smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000223369307	201032458	/nfs/dbraw/zinc/03/24/58/201032458.db2.gz	DDNQPRRBUIIMFS-UHFFFAOYSA-N	-2	0	337.328	2.527	40	0		EFABRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005132712	201057192	/nfs/dbraw/zinc/05/71/92/201057192.db2.gz	JTYGUBCFWHIYST-UHFFFAOYSA-N	-2	0	335.381	2.513	40	0		EFABRL
O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1	ZINC000349088038	146050926	/nfs/dbraw/zinc/05/09/26/146050926.db2.gz	WXTOCSGOQJXUQC-UHFFFAOYSA-N	-2	0	325.411	2.956	40	0		EFABRL
COc1ccc([C@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000001668813	471395234	/nfs/dbraw/zinc/39/52/34/471395234.db2.gz	ZZXIRJHRLVVVDF-IYBDPMFKSA-N	-2	0	330.336	2.740	40	0		EFABRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1C	ZINC000025463909	472098290	/nfs/dbraw/zinc/09/82/90/472098290.db2.gz	YICSNTOIFSKBAX-UHFFFAOYSA-N	-2	0	345.380	2.679	40	0		EFABRL
CC(=C\C(=O)[O-])/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@@H](CO)C(=O)[O-]	ZINC000031160679	472366696	/nfs/dbraw/zinc/36/66/96/472366696.db2.gz	QFZISQBFEIXWDM-KXCGKLMDSA-N	-2	0	342.432	2.604	40	0	biogenic,in-vitro	EFABRL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccco1	ZINC000390833282	476802866	/nfs/dbraw/zinc/80/28/66/476802866.db2.gz	FOAKDFRWWGWWPG-UHFFFAOYSA-N	-2	0	325.342	2.567	40	0		EFABRL
O=C([O-])c1cc(OCC(=O)Nc2ccc(Cl)cc2)cc(C(=O)[O-])c1	ZINC000217727002	241273519	/nfs/dbraw/zinc/27/35/19/241273519.db2.gz	WYWZBSMIANIBSU-UHFFFAOYSA-N	-2	0	349.726	2.754	40	0		EFABRL
COc1ccc(Cn2c(=O)c3ccc(C(=O)[O-])cc3[n-]c2=S)cc1	ZINC000000269672	471342506	/nfs/dbraw/zinc/34/25/06/471342506.db2.gz	MZKAVTDRAOVZKS-UHFFFAOYSA-N	-2	0	342.376	2.814	40	0		EFABRL
O=C([O-])CC[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000005947279	471527261	/nfs/dbraw/zinc/52/72/61/471527261.db2.gz	LLZILACBVFXZJD-HNNXBMFYSA-N	-2	0	342.351	2.852	40	0		EFABRL
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000007708567	471631735	/nfs/dbraw/zinc/63/17/35/471631735.db2.gz	RMIIERQABTUCIC-UHFFFAOYSA-N	-2	0	335.381	2.893	40	0		EFABRL
COc1ccccc1Cn1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1=S	ZINC000000424921	471358189	/nfs/dbraw/zinc/35/81/89/471358189.db2.gz	YVYJDQRUKAVGCN-UHFFFAOYSA-N	-2	0	342.376	2.814	40	0		EFABRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000006269916	471538487	/nfs/dbraw/zinc/53/84/87/471538487.db2.gz	IEQVLRVPKPMRBI-UHFFFAOYSA-N	-2	0	341.772	2.848	40	0		EFABRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000096697664	472394220	/nfs/dbraw/zinc/39/42/20/472394220.db2.gz	AYQDWDYOAKMJML-UHFFFAOYSA-N	-2	0	347.801	2.909	40	0		EFABRL
CC(=C\C(=O)[O-])/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@H](CO)C(=O)[O-]	ZINC000253390530	474732430	/nfs/dbraw/zinc/73/24/30/474732430.db2.gz	QFZISQBFEIXWDM-WKSNGHSCSA-N	-2	0	342.432	2.604	40	0	biogenic,in-vitro	EFABRL
