smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1C(=O)[O-]	ZINC000075572835	205580447	/nfs/dbraw/zinc/58/04/47/205580447.db2.gz	CLRGFDNPUZAIAL-UHFFFAOYSA-N	-1	2	357.391	2.680	50	0		FFAALM
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cn1	ZINC000507932590	514615537	/nfs/dbraw/zinc/61/55/37/514615537.db2.gz	FHXPYKUKWZFJHC-UHFFFAOYSA-N	-1	2	350.396	2.676	50	0		FFAALM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OC	ZINC000057123427	205235573	/nfs/dbraw/zinc/23/55/73/205235573.db2.gz	BPLYBFOPXNAZOI-UHFFFAOYSA-N	-1	2	371.798	2.856	50	0		FFAALM
COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(OC)c1	ZINC000045774434	206080595	/nfs/dbraw/zinc/08/05/95/206080595.db2.gz	LYWSIZDOMUYWLY-UHFFFAOYSA-N	-1	2	357.409	2.573	50	0		FFAALM
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1	ZINC000267862791	509647845	/nfs/dbraw/zinc/64/78/45/509647845.db2.gz	IVUURLQPVZCZJU-UHFFFAOYSA-N	-1	2	367.427	2.750	50	0		FFAALM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-]	ZINC000169988294	571260344	/nfs/dbraw/zinc/26/03/44/571260344.db2.gz	MVPDNJHHIRHXDQ-UHFFFAOYSA-N	-1	2	351.428	2.888	50	0		FFAALM
Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000079725627	507995923	/nfs/dbraw/zinc/99/59/23/507995923.db2.gz	ANPFFCOULWMUFL-UHFFFAOYSA-N	-1	2	351.428	2.509	50	0		FFAALM
O=c1cc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)nc2[nH]cnn21	ZINC000102440005	508274933	/nfs/dbraw/zinc/27/49/33/508274933.db2.gz	YSZYCHAEDZCXTA-CQSZACIVSA-N	-1	2	373.407	2.541	50	0		FFAALM
CCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])s1	ZINC000048354332	206082497	/nfs/dbraw/zinc/08/24/97/206082497.db2.gz	DRCREWUUQAYCJU-UHFFFAOYSA-N	-1	2	371.436	2.827	50	0		FFAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c1	ZINC000071808759	205028861	/nfs/dbraw/zinc/02/88/61/205028861.db2.gz	WIIRZCCBOQLUPA-UHFFFAOYSA-N	-1	2	367.326	2.988	50	0		FFAALM
CC1(C)Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2O1	ZINC000058381494	221116811	/nfs/dbraw/zinc/11/68/11/221116811.db2.gz	BYUJQFUAGCUYNK-UHFFFAOYSA-N	-1	2	355.393	2.754	50	0		FFAALM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1	ZINC000075582006	508119872	/nfs/dbraw/zinc/11/98/72/508119872.db2.gz	RIHZDUNRALNDBK-UHFFFAOYSA-N	-1	2	355.391	2.585	50	0		FFAALM
O=c1cc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)nc2[nH]cnn21	ZINC000102815469	508285955	/nfs/dbraw/zinc/28/59/55/508285955.db2.gz	FTJCVQCCLYFIMM-ZDUSSCGKSA-N	-1	2	373.407	2.541	50	0		FFAALM
CC(C)Cn1ncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C1CC1	ZINC000577318155	519019934	/nfs/dbraw/zinc/01/99/34/519019934.db2.gz	ZYYRKSAEKALLOC-UHFFFAOYSA-N	-1	2	369.468	2.977	50	0		FFAALM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1	ZINC000078710524	507899602	/nfs/dbraw/zinc/89/96/02/507899602.db2.gz	AQADTOBVFKWWEJ-UHFFFAOYSA-N	-1	2	371.418	2.934	50	0		FFAALM
