50	0		JHAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)c1	ZINC000033253906	524878626	/nfs/dbraw/zinc/87/86/26/524878626.db2.gz	SNXZAHJQHPMEOH-UHFFFAOYSA-N	-2	0	456.520	3.839	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C	ZINC000035479726	527621690	/nfs/dbraw/zinc/62/16/90/527621690.db2.gz	NZGMYPUPZVWPIT-UHFFFAOYSA-N	-2	0	499.637	3.925	50	0		JHAARL
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1	ZINC000032961911	556579693	/nfs/dbraw/zinc/57/96/93/556579693.db2.gz	FQGFYAOXQQPYDJ-UHFFFAOYSA-N	-2	0	491.491	3.930	50	0		JHAARL
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-]	ZINC000035397882	569688543	/nfs/dbraw/zinc/68/85/43/569688543.db2.gz	WVJOEWPJQVQFAQ-UHFFFAOYSA-N	-2	0	484.003	3.847	50	0		JHAARL
O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c21	ZINC000217879674	569882026	/nfs/dbraw/zinc/88/20/26/569882026.db2.gz	AWKNYIJWCKENRK-MRXNPFEDSA-N	-2	0	474.421	3.776	50	0	biogenic	JHAARL
COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000263586003	570171469	/nfs/dbraw/zinc/17/14/69/570171469.db2.gz	OWMVPTMESZCOFP-DWXRJYCRSA-N	-2	0	479.485	3.730	50	0	biogenic	JHAARL
COc1cc(S(=O)(=O)[N-]c2ccccc2C)c(OC)cc1S(=O)(=O)[N-]c1ccccc1C	ZINC000001440293	194120806	/nfs/dbraw/zinc/12/08/06/194120806.db2.gz	NECDVFQFFCFICN-UHFFFAOYSA-N	-2	0	476.576	3.922	50	0		JHAARL
O=C([O-])c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000001900419	554002368	/nfs/dbraw/zinc/00/23/68/554002368.db2.gz	LOEXMOWJWJEMLR-UHFFFAOYSA-N	-2	0	478.515	3.877	50	0		JHAARL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1	ZINC000002229890	554104751	/nfs/dbraw/zinc/10/47/51/554104751.db2.gz	AICSNHMTSPBRGK-UHFFFAOYSA-N	-2	0	477.502	3.831	50	0		JHAARL
O=C([O-])[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002560017	554235992	/nfs/dbraw/zinc/23/59/92/554235992.db2.gz	AMXUJIHSMANWDW-QFIPXVFZSA-N	-3	0	483.413	3.693	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1	ZINC000013469847	555402508	/nfs/dbraw/zinc/40/25/08/555402508.db2.gz	PZPJJIJTYSKOEQ-UHFFFAOYSA-N	-2	0	462.524	3.565	50	0		JHAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1C	ZINC000008718153	569596944	/nfs/dbraw/zinc/59/69/44/569596944.db2.gz	NPDUECRJZTZCQC-UHFFFAOYSA-N	-2	0	468.487	3.783	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000064844087	569638082	/nfs/dbraw/zinc/63/80/82/569638082.db2.gz	WHQUDMRSVGHJQH-UHFFFAOYSA-N	-2	0	485.610	3.617	50	0		JHAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)ccc1Br	ZINC000003325789	194282966	/nfs/dbraw/zinc/28/29/66/194282966.db2.gz	YNVSHWZEAMSSRI-UHFFFAOYSA-N	-2	0	489.347	3.878	50	0		JHAARL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc2)no1	ZINC000012508179	525286851	/nfs/dbraw/zinc/28/68/51/525286851.db2.gz	VLCXBKMYIUVSIR-UHFFFAOYSA-N	-2	0	462.336	3.891	50	0		JHAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-]	ZINC000002123440	554057154	/nfs/dbraw/zinc/05/71/54/554057154.db2.gz	LKUCMBCSRHWARF-KRWDZBQOSA-N	-2	0	461.923	3.506	50	0	biogenic	JHAARL
O=C([O-])c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)[O-])c(C(=O)[O-])c3)cc2)c(C(=O)[O-])c1	ZINC000002496516	554228330	/nfs/dbraw/zinc/22/83/30/554228330.db2.gz	YAZBUXYVODEYQE-UHFFFAOYSA-N	-4	0	450.355	3.503	50	0		JHAARL