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1	ZINC000322335081	474938232	/nfs/dbraw/zinc/93/82/32/474938232.db2.gz	PYMWNZVOEPKZBH-UHFFFAOYSA-N	-2	0	349.393	2.841	40	0		EFABRL
COc1ccsc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1	ZINC000390834557	476805898	/nfs/dbraw/zinc/80/58/98/476805898.db2.gz	CXHVRQWNLVDZOC-UHFFFAOYSA-N	-2	0	327.383	2.564	40	0		EFABRL
CC(=C\C(=O)[O-])/C=C(\C)C[C@H](C)CCCC[C@H](O)[C@H](CO)C(=O)[O-]	ZINC000253390523	519348385	/nfs/dbraw/zinc/34/83/85/519348385.db2.gz	QFZISQBFEIXWDM-UEKBGLNWSA-N	-2	0	342.432	2.604	40	0	biogenic,in-vitro	EFABRL
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230506	210771460	/nfs/dbraw/zinc/77/14/60/210771460.db2.gz	YNHLUWNLRTUSDQ-UHFFFAOYSA-N	-2	0	339.344	2.723	40	0		EFABRL
O=C([O-])CC[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000005947281	471527215	/nfs/dbraw/zinc/52/72/15/471527215.db2.gz	LLZILACBVFXZJD-OAHLLOKOSA-N	-2	0	342.351	2.852	40	0		EFABRL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)sn1	ZINC000634789326	480524372	/nfs/dbraw/zinc/52/43/72/480524372.db2.gz	IUNFYSPDAFBOQE-UHFFFAOYSA-N	-2	0	340.426	2.615	40	0		EFABRL
O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc3c2CCCC3)c1	ZINC000748642620	601986627	/nfs/dbraw/zinc/98/66/27/601986627.db2.gz	HWNUWHWJRUCBAE-UHFFFAOYSA-N	-2	0	345.420	2.993	40	0		EFABRL
Cc1[n-]n2c(nc(C)c(CCC(=O)[O-])c2=O)c1-c1ccc(Cl)cc1	ZINC000020153776	212107655	/nfs/dbraw/zinc/10/76/55/212107655.db2.gz	YBZNOEUWZSWTOX-UHFFFAOYSA-N	-2	0	345.786	2.977	40	0		EFABRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1	ZINC000430976064	247859350	/nfs/dbraw/zinc/85/93/50/247859350.db2.gz	QNJSPLWEGATHGT-UHFFFAOYSA-N	-2	0	328.349	2.734	40	0		EFABRL
Cc1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)sc1C(=O)[O-]	ZINC000020156596	463025774	/nfs/dbraw/zinc/02/57/74/463025774.db2.gz	AARYVEJNBHXYIY-UHFFFAOYSA-N	-2	0	340.426	2.876	40	0		EFABRL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000006623238	471554435	/nfs/dbraw/zinc/55/44/35/471554435.db2.gz	QUDIMLJAKJFKGD-UHFFFAOYSA-N	-2	0	339.344	2.642	40	0		EFABRL
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000007057447	471589215	/nfs/dbraw/zinc/58/92/15/471589215.db2.gz	VRCYUMXMAOHYME-UHFFFAOYSA-N	-2	0	339.344	2.723	40	0		EFABRL
CC(C)(C)[C@@H](C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000059526939	472627597	/nfs/dbraw/zinc/62/75/97/472627597.db2.gz	JZWXPMBRAHOEOS-QWHCGFSZSA-N	-2	0	337.372	2.503	40	0		EFABRL
Cc1cc(C)cc(NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000217726403	241270145	/nfs/dbraw/zinc/27/01/45/241270145.db2.gz	KZKDHIFWTJQOGR-UHFFFAOYSA-N	-2	0	343.335	2.717	40	0		EFABRL
COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1	ZINC000356115707	147151018	/nfs/dbraw/zinc/15/10/18/147151018.db2.gz	VPEQWQHDHQBQMM-UHFFFAOYSA-N	-2	0	341.772	2.848	40	0		EFABRL
S=C1[N-]CC[N-]C(=S)SCN(c2ccccc2)CS1	ZINC000001653114	304849123	/nfs/dbraw/zinc/84/91/23/304849123.db2.gz	GLGWLNNQXBEYOY-UHFFFAOYSA-N	-2	0	329.541	2.637	40	0		EFABRL
