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)cc(C(=O)[O-])c1C1=CC(=O)c2c([O-])cccc2C1=O	ZINC000006069724	201057854	/nfs/dbraw/zinc/05/78/54/201057854.db2.gz	SFCJKMQKLHNLCX-UHFFFAOYSA-N	-2	3	338.315	2.870	10	30	in-vitro	EFEEHL
C=CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000291934778	474760131	/nfs/dbraw/zinc/76/01/31/474760131.db2.gz	XEFBZOPLOVLNPD-UHFFFAOYSA-N	-2	3	327.402	2.880	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000569323119	479139446	/nfs/dbraw/zinc/13/94/46/479139446.db2.gz	FYWRFHQMOWCFOU-VIFPVBQESA-N	-2	3	338.212	2.691	10	30		EFEEHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-]	ZINC000646044637	481035744	/nfs/dbraw/zinc/03/57/44/481035744.db2.gz	NFJMREISTANZGF-GFCCVEGCSA-N	-2	3	339.438	2.907	10	30		EFEEHL
CCC(=NN=c1cc[n-]n1C)c1ccc(OCCCCC(=O)[O-])cc1	ZINC000814907678	1287145736	/nfs/dbraw/zinc/14/57/36/1287145736.db2.gz	ULTQRCXSBRNNFW-UHFFFAOYSA-N	-2	3	344.415	2.702	10	30		EFEEHL
C=CCCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-]	ZINC000910917196	727471998	/nfs/dbraw/zinc/47/19/98/727471998.db2.gz	NMRWSIRBORQKRR-GFCCVEGCSA-N	-2	3	342.189	2.694	10	30		EFEEHL
COc1ccc(Br)cc1C=NNc1n[n-]c(=S)[n-]1	ZINC000006245264	471536577	/nfs/dbraw/zinc/53/65/77/471536577.db2.gz	KIBVEENMMRZXRS-LFYBBSHMSA-N	-2	3	328.195	2.684	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000580937017	478371626	/nfs/dbraw/zinc/37/16/26/478371626.db2.gz	OMSFEQFFHJGKLQ-QMMMGPOBSA-N	-2	3	338.212	2.691	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CCCC1	ZINC000548194033	479124714	/nfs/dbraw/zinc/12/47/14/479124714.db2.gz	LEMQSZKLYUWRLL-UHFFFAOYSA-N	-2	3	342.804	2.864	10	30		EFEEHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Cl)c1	ZINC000183095076	526683113	/nfs/dbraw/zinc/68/31/13/526683113.db2.gz	WWMMZDWKCMMMAY-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
COc1cc(/C=C\C(=O)c2ccc([O-])cc2[O-])cc2c1OCCO2	ZINC000757471411	575840136	/nfs/dbraw/zinc/84/01/36/575840136.db2.gz	DORMBGDQWNEGHU-DJWKRKHSSA-N	-2	3	328.320	2.774	10	30		EFEEHL
CCCCCCN([O-])C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC001654819819	1101759672	/nfs/dbraw/zinc/75/96/72/1101759672.db2.gz	SEEPIYZOBUUOAB-UHFFFAOYSA-N	-2	3	349.456	2.873	10	30		EFEEHL
N#Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1Cl	ZINC000131376260	293194713	/nfs/dbraw/zinc/19/47/13/293194713.db2.gz	KBOCNLIHHLBODI-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1	ZINC000349107489	475904382	/nfs/dbraw/zinc/90/43/82/475904382.db2.gz	JYVPYAWBFYBABI-RMKNXTFCSA-N	-2	3	326.352	2.853	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)CCCCC1	ZINC000547917950	479121566	/nfs/dbraw/zinc/12/15/66/479121566.db2.gz	CBRWBYOWHLVZSL-UHFFFAOYSA-N	-2	3	340.376	2.740	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)CCCCC1	ZINC000548196507	479123985	/nfs/dbraw/zinc/12/39/85/479123985.db2.gz	MBYVEWGINPFIQQ-UHFFFAOYSA-N	-2	3	336.413	2.529	10	30		EFEEHL