C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(C(=O)[O-])c1)c3O	ZINC000299738176	511667978	/nfs/dbraw/zinc/66/79/78/511667978.db2.gz	GODNKAKYPOIWMZ-JTQLQIEISA-N	-1	2	364.357	2.775	50	0		FFAALM
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1	ZINC000013278613	206301785	/nfs/dbraw/zinc/30/17/85/206301785.db2.gz	YJZOBBAJTOENCC-HWKANZROSA-N	-1	2	369.345	2.872	50	0		FFAALM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1	ZINC000075081561	508081171	/nfs/dbraw/zinc/08/11/71/508081171.db2.gz	XWMJZYTZOMNDCX-UHFFFAOYSA-N	-1	2	361.354	2.510	50	0		FFAALM
CCCCN(C)c1ncc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000035397256	506382554	/nfs/dbraw/zinc/38/25/54/506382554.db2.gz	WIWFHNBPBXYUDN-UHFFFAOYSA-N	-1	2	369.468	2.878	50	0		FFAALM
COc1cc(F)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1OC	ZINC000040088146	506465147	/nfs/dbraw/zinc/46/51/47/506465147.db2.gz	HOPGWZJNAFVBOS-UHFFFAOYSA-N	-1	2	369.370	2.650	50	0		FFAALM
Cc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c(C(=O)[O-])c1	ZINC000058366597	507409454	/nfs/dbraw/zinc/40/94/54/507409454.db2.gz	NQQCNCCXHNKFPY-UHFFFAOYSA-N	-1	2	371.418	2.739	50	0		FFAALM
C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(C(=O)[O-])c1)c3O	ZINC000299738177	511668790	/nfs/dbraw/zinc/66/87/90/511668790.db2.gz	GODNKAKYPOIWMZ-SNVBAGLBSA-N	-1	2	364.357	2.775	50	0		FFAALM
CC1(C)C[C@@H]([N-]C(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1	ZINC000000675789	506227658	/nfs/dbraw/zinc/22/76/58/506227658.db2.gz	YOWHANNOAAEALQ-PRHODGIISA-N	-1	2	362.314	2.928	50	0		FFAALM
Cc1ccc(-n2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cn2)cc1	ZINC000076018071	508151767	/nfs/dbraw/zinc/15/17/67/508151767.db2.gz	HWNSKFSPMMCTRM-UHFFFAOYSA-N	-1	2	357.391	2.680	50	0		FFAALM
Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000048382986	209332445	/nfs/dbraw/zinc/33/24/45/209332445.db2.gz	NADOSODOFGJQMH-UHFFFAOYSA-N	-1	2	351.428	2.888	50	0		FFAALM
CC(C)CCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1	ZINC000489553798	514892402	/nfs/dbraw/zinc/89/24/02/514892402.db2.gz	RSRGYZWKOMRUFK-UHFFFAOYSA-N	-1	2	355.391	2.567	50	0		FFAALM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1	ZINC000097000613	209167055	/nfs/dbraw/zinc/16/70/55/209167055.db2.gz	GJVLMCNTWDVZOH-UHFFFAOYSA-N	-1	2	371.418	2.739	50	0		FFAALM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000076082344	508156819	/nfs/dbraw/zinc/15/68/19/508156819.db2.gz	NCRHJHMRYQRWMV-UHFFFAOYSA-N	-1	2	351.428	2.888	50	0		FFAALM
CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000095361105	209880076	/nfs/dbraw/zinc/88/00/76/209880076.db2.gz	KIBBJSXYKVIPDU-UHFFFAOYSA-N	-1	2	369.420	2.814	50	0		FFAALM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc2cccnc21	ZINC000078900076	507915648	/nfs/dbraw/zinc/91/56/48/507915648.db2.gz	PHKPLPXRIMRFGV-UHFFFAOYSA-N	-1	2	358.375	2.742	50	0		FFAALM
Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000078789963	507907353	/nfs/dbraw/zinc/90/73/53/507907353.db2.gz	UMCFBSDDMNPIBR-UHFFFAOYSA-N	-1	2	371.418	2.988	50	0		FFAALM
Cc1nn(CC(=O)[O-])c(C)c1NS(=O)(=O)c1cccc2ccccc21	ZINC000055384645	506739437	/nfs/dbraw/zinc/73/94/37/506739437.db2.gz	WETKMNOAPSUERE-UHFFFAOYSA-N	-1	2	359.407	2.539	50	0		FFAALM
C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(C(=O)[O-])cc1)c3O	ZINC000299738126	210223992	/nfs/dbraw/zinc/22/39/92/210223992.db2.gz	ACVGAHCBQGAXSM-SNVBAGLBSA-N	-1	2	364.357	2.775	50	0		FFAALM
COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000013358877	220066186	/nfs/dbraw/zinc/06/61/86/220066186.db2.gz	NAVQEXXIVUUWRO-UHFFFAOYSA-N	-1	2	351.380	2.511	50	0		FFAALM
O=C([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000008990891	506675458	/nfs/dbraw/zinc/67/54/58/506675458.db2.gz	CFSRMUFHIBSPNJ-UHFFFAOYSA-N	-1	2	352.368	2.934	50	0		FFAALM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC	ZINC000013358900	220066240	/nfs/dbraw/zinc/06/62/40/220066240.db2.gz	VCGYTJBLRZCDKS-UHFFFAOYSA-N	-1	2	353.421	2.916	50	0		FFAALM
Nc1nc(O)c(CCC[C@H](C(=O)[O-])c2cccc3ccccc32)c(=O)[nH]1	ZINC000039438678	506450214	/nfs/dbraw/zinc/45/02/14/506450214.db2.gz	OAAWMZINEDCHGN-AWEZNQCLSA-N	-1	2	353.378	2.814	50	0		FFAALM
COc1cc2[n-]c(O)c(C(=O)Nc3ccccc3C)c(=O)c2cc1OC	ZINC000018089172	211190503	/nfs/dbraw/zinc/19/05/03/211190503.db2.gz	ODMORWXNRSTBHM-UHFFFAOYSA-N	-1	2	354.362	2.812	50	0		FFAALM
CC[C@H](Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1)C(=O)[O-]	ZINC000184902506	510573644	/nfs/dbraw/zinc/57/36/44/510573644.db2.gz	QWQYPWCEDYVGJX-CYBMUJFWSA-N	-1	2	352.412	2.746	50	0		FFAALM
CC(C)Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C1CC1	ZINC000570357921	518565277	/nfs/dbraw/zinc/56/52/77/518565277.db2.gz	JZNMGWGFODVZMM-UHFFFAOYSA-N	-1	2	369.468	2.977	50	0		FFAALM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC	ZINC000057115916	507174637	/nfs/dbraw/zinc/17/46/37/507174637.db2.gz	JDIYTXGAARNYSK-UHFFFAOYSA-N	-1	2	367.448	2.845	50	0		FFAALM
O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccs2)c1	ZINC000032971155	506319719	/nfs/dbraw/zinc/31/97/19/506319719.db2.gz	KTXAJLDZKKXXHD-UHFFFAOYSA-N	-1	2	352.437	2.847	50	0		FFAALM
CCOc1ccccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000048332283	221007655	/nfs/dbraw/zinc/00/76/55/221007655.db2.gz	OCHZXIVSCFGCSS-UHFFFAOYSA-N	-1	2	365.407	2.522	50	0		FFAALM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc2cccnc21	ZINC000054294943	506532573	/nfs/dbraw/zinc/53/25/73/506532573.db2.gz	CCSZJYKPRGYLAC-UHFFFAOYSA-N	-1	2	372.402	2.671	50	0		FFAALM
COc1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1C(=O)[O-]	ZINC000095454509	508186690	/nfs/dbraw/zinc/18/66/90/508186690.db2.gz	JPAHQIDGQJRIJT-UHFFFAOYSA-N	-1	2	374.374	2.849	50	0		FFAALM