CC(C)(C)[C@@H](C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000059526937	472627359	/nfs/dbraw/zinc/62/73/59/472627359.db2.gz	JZWXPMBRAHOEOS-STQMWFEESA-N	-2	0	337.372	2.503	40	0		EFABRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1	ZINC000352639511	475481860	/nfs/dbraw/zinc/48/18/60/475481860.db2.gz	HNVHYXQFCINNCL-UHFFFAOYSA-N	-2	0	344.348	2.841	40	0		EFABRL
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1	ZINC000340740232	476244995	/nfs/dbraw/zinc/24/49/95/476244995.db2.gz	NQCKXVOUOLCXPN-UHFFFAOYSA-N	-2	0	343.763	2.907	40	0		EFABRL
C=Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cc1	ZINC000436474167	477486402	/nfs/dbraw/zinc/48/64/02/477486402.db2.gz	BLTIOXDFLZSZJV-UHFFFAOYSA-N	-2	0	333.365	2.837	40	0		EFABRL
O=C([O-])c1cc(NC(=S)NCc2ccccc2)cc(C(=O)[O-])c1	ZINC000216930624	241224757	/nfs/dbraw/zinc/22/47/57/241224757.db2.gz	FNUYTIMLFDBISM-UHFFFAOYSA-N	-2	0	330.365	2.570	40	0		EFABRL
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005134952	210397321	/nfs/dbraw/zinc/39/73/21/210397321.db2.gz	DPQBNVKQEWFICI-UHFFFAOYSA-N	-2	0	349.408	2.903	40	0		EFABRL
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000013349109	471827295	/nfs/dbraw/zinc/82/72/95/471827295.db2.gz	WJIGDXRRXMJPCA-UHFFFAOYSA-N	-2	0	335.381	2.893	40	0		EFABRL
CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000013359471	471827972	/nfs/dbraw/zinc/82/79/72/471827972.db2.gz	AIXQYGDPFLXECR-UHFFFAOYSA-N	-2	0	335.381	2.757	40	0		EFABRL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1	ZINC000015243834	471893339	/nfs/dbraw/zinc/89/33/39/471893339.db2.gz	RKYODWRMEAOSLG-UHFFFAOYSA-N	-2	0	349.336	2.849	40	0		EFABRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccs1	ZINC000362195586	476063739	/nfs/dbraw/zinc/06/37/39/476063739.db2.gz	NCTPDMUGVKSEEC-UHFFFAOYSA-N	-2	0	341.410	2.575	40	0		EFABRL
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1	ZINC000080941206	544492619	/nfs/dbraw/zinc/49/26/19/544492619.db2.gz	PLJMLSANHDOTIH-UHFFFAOYSA-N	-2	0	337.401	2.595	40	0		EFABRL
O=C([O-])CCc1nc2cc3sc(CCC(=O)[O-])nc3cc2s1	ZINC000006828567	471573476	/nfs/dbraw/zinc/57/34/76/471573476.db2.gz	GORLMJGIBIYJCT-UHFFFAOYSA-N	-2	0	336.394	2.940	40	0		EFABRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)ccc1F	ZINC000007709471	471631886	/nfs/dbraw/zinc/63/18/86/471631886.db2.gz	AINRYFGXQYLWNO-UHFFFAOYSA-N	-2	0	346.339	2.873	40	0		EFABRL
O=c1c2c([n-]n1-c1ccccc1)Cc1c([O-])n(-c3ccccc3)nc1C2	ZINC000018192681	471972348	/nfs/dbraw/zinc/97/23/48/471972348.db2.gz	YZKMDGYNTLAXOZ-HOTGVXAUSA-N	-2	0	344.374	2.818	40	0		EFABRL
CC(=C\C(=O)[O-])/C=C(\C)C[C@@H](C)CCCC[C@H](O)[C@@H](CO)C(=O)[O-]	ZINC000031160683	472366246	/nfs/dbraw/zinc/36/62/46/472366246.db2.gz	QFZISQBFEIXWDM-KHOYFTFDSA-N	-2	0	342.432	2.604	40	0	biogenic,in-vitro	EFABRL