O=C([O-])CSc1cc(C(=O)c2ccccc2[O-])cn2c(=O)c3c(nc12)sc1c3CCCC1	ZINC000009119425	554910493	/nfs/dbraw/zinc/91/04/93/554910493.db2.gz	NVBGEYPWPGKWNJ-UHFFFAOYSA-N	-2	0	466.540	3.901	50	0		JHAARL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])C1	ZINC000032962057	569602838	/nfs/dbraw/zinc/60/28/38/569602838.db2.gz	JRNXVARFLZWOBF-GFCCVEGCSA-N	-2	0	472.972	3.680	50	0		JHAARL
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000033047681	526347559	/nfs/dbraw/zinc/34/75/59/526347559.db2.gz	KHAXCAKKSYSDOP-UHFFFAOYSA-N	-2	0	453.083	3.850	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1	ZINC000009704291	555429808	/nfs/dbraw/zinc/42/98/08/555429808.db2.gz	MAEPUZFGNMESBY-UHFFFAOYSA-N	-2	0	472.466	3.714	50	0		JHAARL
COCCOc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)[O-])cc1OC	ZINC000022134276	555880516	/nfs/dbraw/zinc/88/05/16/555880516.db2.gz	TYQOMCUSSARIOK-UHFFFAOYSA-N	-2	0	456.325	3.588	50	0		JHAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)(C)C)c2)c1OC	ZINC000025473630	556217616	/nfs/dbraw/zinc/21/76/16/556217616.db2.gz	BKIGTVXPHWMHHO-MDZDMXLPSA-N	-2	0	462.524	3.587	50	0		JHAARL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(c3nsc4ccccc43)CC1)cn2CCC(=O)[O-]	ZINC000036360566	569772698	/nfs/dbraw/zinc/77/26/98/569772698.db2.gz	MPTRHDNNUOVVHB-QHCPKHFHSA-N	-2	0	494.573	3.682	50	0		JHAARL
COc1cccc2c([O-])c(C(CC(C)C)c3c([O-])c4cccc(OC)c4n(C)c3=O)c(=O)n(C)c12	ZINC000137077771	569864824	/nfs/dbraw/zinc/86/48/24/569864824.db2.gz	UMNREFMRKIMKRF-UHFFFAOYSA-N	-2	0	478.545	3.997	50	0		JHAARL
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000012659408	195079492	/nfs/dbraw/zinc/07/94/92/195079492.db2.gz	JVRIKPRMMKCTQA-FPKCDSDLSA-N	-2	0	467.603	3.854	50	0	biogenic	JHAARL
Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N-]S(=O)(=O)c3cccc(F)c3)C[C@@H]2C)c1	ZINC000021152428	195283472	/nfs/dbraw/zinc/28/34/72/195283472.db2.gz	REUWWPFBVLODLU-KRWDZBQOSA-N	-2	0	484.553	3.743	50	0		JHAARL
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883377	524563425	/nfs/dbraw/zinc/56/34/25/524563425.db2.gz	IPJXEJSGZKLAGL-KRWDZBQOSA-N	-2	0	484.553	3.743	50	0		JHAARL
O=C(c1[n-][n-]c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000016034492	556118321	/nfs/dbraw/zinc/11/83/21/556118321.db2.gz	XWVXQVZQNDJPIM-IRLDBZIGSA-N	-2	0	477.442	3.924	50	0		JHAARL
O=C([O-])c1ccc(C(c2ccc(C(=O)[O-])c(C(=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)[O-]	ZINC000002379670	194160406	/nfs/dbraw/zinc/16/04/06/194160406.db2.gz	APXJLYIVOFARRM-UHFFFAOYSA-N	-4	0	480.269	3.890	50	0		JHAARL
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2Cl)C1	ZINC000033253876	521120762	/nfs/dbraw/zinc/12/07/62/521120762.db2.gz	ARPIAJRGFOCAOR-OAHLLOKOSA-N	-2	0	466.943	3.619	50	0		JHAARL
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000013347642	555378000	/nfs/dbraw/zinc/37/80/00/555378000.db2.gz	ZDQRLRYJNZHTGV-UHFFFAOYSA-N	-2	0	488.949	3.820	50	0		JHAARL
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OC)c1	ZINC000015245406	555890626	/nfs/dbraw/zinc/89/06/26/555890626.db2.gz	VEMMGSXPVSRKAU-UHFFFAOYSA-N	-2	0	462.505	3.517	50	0		JHAARL