Cc1ccc2nc(NS(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)sc2c1	ZINC000034864608	263397631	/nfs/dbraw/zinc/39/76/31/263397631.db2.gz	PZXSZHMGGGYHSN-UHFFFAOYSA-N	-1	2	364.404	2.809	50	0		FFAALM
CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C	ZINC000076081944	508156701	/nfs/dbraw/zinc/15/67/01/508156701.db2.gz	JCHWVLQVFHWDLT-UHFFFAOYSA-N	-1	2	365.455	2.683	50	0		FFAALM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C	ZINC000170617158	509681178	/nfs/dbraw/zinc/68/11/78/509681178.db2.gz	SAUADGGNMIFSLN-UHFFFAOYSA-N	-1	2	358.803	2.806	50	0		FFAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c1	ZINC000071808762	221378524	/nfs/dbraw/zinc/37/85/24/221378524.db2.gz	CKVGWAKPUGOCCD-UHFFFAOYSA-N	-1	2	370.427	2.986	50	0		FFAALM
Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000126784879	509128429	/nfs/dbraw/zinc/12/84/29/509128429.db2.gz	BHCSWWKRMOTVLG-UHFFFAOYSA-N	-1	2	354.359	2.807	50	0		FFAALM
O=C([O-])CCc1nnc(SCc2c(Cl)cccc2Cl)[nH]c1=O	ZINC000006506787	506486327	/nfs/dbraw/zinc/48/63/27/506486327.db2.gz	GGTGFQYWYDXJIH-UHFFFAOYSA-N	-1	2	360.222	2.781	50	0		FFAALM
COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC	ZINC000045774816	206079933	/nfs/dbraw/zinc/07/99/33/206079933.db2.gz	ABJUVUCJGPAMHL-UHFFFAOYSA-N	-1	2	357.409	2.573	50	0		FFAALM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1	ZINC000097465115	508224433	/nfs/dbraw/zinc/22/44/33/508224433.db2.gz	JEWMFDOOZSLVMB-UHFFFAOYSA-N	-1	2	362.338	2.980	50	0		FFAALM
Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000170644092	509693195	/nfs/dbraw/zinc/69/31/95/509693195.db2.gz	UFZUOWUICPTAIW-UHFFFAOYSA-N	-1	2	365.455	2.683	50	0		FFAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1	ZINC000070039776	507605546	/nfs/dbraw/zinc/60/55/46/507605546.db2.gz	ZRMZRABIVIFNPQ-UHFFFAOYSA-N	-1	2	363.319	2.569	50	0		FFAALM
Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C(=O)[O-])c1	ZINC000058366496	205273112	/nfs/dbraw/zinc/27/31/12/205273112.db2.gz	MDWCNQAKANCWRN-UHFFFAOYSA-N	-1	2	357.391	2.680	50	0		FFAALM
CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-]	ZINC000032962245	204950361	/nfs/dbraw/zinc/95/03/61/204950361.db2.gz	MIEMPTUNJCMRHZ-UHFFFAOYSA-N	-1	2	360.844	2.967	50	0		FFAALM
O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3s2)ccc1O	ZINC000028248286	507716247	/nfs/dbraw/zinc/71/62/47/507716247.db2.gz	MRNKUFWEFDEJEV-UHFFFAOYSA-N	-1	2	350.377	2.501	50	0		FFAALM
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C	ZINC000012544793	220005809	/nfs/dbraw/zinc/00/58/09/220005809.db2.gz	IKBGJYQZTZNTMN-UHFFFAOYSA-N	-1	2	369.420	2.732	50	0		FFAALM
COc1cc2[n-]c(O)c(C(=O)N[C@H](C)c3ccccc3)c(=O)c2cc1OC	ZINC000017029092	206322252	/nfs/dbraw/zinc/32/22/52/206322252.db2.gz	YDSSPXRGUGAOQG-LLVKDONJSA-N	-1	2	368.389	2.742	50	0	biogenic	FFAALM
Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000075606925	508120997	/nfs/dbraw/zinc/12/09/97/508120997.db2.gz	XDGAUDDXAVWFBC-UHFFFAOYSA-N	-1	2	357.391	2.680	50	0		FFAALM
CCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O)OC(=O)CCCCC	ZINC000005820134	560203316	/nfs/dbraw/zinc/20/33/16/560203316.db2.gz	SFZZRGHNPILUOD-CYBMUJFWSA-N	-1	2	368.363	2.711	50	0	in-vitro	FFAALM
CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O)OC(=O)CCCCC	ZINC000005820134	560203317	/nfs/dbraw/zinc/20/33/17/560203317.db2.gz	SFZZRGHNPILUOD-CYBMUJFWSA-N	-1	2	368.363	2.711	50	0	in-vitro	FFAALM
COc1cc(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC	ZINC000045946128	206080809	/nfs/dbraw/zinc/08/08/09/206080809.db2.gz	WCKNIXVTABQWAK-UHFFFAOYSA-N	-1	2	371.436	2.881	50	0		FFAALM
CC(C)n1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1	ZINC000170644087	206278783	/nfs/dbraw/zinc/27/87/83/206278783.db2.gz	JNAKTXGBPZKOFX-UHFFFAOYSA-N	-1	2	351.428	2.627	50	0		FFAALM
COc1cc(OC)c(NS(=O)(=O)c2ccccc2Cl)c(C(=O)[O-])c1	ZINC000060362435	507531665	/nfs/dbraw/zinc/53/16/65/507531665.db2.gz	UYFIQFRHKHGACQ-UHFFFAOYSA-N	-1	2	371.798	2.856	50	0		FFAALM
O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)ccc1Cl	ZINC000028047620	507704693	/nfs/dbraw/zinc/70/46/93/507704693.db2.gz	PSKUNDUCFRNIDG-UHFFFAOYSA-N	-1	2	351.771	2.715	50	0		FFAALM
O=C([O-])c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1	ZINC000002974124	263327249	/nfs/dbraw/zinc/32/72/49/263327249.db2.gz	SZCICMHIUXYBRQ-UHFFFAOYSA-N	-1	2	356.359	2.534	50	0		FFAALM
CC1(C)C[C@@H]([N-]C(=O)C(F)(F)F)C[C@](C)(CNC(=O)C(F)(F)F)C1	ZINC000000675787	506228738	/nfs/dbraw/zinc/22/87/38/506228738.db2.gz	YOWHANNOAAEALQ-PELKAZGASA-N	-1	2	362.314	2.928	50	0		FFAALM
COc1cc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])cc1OC	ZINC000042122862	506600287	/nfs/dbraw/zinc/60/02/87/506600287.db2.gz	FOZVFBORLRXYGW-UHFFFAOYSA-N	-1	2	369.370	2.650	50	0		FFAALM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)noc1C1CC1	ZINC000126791525	509129214	/nfs/dbraw/zinc/12/92/14/509129214.db2.gz	WZCJZTDVSFQUMS-UHFFFAOYSA-N	-1	2	350.396	2.922	50	0		FFAALM
CC1(C)C[C@H]([N-]C(=O)C(F)(F)F)C[C@](C)(CNC(=O)C(F)(F)F)C1	ZINC000004647110	207033700	/nfs/dbraw/zinc/03/37/00/207033700.db2.gz	YOWHANNOAAEALQ-UFBFGSQYSA-N	-1	2	362.314	2.928	50	0		FFAALM
COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)[O-])cc3s2)cc1	ZINC000008992968	207253640	/nfs/dbraw/zinc/25/36/40/207253640.db2.gz	NAMGURZUPAOOGA-UHFFFAOYSA-N	-1	2	364.404	2.804	50	0		FFAALM
Nc1nc(O)c(CCC[C@@H](C(=O)[O-])c2cccc3ccccc32)c(=O)[nH]1	ZINC000039438677	208211791	/nfs/dbraw/zinc/21/17/91/208211791.db2.gz	OAAWMZINEDCHGN-CQSZACIVSA-N	-1	2	353.378	2.814	50	0		FFAALM