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1	ZINC000361974022	475908076	/nfs/dbraw/zinc/90/80/76/475908076.db2.gz	ZXAVAZCKQBLZHS-UHFFFAOYSA-N	-2	0	348.405	2.724	40	0		EFABRL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)sc1Cl	ZINC000231806711	525421896	/nfs/dbraw/zinc/42/18/96/525421896.db2.gz	OQFVSVHBMLWUEN-UHFFFAOYSA-N	-2	0	347.801	2.915	40	0		EFABRL
O=C([O-])C[C@H]1C[C@H]2[C@H]3C[C@@H](CC(=O)[O-])[C@H]4[C@@H]3C3C5[C@H](C=C[C@H]54)[C@@H]1[C@H]32	ZINC000104291340	238861518	/nfs/dbraw/zinc/86/15/18/238861518.db2.gz	CSFXZVCEJJRBRM-FRLCIPPFSA-N	-2	0	328.408	2.748	40	0		EFABRL
Cc1ccc(NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C	ZINC000217726290	241270122	/nfs/dbraw/zinc/27/01/22/241270122.db2.gz	OCLZZCVYMGPPTL-UHFFFAOYSA-N	-2	0	343.335	2.717	40	0		EFABRL
COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1	ZINC000349994223	142388479	/nfs/dbraw/zinc/38/84/79/142388479.db2.gz	YRXXZKHKJGJQCM-UHFFFAOYSA-N	-2	0	347.801	2.909	40	0		EFABRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000013359058	295099451	/nfs/dbraw/zinc/09/94/51/295099451.db2.gz	QSRBJOBOYQIZMP-UHFFFAOYSA-N	-2	0	335.381	2.811	40	0		EFABRL
COc1ccc(C[C@@H](C(=O)[O-])c2ccccc2C(=O)[O-])cc1OC	ZINC000001702052	471395878	/nfs/dbraw/zinc/39/58/78/471395878.db2.gz	WQDYGCRYWXDFCT-CQSZACIVSA-N	-2	0	330.336	2.813	40	0		EFABRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1	ZINC000007409150	471612891	/nfs/dbraw/zinc/61/28/91/471612891.db2.gz	CTGDCZHNXYOJOF-UHFFFAOYSA-N	-2	0	343.307	2.787	40	0		EFABRL
CC(C)(C)[C@@](CCC(=O)[O-])(NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000059526955	472627113	/nfs/dbraw/zinc/62/71/13/472627113.db2.gz	RJRNWUBXUMXRDN-KRWDZBQOSA-N	-2	0	337.372	2.647	40	0		EFABRL
CCCc1nc(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000213382387	474134238	/nfs/dbraw/zinc/13/42/38/474134238.db2.gz	CJMJKHRIPQVQAC-FLIBITNWSA-N	-2	0	333.369	2.673	40	0		EFABRL
CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000390833852	476804886	/nfs/dbraw/zinc/80/48/86/476804886.db2.gz	NYSJNCBYVQXBSC-UHFFFAOYSA-N	-2	0	343.357	2.589	40	0		EFABRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000020565707	212148078	/nfs/dbraw/zinc/14/80/78/212148078.db2.gz	GXPRWANWIZELSR-UHFFFAOYSA-N	-2	0	329.736	2.978	40	0		EFABRL
CCCCSCCSCCS[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000005615243	210501420	/nfs/dbraw/zinc/50/14/20/210501420.db2.gz	JXJMVUPNAXJGBC-JTQLQIEISA-N	-2	0	326.505	2.914	40	0		EFABRL
CCOC(=O)c1[nH]c2c(c1CCC(=O)[O-])c(C(=O)[O-])ccc2Cl	ZINC000022001132	285959360	/nfs/dbraw/zinc/95/93/60/285959360.db2.gz	YLGRIBHEIBXYCP-UHFFFAOYSA-N	-2	0	339.731	2.713	40	0		EFABRL
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000078733972	302731232	/nfs/dbraw/zinc/73/12/32/302731232.db2.gz	GXQOTQPNYADMGG-UHFFFAOYSA-N	-2	0	337.401	2.580	40	0		EFABRL
O=P([O-])([O-])/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1	ZINC000006598298	471552427	/nfs/dbraw/zinc/55/24/27/471552427.db2.gz	JJDCUYZQWSZZDT-JQIJEIRASA-N	-2	0	333.309	2.594	40	0		EFABRL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1	ZINC000034797427	471991456	/nfs/dbraw/zinc/99/14/56/471991456.db2.gz	PEMNKKNCLUVZOA-UHFFFAOYSA-N	-2	0	343.307	2.787	40	0		EFABRL