COc1ccc(C(c2c([O-])c3ccccc3oc2=O)c2c([O-])c3ccccc3oc2=O)cc1OC	ZINC000003177189	194234689	/nfs/dbraw/zinc/23/46/89/194234689.db2.gz	NXZDJBZFMOLPMB-DHIUTWEWSA-N	-2	0	472.449	3.624	50	0		JHAARL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000013343146	555376400	/nfs/dbraw/zinc/37/64/00/555376400.db2.gz	KNWCTBKUKPIUAR-CYBMUJFWSA-N	-2	0	452.699	3.839	50	0		JHAARL
O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000013343148	555376663	/nfs/dbraw/zinc/37/66/63/555376663.db2.gz	KNWCTBKUKPIUAR-ZDUSSCGKSA-N	-2	0	452.699	3.839	50	0		JHAARL
COc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009739375	555470933	/nfs/dbraw/zinc/47/09/33/555470933.db2.gz	VGPXDVKGRDDLDQ-UHFFFAOYSA-N	-2	0	454.476	3.575	50	0		JHAARL
CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])CC1	ZINC000015862175	556035156	/nfs/dbraw/zinc/03/51/56/556035156.db2.gz	VZBALKRAPGRDBH-UHFFFAOYSA-N	-2	0	472.972	3.680	50	0		JHAARL
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000008720285	569597980	/nfs/dbraw/zinc/59/79/80/569597980.db2.gz	FLDICFXCYNTZKI-UHFFFAOYSA-N	-2	0	454.504	3.766	50	0		JHAARL
O=C(c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000101363188	569794433	/nfs/dbraw/zinc/79/44/33/569794433.db2.gz	OWSVNHUGABXGTR-RBBKRZOGSA-N	-2	0	477.442	3.924	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000012798512	195137886	/nfs/dbraw/zinc/13/78/86/195137886.db2.gz	HCRQTNMELKVUDD-UHFFFAOYSA-N	-2	0	497.934	3.615	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCN(c2ccccc2F)CC1	ZINC000033253136	526352706	/nfs/dbraw/zinc/35/27/06/526352706.db2.gz	RUFHGJQQDSMRAD-UHFFFAOYSA-N	-2	0	491.491	3.930	50	0		JHAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1	ZINC000002121067	554055956	/nfs/dbraw/zinc/05/59/56/554055956.db2.gz	NCXDXJNLPMDYGT-UHFFFAOYSA-N	-2	0	455.894	3.648	50	0	biogenic	JHAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1OC	ZINC000009203098	554973239	/nfs/dbraw/zinc/97/32/39/554973239.db2.gz	SLOMFZFFHXSUCY-ZHACJKMWSA-N	-2	0	498.561	3.587	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000009714512	555443977	/nfs/dbraw/zinc/44/39/77/555443977.db2.gz	UBNRSYSMOFDNJP-UHFFFAOYSA-N	-2	0	474.969	3.717	50	0		JHAARL
O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000063600988	569615664	/nfs/dbraw/zinc/61/56/64/569615664.db2.gz	AQCXCSQNHWWBQS-UHFFFAOYSA-N	-2	0	475.567	3.708	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)cnc1N1CCCCCC1	ZINC000035397426	569688046	/nfs/dbraw/zinc/68/80/46/569688046.db2.gz	JBCFOTWMUVACMD-UHFFFAOYSA-N	-2	0	460.375	3.785	50	0		JHAARL
O=C([O-])c1cccc(I)c1-c1c(I)cccc1C(=O)[O-]	ZINC000043214938	569838159	/nfs/dbraw/zinc/83/81/59/569838159.db2.gz	DBLYRRRBLARJMU-UHFFFAOYSA-N	-2	0	494.022	3.959	50	0		JHAARL
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3C(=O)[O-])[C@H]2C1=O	ZINC000245311328	570063413	/nfs/dbraw/zinc/06/34/13/570063413.db2.gz	NMPBEPIWKKUHAG-DNVJHFABSA-N	-2	0	458.470	3.835	50	0		JHAARL
COc1ccc(C(c2c([O-])c3ccccc3oc2=O)c2c([O-])c3ccccc3oc2=O)cc1OC	ZINC000248136543	570075165	/nfs/dbraw/zinc/07/51/65/570075165.db2.gz	NXZDJBZFMOLPMB-WBDAEOGXSA-N	-2	0	472.449	3.624	50	0		JHAARL
COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000263586004	570171445	/nfs/dbraw/zinc/17/14/45/570171445.db2.gz	OWMVPTMESZCOFP-HFJWLAOPSA-N	-2	0	479.485	3.730	50	0	biogenic	JHAARL
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000012659405	195079354	/nfs/dbraw/zinc/07/93/54/195079354.db2.gz	JVRIKPRMMKCTQA-ZHUIYAEISA-N	-2	0	467.603	3.854	50	0	biogenic	JHAARL
O=C(c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000016034180	556118261	/nfs/dbraw/zinc/11/82/61/556118261.db2.gz	OWSVNHUGABXGTR-IFMALSPDSA-N	-2	0	477.442	3.924	50	0		JHAARL
COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000263586006	570171511	/nfs/dbraw/zinc/17/15/11/570171511.db2.gz	OWMVPTMESZCOFP-WXTAPIANSA-N	-2	0	479.485	3.730	50	0	biogenic	JHAARL
O=C([O-])c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)[O-])c(C(=O)[O-])c3)cc2)cc1C(=O)[O-]	ZINC000003123138	194228579	/nfs/dbraw/zinc/22/85/79/194228579.db2.gz	FQQOHTKXWWKMPA-UHFFFAOYSA-N	-4	0	450.355	3.503	50	0		JHAARL
COc1ccc(C(c2c([O-])c3ccccc3oc2=O)c2c([O-])c3ccccc3oc2=O)cc1OC	ZINC000003177184	194234685	/nfs/dbraw/zinc/23/46/85/194234685.db2.gz	NXZDJBZFMOLPMB-GOTSBHOMSA-N	-2	0	472.449	3.624	50	0		JHAARL
O=C([O-])c1cnc2ccc(Cl)cc2c1Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000019795563	526341786	/nfs/dbraw/zinc/34/17/86/526341786.db2.gz	QEFRTGBCRCRHGJ-UHFFFAOYSA-N	-2	0	454.895	3.948	50	0		JHAARL
Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1	ZINC000002377057	554173991	/nfs/dbraw/zinc/17/39/91/554173991.db2.gz	PABRUQSGNFNZMJ-UHFFFAOYSA-N	-2	0	473.363	3.693	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000032962267	569603073	/nfs/dbraw/zinc/60/30/73/569603073.db2.gz	AZFHJCODKUTUBV-UHFFFAOYSA-N	-2	0	462.597	3.666	50	0		JHAARL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)[O-])c1C	ZINC000032971077	569603643	/nfs/dbraw/zinc/60/36/43/569603643.db2.gz	GFMWUHPSSZCKMS-UHFFFAOYSA-N	-2	0	462.597	3.759	50	0		JHAARL
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000035397890	569688588	/nfs/dbraw/zinc/68/85/88/569688588.db2.gz	WXJGUECEZUENNA-UHFFFAOYSA-N	-2	0	477.974	3.785	50	0		JHAARL
CCn1nc(C)c(CCN(C)c2ncc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])c1C	ZINC000035397871	569688638	/nfs/dbraw/zinc/68/86/38/569688638.db2.gz	XIYSPTASKYPVNB-UHFFFAOYSA-N	-2	0	492.001	3.746	50	0		JHAARL
O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21	ZINC000096115034	569733991	/nfs/dbraw/zinc/73/39/91/569733991.db2.gz	BTXZVAVQZUKQOW-MRXNPFEDSA-N	-2	0	474.421	3.776	50	0	biogenic	JHAARL
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000001041688	194008184	/nfs/dbraw/zinc/00/81/84/194008184.db2.gz	OZKOCMDFAIZGGZ-UHFFFAOYSA-N	-2	0	474.560	3.692	50	0		JHAARL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(c3nsc4ccccc43)CC1)cn2CCC(=O)[O-]	ZINC000036360567	569772706	/nfs/dbraw/zinc/77/27/06/569772706.db2.gz	MPTRHDNNUOVVHB-HSZRJFAPSA-N	-2	0	494.573	3.682	50	0		JHAARL
CCOc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)c1	ZINC000245311306	570063336	/nfs/dbraw/zinc/06/33/36/570063336.db2.gz	MXEXZYNIEJUBQB-DNVJHFABSA-N	-2	0	458.470	3.835	50	0		JHAARL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)[O-])C1	ZINC000033253397	521303428	/nfs/dbraw/zinc/30/34/28/521303428.db2.gz	OFQBCGXSUSHAQO-AWEZNQCLSA-N	-2	0	496.969	3.627	50	0		JHAARL