CCOc1cc2[nH]c(=S)n(CCCC(=O)[O-])c(=O)c2cc1OCC	ZINC000003010242	506307844	/nfs/dbraw/zinc/30/78/44/506307844.db2.gz	DXZBEZCWWPHNIN-UHFFFAOYSA-N	-1	2	352.412	2.721	50	0		FFAALM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F	ZINC000006510610	506485956	/nfs/dbraw/zinc/48/59/56/506485956.db2.gz	SHFVTKSZBGWUID-UHFFFAOYSA-N	-1	2	373.333	2.796	50	0		FFAALM
O=C([O-])CCc1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]c1=O	ZINC000004317178	207011925	/nfs/dbraw/zinc/01/19/25/207011925.db2.gz	JGZHRVOJOHOIQD-UHFFFAOYSA-N	-1	2	360.222	2.781	50	0		FFAALM
CCOc1ccc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)cc1C(=O)[O-]	ZINC000421182235	513140088	/nfs/dbraw/zinc/14/00/88/513140088.db2.gz	KNGMGGKICZEDNE-UHFFFAOYSA-N	-1	2	367.427	2.670	50	0		FFAALM
COc1ccc(OC)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1	ZINC000045946105	209328461	/nfs/dbraw/zinc/32/84/61/209328461.db2.gz	AHMZFLDAGUBUJB-UHFFFAOYSA-N	-1	2	357.409	2.573	50	0		FFAALM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000075613104	508121437	/nfs/dbraw/zinc/12/14/37/508121437.db2.gz	CDLBCNAUPJUDOO-UHFFFAOYSA-N	-1	2	351.428	2.888	50	0		FFAALM
Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000075606923	208890467	/nfs/dbraw/zinc/89/04/67/208890467.db2.gz	CHQFXPFAZNCJJJ-UHFFFAOYSA-N	-1	2	357.391	2.680	50	0		FFAALM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1	ZINC000078814468	507910570	/nfs/dbraw/zinc/91/05/70/507910570.db2.gz	YAFPPCQNCIQDDP-UHFFFAOYSA-N	-1	2	373.381	2.771	50	0		FFAALM
CC[C@@H](Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1)C(=O)[O-]	ZINC000184902488	510572853	/nfs/dbraw/zinc/57/28/53/510572853.db2.gz	QWQYPWCEDYVGJX-ZDUSSCGKSA-N	-1	2	352.412	2.746	50	0		FFAALM
CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1	ZINC000032926317	506312420	/nfs/dbraw/zinc/31/24/20/506312420.db2.gz	UABSPJGNDQTACY-UHFFFAOYSA-N	-1	2	354.409	2.514	50	0		FFAALM
COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC	ZINC000013300541	506935459	/nfs/dbraw/zinc/93/54/59/506935459.db2.gz	KHLLIXHUYYLCAW-UHFFFAOYSA-N	-1	2	357.409	2.573	50	0		FFAALM
COc1cc2[n-]c(O)c(C(=O)N[C@@H](C)c3ccccc3)c(=O)c2cc1OC	ZINC000017029090	507113840	/nfs/dbraw/zinc/11/38/40/507113840.db2.gz	YDSSPXRGUGAOQG-NSHDSACASA-N	-1	2	368.389	2.742	50	0	biogenic	FFAALM
Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1C(=O)[O-]	ZINC000280956795	511667289	/nfs/dbraw/zinc/66/72/89/511667289.db2.gz	KDHYDDUEZJPECJ-UHFFFAOYSA-N	-1	2	357.819	2.925	50	0		FFAALM
COc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101360992	222272303	/nfs/dbraw/zinc/27/23/03/222272303.db2.gz	MXDJODZNQGUNRS-GOEBONIOSA-N	-1	2	374.755	2.780	50	0		FFAALM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2OCCO3)c1	ZINC000055685738	506825798	/nfs/dbraw/zinc/82/57/98/506825798.db2.gz	FBJBSCDEFHUQSL-UHFFFAOYSA-N	-1	2	369.782	2.610	50	0		FFAALM