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000409143693	476979298	/nfs/dbraw/zinc/97/92/98/476979298.db2.gz	DJHKQEAGVYDELA-KRXBUXKQSA-N	-2	0	348.163	2.820	40	0		EFABRL
O=C([O-])C[C@@H](SCC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000016384879	211900178	/nfs/dbraw/zinc/90/01/78/211900178.db2.gz	FKSXERFZFJWCIS-SNVBAGLBSA-N	-2	0	337.180	2.837	40	0		EFABRL
COc1ccc(C[C@H](C(=O)[O-])c2ccccc2C(=O)[O-])cc1OC	ZINC000005640344	210508814	/nfs/dbraw/zinc/50/88/14/210508814.db2.gz	WQDYGCRYWXDFCT-AWEZNQCLSA-N	-2	0	330.336	2.813	40	0		EFABRL
O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2)c1	ZINC000390834670	323780201	/nfs/dbraw/zinc/78/02/01/323780201.db2.gz	MRZUOEQOXTUGOR-UHFFFAOYSA-N	-2	0	339.394	2.596	40	0		EFABRL
CCCCSCCSCCS[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000005615244	471514003	/nfs/dbraw/zinc/51/40/03/471514003.db2.gz	JXJMVUPNAXJGBC-SNVBAGLBSA-N	-2	0	326.505	2.914	40	0		EFABRL
O=C(NCCc1cccc([S-])c1)C(=O)Nc1cccc([S-])c1	ZINC000006241257	471537173	/nfs/dbraw/zinc/53/71/73/471537173.db2.gz	CEKKHBQUQOKYFW-UHFFFAOYSA-N	-2	0	332.450	2.561	40	0		EFABRL
COc1ccc([C@@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000017299730	471959953	/nfs/dbraw/zinc/95/99/53/471959953.db2.gz	ZZXIRJHRLVVVDF-HZPDHXFCSA-N	-2	0	330.336	2.740	40	0		EFABRL
CC(=C\C(=O)[O-])/C=C(\C)C[C@@H](C)CCCC[C@@H](O)[C@@H](CO)C(=O)[O-]	ZINC000031160675	472366636	/nfs/dbraw/zinc/36/66/36/472366636.db2.gz	QFZISQBFEIXWDM-YBYLGKQOSA-N	-2	0	342.432	2.604	40	0	biogenic,in-vitro	EFABRL
CC(C)(C)[C@H](C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000059526938	472626976	/nfs/dbraw/zinc/62/69/76/472626976.db2.gz	JZWXPMBRAHOEOS-OLZOCXBDSA-N	-2	0	337.372	2.503	40	0		EFABRL
O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000390835329	476806648	/nfs/dbraw/zinc/80/66/48/476806648.db2.gz	LANVQOSOGGKZAV-UHFFFAOYSA-N	-2	0	339.394	2.596	40	0		EFABRL
CCC(CC)(C(=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1	ZINC000653279958	481200334	/nfs/dbraw/zinc/20/03/34/481200334.db2.gz	OZIFYZYKNVUNJZ-UHFFFAOYSA-N	-2	0	347.411	2.982	40	0		EFABRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1	ZINC000007053779	471588352	/nfs/dbraw/zinc/58/83/52/471588352.db2.gz	HXDVXJHLAZEJOS-UHFFFAOYSA-N	-2	0	331.271	2.603	40	0		EFABRL
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000028497904	472227692	/nfs/dbraw/zinc/22/76/92/472227692.db2.gz	GWDZVOYIGPOTFI-UHFFFAOYSA-N	-2	0	341.772	2.848	40	0		EFABRL
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409132884	476978192	/nfs/dbraw/zinc/97/81/92/476978192.db2.gz	RVSMDUFJOJTFNQ-FPYGCLRLSA-N	-2	0	348.163	2.820	40	0		EFABRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)ccc1Cl	ZINC000226856259	205157871	/nfs/dbraw/zinc/15/78/71/205157871.db2.gz	BSMOALBCKUGSFD-UHFFFAOYSA-N	-2	0	327.745	2.545	40	0		EFABRL