C[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000035479670	524250730	/nfs/dbraw/zinc/25/07/30/524250730.db2.gz	PKNORUAYWXXERK-GFCCVEGCSA-N	-2	0	454.346	3.579	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1	ZINC000009126136	554919580	/nfs/dbraw/zinc/91/95/80/554919580.db2.gz	HGBKTSPXVAQMLD-UHFFFAOYSA-N	-2	0	454.476	3.575	50	0		JHAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)ccc1Cl	ZINC000023955986	556104329	/nfs/dbraw/zinc/10/43/29/556104329.db2.gz	ZVHYJQUHLBKRLQ-UHFFFAOYSA-N	-2	0	458.923	3.812	50	0		JHAARL
CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)[O-])CC2)cc1	ZINC000032961579	556578002	/nfs/dbraw/zinc/57/80/02/556578002.db2.gz	KSTOEBNKNJYJQJ-UHFFFAOYSA-N	-2	0	485.587	3.776	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000032961647	556578523	/nfs/dbraw/zinc/57/85/23/556578523.db2.gz	UXJROXCTJREMSX-UHFFFAOYSA-N	-2	0	461.540	3.713	50	0		JHAARL
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000032961946	569602558	/nfs/dbraw/zinc/60/25/58/569602558.db2.gz	GWZLWZCXMZRUGQ-UHFFFAOYSA-N	-2	0	455.511	3.651	50	0		JHAARL
COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000263586005	570171490	/nfs/dbraw/zinc/17/14/90/570171490.db2.gz	OWMVPTMESZCOFP-QYBDOPJKSA-N	-2	0	479.485	3.730	50	0	biogenic	JHAARL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)no1	ZINC000001114675	194029046	/nfs/dbraw/zinc/02/90/46/194029046.db2.gz	AIUGQCNCXRFMIJ-UHFFFAOYSA-N	-2	0	462.336	3.891	50	0		JHAARL
CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)c1C	ZINC000021533891	195310672	/nfs/dbraw/zinc/31/06/72/195310672.db2.gz	ZRQKFXZIPVRCKV-UHFFFAOYSA-N	-2	0	462.597	3.759	50	0		JHAARL
CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)[O-])CC1	ZINC000033253518	520584896	/nfs/dbraw/zinc/58/48/96/520584896.db2.gz	ALHNILJLQSDDHI-UHFFFAOYSA-N	-2	0	496.969	3.627	50	0		JHAARL
CCOc1ccc2nc([N-]S(=O)(=O)c3cc(/C=C/C(=O)[O-])cc(OC)c3OC)sc2c1	ZINC000025286612	521305276	/nfs/dbraw/zinc/30/52/76/521305276.db2.gz	YXNWHTFUADSJAY-VMPITWQZSA-N	-2	0	464.521	3.611	50	0		JHAARL
Cc1nn(C)c(C)c1CCCN(C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1	ZINC000035479728	527620692	/nfs/dbraw/zinc/62/06/92/527620692.db2.gz	KHWHDTPECXPRSN-UHFFFAOYSA-N	-2	0	485.610	3.617	50	0		JHAARL
O=C(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)Nc1sc2c(c1C(=O)[O-])CCCC2	ZINC000101103832	569783049	/nfs/dbraw/zinc/78/30/49/569783049.db2.gz	YPICOTGMYIIOIK-UHFFFAOYSA-N	-2	0	462.549	3.931	50	0		JHAARL
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000012629122	195061461	/nfs/dbraw/zinc/06/14/61/195061461.db2.gz	OGXHWQINZQYZMI-LZYBPNLTSA-N	-2	0	492.303	3.847	50	0		JHAARL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)[O-])C1	ZINC000033253396	521121278	/nfs/dbraw/zinc/12/12/78/521121278.db2.gz	OFQBCGXSUSHAQO-CQSZACIVSA-N	-2	0	496.969	3.627	50	0		JHAARL
Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)cc3C2=O)c1C	ZINC000009986319	555585052	/nfs/dbraw/zinc/58/50/52/555585052.db2.gz	UOCCRQUSJCNLQH-UHFFFAOYSA-N	-2	0	458.426	3.753	50	0		JHAARL