Cc1ccc(-n2cc(S(=O)(=O)Nc3ccc(C)c(C(=O)[O-])c3)cn2)cc1	ZINC000078938824	507918275	/nfs/dbraw/zinc/91/82/75/507918275.db2.gz	KIAVARHZTXDHJR-UHFFFAOYSA-N	-1	2	371.418	2.988	50	0		FFAALM
Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C	ZINC000126836864	509135818	/nfs/dbraw/zinc/13/58/18/509135818.db2.gz	WFWMJTULOAQMEF-UHFFFAOYSA-N	-1	2	350.396	2.976	50	0		FFAALM
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)sc1C(=O)[O-]	ZINC000045774695	570912062	/nfs/dbraw/zinc/91/20/62/570912062.db2.gz	KFMIHYJYZMZESZ-UHFFFAOYSA-N	-1	2	369.420	2.717	50	0		FFAALM
COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000013340960	220064699	/nfs/dbraw/zinc/06/46/99/220064699.db2.gz	NRPMXHKYZGINLL-UHFFFAOYSA-N	-1	2	371.798	2.856	50	0		FFAALM
COC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000048332295	507502877	/nfs/dbraw/zinc/50/28/77/507502877.db2.gz	ZLQVEEPVRZHSMR-UHFFFAOYSA-N	-1	2	369.420	2.651	50	0		FFAALM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)nn1[C@@H](C)C1CC1	ZINC000541306795	516977820	/nfs/dbraw/zinc/97/78/20/516977820.db2.gz	FGYVITYCRUZXFX-JTQLQIEISA-N	-1	2	367.402	2.801	50	0		FFAALM
O=C([O-])CCc1nnc(SCc2ccc(Cl)cc2Cl)[nH]c1=O	ZINC000004317177	506372086	/nfs/dbraw/zinc/37/20/86/506372086.db2.gz	RTPQWVIIWSEWBV-UHFFFAOYSA-N	-1	2	360.222	2.781	50	0		FFAALM
Cc1ccc(-n2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3C)cn2)cc1	ZINC000078869849	507913250	/nfs/dbraw/zinc/91/32/50/507913250.db2.gz	ACFIAMAZYRWHBZ-UHFFFAOYSA-N	-1	2	371.418	2.988	50	0		FFAALM
Cc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1	ZINC000952984346	1011039442	/nfs/dbraw/zinc/03/94/42/1011039442.db2.gz	KMFHTADVIQKALJ-UHFFFAOYSA-N	-1	2	361.365	2.943	50	0		FFAALM
C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(C(=O)[O-])cc1)c3O	ZINC000299738125	210224486	/nfs/dbraw/zinc/22/44/86/210224486.db2.gz	ACVGAHCBQGAXSM-JTQLQIEISA-N	-1	2	364.357	2.775	50	0		FFAALM
COc1cc2[n-]c(O)c(C(=O)Nc3cccc(C)c3)c(=O)c2cc1OC	ZINC000016956816	211173693	/nfs/dbraw/zinc/17/36/93/211173693.db2.gz	ZTPQGBJIDPRLDP-UHFFFAOYSA-N	-1	2	354.362	2.812	50	0		FFAALM
Cc1ccc(-n2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3C)cn2)cc1	ZINC000078869840	507913741	/nfs/dbraw/zinc/91/37/41/507913741.db2.gz	BNJUUMXFHPIHRZ-UHFFFAOYSA-N	-1	2	371.418	2.988	50	0		FFAALM
CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C	ZINC000170640770	509691219	/nfs/dbraw/zinc/69/12/19/509691219.db2.gz	JQTQZJQPJPNLRC-UHFFFAOYSA-N	-1	2	363.439	2.508	50	0		FFAALM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OC	ZINC000048382920	221012414	/nfs/dbraw/zinc/01/24/14/221012414.db2.gz	ZZSWWAWCXLWKFI-UHFFFAOYSA-N	-1	2	351.380	2.511	50	0		FFAALM
COc1c(F)cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F	ZINC000055682241	221074058	/nfs/dbraw/zinc/07/40/58/221074058.db2.gz	PESTYQHXBGLGDA-UHFFFAOYSA-N	-1	2	363.363	2.842	50	0		FFAALM
CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000058377472	221117070	/nfs/dbraw/zinc/11/70/70/221117070.db2.gz	VHHDVANRQKEBNE-UHFFFAOYSA-N	-1	2	360.844	2.967	50	0		FFAALM
O=C1[C@@H]2ON=C(c3cccnc3)C2=C(O)N1c1cc(Cl)cc(Cl)c1	ZINC000101358864	222271888	/nfs/dbraw/zinc/27/18/88/222271888.db2.gz	SPMGQJALCBNZAT-GXTWGEPZSA-N	-1	2	362.172	2.681	50	0		FFAALM
Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000075572638	508118344	/nfs/dbraw/zinc/11/83/44/508118344.db2.gz	XFXJVHVWHBOUDD-UHFFFAOYSA-N	-1	2	355.391	2.719	50	0		FFAALM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)nn1[C@H](C)C1CC1	ZINC000541306796	516978690	/nfs/dbraw/zinc/97/86/90/516978690.db2.gz	FGYVITYCRUZXFX-SNVBAGLBSA-N	-1	2	367.402	2.801	50	0		FFAALM
COc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(OC)c1	ZINC000058357082	221115908	/nfs/dbraw/zinc/11/59/08/221115908.db2.gz	DDPGBNLSBWNQDV-UHFFFAOYSA-N	-1	2	357.409	2.573	50	0		FFAALM
CC1(C)C[C@H]([N-]C(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1	ZINC000000675792	506227886	/nfs/dbraw/zinc/22/78/86/506227886.db2.gz	YOWHANNOAAEALQ-QPUJVOFHSA-N	-1	2	362.314	2.928	50	0		FFAALM
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnn(C(C)C)c1	ZINC000268020800	509720814	/nfs/dbraw/zinc/72/08/14/509720814.db2.gz	YQUNETURGIKGND-UHFFFAOYSA-N	-1	2	357.819	2.925	50	0		FFAALM
CC(C)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(F)F)n1	ZINC000551677666	516816280	/nfs/dbraw/zinc/81/62/80/516816280.db2.gz	AJHOFPYRZOPFPD-UHFFFAOYSA-N	-1	2	373.381	2.976	50	0		FFAALM
COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC	ZINC000058370873	221116230	/nfs/dbraw/zinc/11/62/30/221116230.db2.gz	USVQYIQFRBOXSN-UHFFFAOYSA-N	-1	2	353.421	2.916	50	0		FFAALM
CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C	ZINC000076022380	508151416	/nfs/dbraw/zinc/15/14/16/508151416.db2.gz	BPDAYDYIPDUAEF-UHFFFAOYSA-N	-1	2	357.819	2.672	50	0		FFAALM
CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000013359001	220065854	/nfs/dbraw/zinc/06/58/54/220065854.db2.gz	REVWPIGJZQRRNE-UHFFFAOYSA-N	-1	2	351.380	2.593	50	0		FFAALM
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1	ZINC000096930709	222142989	/nfs/dbraw/zinc/14/29/89/222142989.db2.gz	YJZOBBAJTOENCC-HYXAFXHYSA-N	-1	2	369.345	2.872	50	0		FFAALM
O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(F)c3F)ccc12	ZINC000075610233	508121534	/nfs/dbraw/zinc/12/15/34/508121534.db2.gz	CBLLYDUNPZWSCH-UHFFFAOYSA-N	-1	2	352.318	2.945	50	0		FFAALM
O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c(F)c1	ZINC000076081919	508156718	/nfs/dbraw/zinc/15/67/18/508156718.db2.gz	KHFGRZDRGXUVDS-UHFFFAOYSA-N	-1	2	361.354	2.510	50	0		FFAALM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2cccnc21	ZINC000013030415	220055342	/nfs/dbraw/zinc/05/53/42/220055342.db2.gz	TYLRUTCPHVITDP-UHFFFAOYSA-N	-1	2	358.375	2.742	50	0		FFAALM