O=C([O-])C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)[O-]	ZINC000001746528	205598161	/nfs/dbraw/zinc/59/81/61/205598161.db2.gz	NXKXGXMBRHASBB-SECBINFHSA-N	-2	0	338.410	2.590	40	0		EFABRL
O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccoc2)c1	ZINC000349078375	146047900	/nfs/dbraw/zinc/04/79/00/146047900.db2.gz	DUIUGAGCLTXEDN-UHFFFAOYSA-N	-2	0	346.158	2.541	40	0		EFABRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(O)c1	ZINC000530771007	317177889	/nfs/dbraw/zinc/17/78/89/317177889.db2.gz	OEBMXVNHZSJUNW-UHFFFAOYSA-N	-2	0	333.321	2.637	40	0		EFABRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1	ZINC000007053786	471588240	/nfs/dbraw/zinc/58/82/40/471588240.db2.gz	HSBYCUKMONRHGE-UHFFFAOYSA-N	-2	0	329.736	2.978	40	0		EFABRL
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230497	471599445	/nfs/dbraw/zinc/59/94/45/471599445.db2.gz	PFVJYFWHMOQSFU-UHFFFAOYSA-N	-2	0	339.344	2.642	40	0		EFABRL
CCOc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1C(=O)[O-]	ZINC000000385935	209564115	/nfs/dbraw/zinc/56/41/15/209564115.db2.gz	WYSVNQBIIZPVBS-UHFFFAOYSA-N	-2	0	329.308	2.734	40	0		EFABRL
O=C([O-])c1cc(OCC(=O)Nc2ccccc2Cl)cc(C(=O)[O-])c1	ZINC000217726779	241272733	/nfs/dbraw/zinc/27/27/33/241272733.db2.gz	RANDJRZKNZFUSV-UHFFFAOYSA-N	-2	0	349.726	2.754	40	0		EFABRL
O=C([O-])C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)[O-]	ZINC000001746526	471397990	/nfs/dbraw/zinc/39/79/90/471397990.db2.gz	NXKXGXMBRHASBB-VIFPVBQESA-N	-2	0	338.410	2.590	40	0		EFABRL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000013264852	471824065	/nfs/dbraw/zinc/82/40/65/471824065.db2.gz	XCLCVTCCGWFVPO-UHFFFAOYSA-N	-2	0	329.736	2.978	40	0		EFABRL
COc1ccc([C@H](C(=O)[O-])[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000017299725	471959804	/nfs/dbraw/zinc/95/98/04/471959804.db2.gz	ZZXIRJHRLVVVDF-HOTGVXAUSA-N	-2	0	330.336	2.740	40	0		EFABRL
COc1ccc(-c2c(=O)c3ccc([O-])cc3oc2C(=O)[O-])cc1OC	ZINC000033849291	471986450	/nfs/dbraw/zinc/98/64/50/471986450.db2.gz	DLKXBQGTFKSEJO-UHFFFAOYSA-N	-2	0	342.303	2.881	40	0		EFABRL
CC(C)(C)[C@H](C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000059526940	472626640	/nfs/dbraw/zinc/62/66/40/472626640.db2.gz	JZWXPMBRAHOEOS-CHWSQXEVSA-N	-2	0	337.372	2.503	40	0		EFABRL
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1	ZINC000000000103	1024376097	/nfs/dbraw/zinc/37/60/97/1024376097.db2.gz	LODGIKWNLDQZBM-LBPRGKRZSA-N	-2	0	325.364	2.882	40	0	in-vivo	EFABRL
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000033047686	212892164	/nfs/dbraw/zinc/89/21/64/212892164.db2.gz	GGDFRLVYGCXDBQ-UHFFFAOYSA-N	-2	0	349.261	2.742	40	0		EFABRL
O=C([O-])c1cc(OCC(=O)Nc2cccc(Cl)c2)cc(C(=O)[O-])c1	ZINC000217726898	241272624	/nfs/dbraw/zinc/27/26/24/241272624.db2.gz	YTPKUYYCOWLUSP-UHFFFAOYSA-N	-2	0	349.726	2.754	40	0		EFABRL
O=C([O-])c1ccccc1C(=O)CCC(=O)c1ccccc1C(=O)[O-]	ZINC000001604722	304267158	/nfs/dbraw/zinc/26/71/58/304267158.db2.gz	GUZPXZLBTCYMGJ-UHFFFAOYSA-N	-2	0	326.304	2.929	40	0		EFABRL