CCOC(=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)C1	ZINC000064843674	569638205	/nfs/dbraw/zinc/63/82/05/569638205.db2.gz	YMUUOWFZLCZTBZ-GOSISDBHSA-N	-2	0	489.594	3.559	50	0		JHAARL
CC(C)(C)[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)[O-])CC4)cc3c(C(=O)[O-])c2C1	ZINC000020413875	518946403	/nfs/dbraw/zinc/94/64/03/518946403.db2.gz	AWYDJKLWZMOLCD-OAHLLOKOSA-N	-2	0	474.579	3.569	50	0		JHAARL
CC(C)(C)[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)[O-])CC4)cc3c(C(=O)[O-])c2C1	ZINC000020413878	518979515	/nfs/dbraw/zinc/97/95/15/518979515.db2.gz	AWYDJKLWZMOLCD-HNNXBMFYSA-N	-2	0	474.579	3.569	50	0		JHAARL
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(Cl)ccc2OC)C1	ZINC000033253866	521120546	/nfs/dbraw/zinc/12/05/46/521120546.db2.gz	GLIXTVQDRBIXDO-OAHLLOKOSA-N	-2	0	496.969	3.627	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1C	ZINC000009704278	555429501	/nfs/dbraw/zinc/42/95/01/555429501.db2.gz	ORRKGWJIJUZMMG-UHFFFAOYSA-N	-2	0	468.503	3.883	50	0		JHAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])c1	ZINC000033006981	569614990	/nfs/dbraw/zinc/61/49/90/569614990.db2.gz	ZGFXUVUXIIHYHA-UHFFFAOYSA-N	-2	0	497.573	3.529	50	0		JHAARL
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)[N-]CC(=O)[O-]	ZINC000009033230	554867618	/nfs/dbraw/zinc/86/76/18/554867618.db2.gz	WJZAIXAIFJQAJF-HSGHKLBJSA-N	-2	0	479.664	3.511	50	0	biogenic	JHAARL
CCCn1nc(C)cc1CN(C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000064844266	569638267	/nfs/dbraw/zinc/63/82/67/569638267.db2.gz	MNLLXSDSOLYWJH-UHFFFAOYSA-N	-2	0	487.582	3.531	50	0		JHAARL
C[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000035479672	524109237	/nfs/dbraw/zinc/10/92/37/524109237.db2.gz	PKNORUAYWXXERK-LBPRGKRZSA-N	-2	0	454.346	3.579	50	0		JHAARL
O=C([O-])[C@H](Cc1ccc(C[P@](=O)([O-])O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002560016	554235979	/nfs/dbraw/zinc/23/59/79/554235979.db2.gz	OBRYXGOVBZKHLL-QHCPKHFHSA-N	-2	0	481.441	3.899	50	0		JHAARL
O=S(=O)([N-]c1ccccn1)c1ccc2c(c1)Cc1cc(S(=O)(=O)[N-]c3ccccn3)ccc1-2	ZINC000005345042	554488617	/nfs/dbraw/zinc/48/86/17/554488617.db2.gz	SJDHJUDIYKCOFN-UHFFFAOYSA-N	-2	0	478.555	3.649	50	0		JHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1N1CCN(c2ccccn2)CC1	ZINC000032961644	556578430	/nfs/dbraw/zinc/57/84/30/556578430.db2.gz	BQBRKXGANPGUMP-UHFFFAOYSA-N	-2	0	478.983	3.622	50	0		JHAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1	ZINC000062581148	569611882	/nfs/dbraw/zinc/61/18/82/569611882.db2.gz	AXZBEHIXWCCCOF-UHFFFAOYSA-N	-2	0	498.586	3.542	50	0		JHAARL
O=C([O-])c1cnc(N2CCCCCC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000064843775	569638201	/nfs/dbraw/zinc/63/82/01/569638201.db2.gz	LNXDUBCDYSXVDV-UHFFFAOYSA-N	-2	0	454.346	3.724	50	0		JHAARL
O=C([O-])CCC(CCC(=O)[O-])(CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000038335948	569801405	/nfs/dbraw/zinc/80/14/05/569801405.db2.gz	DEILWPSAZJGRAT-UHFFFAOYSA-N	-3	0	469.490	3.858	50	0		JHAARL
Cc1oc(C)c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000003889326	194366630	/nfs/dbraw/zinc/36/66/30/194366630.db2.gz	LGMLBDMORBHMHE-UHFFFAOYSA-N	-2	0	450.447	3.655	50	0		JHAARL