O=C([O-])c1oc2cc([O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2	ZINC000020113533	304285667	/nfs/dbraw/zinc/28/56/67/304285667.db2.gz	LVCGYXMMGGVONW-UHFFFAOYSA-N	-2	0	340.287	2.635	40	0	biogenic	EFABRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1	ZINC000349030083	146039448	/nfs/dbraw/zinc/03/94/48/146039448.db2.gz	DKAKCJCMYFIRRZ-UHFFFAOYSA-N	-2	0	341.410	2.575	40	0		EFABRL
O=c1c2c([n-]n1-c1ccccc1)Cc1c([O-])n(-c3ccccc3)nc1C2	ZINC000100987691	304700130	/nfs/dbraw/zinc/70/01/30/304700130.db2.gz	YZKMDGYNTLAXOZ-HZPDHXFCSA-N	-2	0	344.374	2.818	40	0		EFABRL
Cc1noc(C)c1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000299145589	311056143	/nfs/dbraw/zinc/05/61/43/311056143.db2.gz	KNLFZRHNMPJCNO-UHFFFAOYSA-N	-2	0	338.385	2.914	40	0		EFABRL
O=C([O-])C[C@H](SCC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000016384881	471936234	/nfs/dbraw/zinc/93/62/34/471936234.db2.gz	FKSXERFZFJWCIS-JTQLQIEISA-N	-2	0	337.180	2.837	40	0		EFABRL
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000032718982	472457958	/nfs/dbraw/zinc/45/79/58/472457958.db2.gz	UUKBUKWYJPWZEO-UHFFFAOYSA-N	-2	0	331.271	2.603	40	0		EFABRL
Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)sc1C	ZINC000357898320	475243197	/nfs/dbraw/zinc/24/31/97/475243197.db2.gz	RNXPGDXLDUKJPL-UHFFFAOYSA-N	-2	0	325.411	2.793	40	0		EFABRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccco2)cc(C(F)(F)F)c1	ZINC000358852350	475989054	/nfs/dbraw/zinc/98/90/54/475989054.db2.gz	GRFAKFNLDJZGDC-UHFFFAOYSA-N	-2	0	335.259	2.797	40	0		EFABRL
COC(=O)c1c(CCc2ccccc2)cccc1OP(=O)([O-])[O-]	ZINC000035973589	213053139	/nfs/dbraw/zinc/05/31/39/213053139.db2.gz	NENFLOJIKJGGLN-UHFFFAOYSA-N	-2	0	336.280	2.730	40	0		EFABRL
CC(=C\C(=O)[O-])/C=C(\C)C[C@H](C)CCCC[C@H](O)[C@@H](CO)C(=O)[O-]	ZINC000031160686	212725220	/nfs/dbraw/zinc/72/52/20/212725220.db2.gz	QFZISQBFEIXWDM-NYFCRXDISA-N	-2	0	342.432	2.604	40	0	biogenic,in-vitro	EFABRL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005134922	210396767	/nfs/dbraw/zinc/39/67/67/210396767.db2.gz	KJDGTCRBDJTUNZ-UHFFFAOYSA-N	-2	0	349.408	2.822	40	0		EFABRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1	ZINC000007709487	471631744	/nfs/dbraw/zinc/63/17/44/471631744.db2.gz	CKBCFACGYWXIAH-UHFFFAOYSA-N	-2	0	328.349	2.734	40	0		EFABRL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3cccnc32)c1	ZINC000007709442	471632772	/nfs/dbraw/zinc/63/27/72/471632772.db2.gz	NINSEECXWHMKMA-UHFFFAOYSA-N	-2	0	328.349	2.734	40	0		EFABRL
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1	ZINC000084920823	472226343	/nfs/dbraw/zinc/22/63/43/472226343.db2.gz	XKDMGIFDADBWHV-UHFFFAOYSA-N	-2	0	331.349	2.861	40	0		EFABRL
O=C([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000170549354	473556138	/nfs/dbraw/zinc/55/61/38/473556138.db2.gz	RJJVMGLGEWZZFC-UHFFFAOYSA-N	-2	0	327.745	2.545	40	0		EFABRL