COc1cc(/C=C/C(=O)c2ccc([O-])cc2[O-])cc2c1OCCO2	ZINC000757471412	575840104	/nfs/dbraw/zinc/84/01/04/575840104.db2.gz	DORMBGDQWNEGHU-GORDUTHDSA-N	-2	3	328.320	2.774	10	30		EFEEHL
COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c([N+](=O)[O-])cc1[O-]	ZINC000096930475	1294590656	/nfs/dbraw/zinc/59/06/56/1294590656.db2.gz	CCKXZXCVDFECLG-PJQLUOCWSA-N	-2	3	329.264	2.631	10	30		EFEEHL
Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1	ZINC000188382168	267300935	/nfs/dbraw/zinc/30/09/35/267300935.db2.gz	AMDDICYHIPDXDA-UHFFFAOYSA-N	-2	3	346.346	2.575	10	30		EFEEHL
C=C(C)[C@@H](O)Cc1c([O-])cc2oc3c([O-])cccc3c(=O)c2c1O	ZINC000014819728	471879919	/nfs/dbraw/zinc/87/99/19/471879919.db2.gz	LGHOTBXEERKYDS-LBPRGKRZSA-N	-2	3	328.320	2.543	10	30		EFEEHL
C=C(C)[C@@H](O)Cc1c([O-])c2c([O-])c3cccc(O)c3oc-2cc1=O	ZINC000014819728	471879920	/nfs/dbraw/zinc/87/99/20/471879920.db2.gz	LGHOTBXEERKYDS-LBPRGKRZSA-N	-2	3	328.320	2.543	10	30		EFEEHL
Cc1cccc2c3nnc(NN=Cc4ccc(O)cc4[O-])[n-]c-3nc21	ZINC000252637861	474700909	/nfs/dbraw/zinc/70/09/09/474700909.db2.gz	XXNXEADEOBPZIE-UHFFFAOYSA-N	-2	3	334.339	2.672	10	30		EFEEHL
C=CCOc1ccccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1	ZINC000349114769	475906451	/nfs/dbraw/zinc/90/64/51/475906451.db2.gz	VQBYBMRQCCQRPH-CMDGGOBGSA-N	-2	3	326.352	2.853	10	30		EFEEHL
Cc1cc(F)c(C(=O)[O-])c([N-]S(=O)(=O)CCC(C)(C)C#N)c1	ZINC000596029119	479100550	/nfs/dbraw/zinc/10/05/50/479100550.db2.gz	UJACTVSRNJNFED-UHFFFAOYSA-N	-2	3	328.365	2.514	10	30		EFEEHL
C=CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OCCC	ZINC000644632525	480485697	/nfs/dbraw/zinc/48/56/97/480485697.db2.gz	AIMAIZVBJVODNT-UHFFFAOYSA-N	-2	3	327.402	2.882	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000654787576	482051094	/nfs/dbraw/zinc/05/10/94/482051094.db2.gz	JQPNVFLHIIMAAV-JTQLQIEISA-N	-2	3	331.459	2.743	10	30		EFEEHL
O=[N+]([O-])c1cc(C=NNC([S-])=NCc2ccccc2)ccc1[O-]	ZINC000034881549	527326497	/nfs/dbraw/zinc/32/64/97/527326497.db2.gz	PRURLXKXLIJMBE-YVLHZVERSA-N	-2	3	330.369	2.710	10	30		EFEEHL
O=C(c1nn(-c2ccccc2F)cc1[O-])N([O-])Cc1ccc(F)cc1	ZINC001611667340	1099028817	/nfs/dbraw/zinc/02/88/17/1099028817.db2.gz	ZALUMBCJPUTYRH-UHFFFAOYSA-N	-2	3	345.305	2.888	10	30		EFEEHL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCCCC#N	ZINC000275077556	474062044	/nfs/dbraw/zinc/06/20/44/474062044.db2.gz	XZPBNWSDYDDLQG-UHFFFAOYSA-N	-2	3	340.401	2.608	10	30		EFEEHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-]	ZINC000646044638	481035823	/nfs/dbraw/zinc/03/58/23/481035823.db2.gz	NFJMREISTANZGF-LBPRGKRZSA-N	-2	3	339.438	2.907	10	30		EFEEHL
CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1C#N	ZINC000116980615	525917208	/nfs/dbraw/zinc/91/72/08/525917208.db2.gz	HILHJLPPZYTZOK-UHFFFAOYSA-N	-2	3	349.799	2.888	10	30		EFEEHL
C=CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000790665832	1277706161	/nfs/dbraw/zinc/70/61/61/1277706161.db2.gz	OLMFLFLHJPOQDA-UHFFFAOYSA-N	-2	3	338.212	2.936	10	30		EFEEHL
N#Cc1ccc([O-])c(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1	ZINC001152999943	1297370381	/nfs/dbraw/zinc/37/03/81/1297370381.db2.gz	LMTPKEXTHPRFLU-UHFFFAOYSA-N	-2	3	341.273	2.636	10	30		EFEEHL
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc([O-])cc(Br)c1	ZINC001362554829	1336655715	/nfs/dbraw/zinc/65/57/15/1336655715.db2.gz	UQZBKSGZSMEJFI-UHFFFAOYSA-N	-2	3	348.156	2.688	10	30		EFEEHL
C=C(Cl)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-]	ZINC000910267464	727425389	/nfs/dbraw/zinc/42/53/89/727425389.db2.gz	SRZQPLJVCKDOST-LBPRGKRZSA-N	-2	3	329.755	2.566	10	30		EFEEHL
C=C(Cl)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-]	ZINC000910267463	727425424	/nfs/dbraw/zinc/42/54/24/727425424.db2.gz	SRZQPLJVCKDOST-GFCCVEGCSA-N	-2	3	329.755	2.566	10	30		EFEEHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Cl	ZINC000161293142	239066379	/nfs/dbraw/zinc/06/63/79/239066379.db2.gz	HVZNYDYTRJGHFS-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000316010068	311234842	/nfs/dbraw/zinc/23/48/42/311234842.db2.gz	RWEYFJRDFOCGNI-UHFFFAOYSA-N	-2	3	336.756	2.711	10	30		EFEEHL
CCc1ccc([O-])c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1	ZINC000080655985	473063360	/nfs/dbraw/zinc/06/33/60/473063360.db2.gz	NSMBMODJVMZINX-UHFFFAOYSA-N	-2	3	329.381	2.901	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000560492791	478095390	/nfs/dbraw/zinc/09/53/90/478095390.db2.gz	DNHAUZQCQLQTLZ-QMMMGPOBSA-N	-2	3	338.212	2.691	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2cccc(C)c2s1	ZINC000650421555	481085648	/nfs/dbraw/zinc/08/56/48/481085648.db2.gz	OPEXKTGNFILVOH-GFCCVEGCSA-N	-2	3	339.438	2.907	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000654786535	482051126	/nfs/dbraw/zinc/05/11/26/482051126.db2.gz	DWRSEMLIYCHGLM-JTQLQIEISA-N	-2	3	338.212	2.691	10	30		EFEEHL
C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000656719537	546900105	/nfs/dbraw/zinc/90/01/05/546900105.db2.gz	YTLZGQHEBVKYFR-AAEUAGOBSA-N	-2	3	327.402	2.699	10	30		EFEEHL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000580836578	478369335	/nfs/dbraw/zinc/36/93/35/478369335.db2.gz	FDSKMOGDXASLQX-UHFFFAOYSA-N	-2	3	340.426	2.542	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000654786536	482050968	/nfs/dbraw/zinc/05/09/68/482050968.db2.gz	DWRSEMLIYCHGLM-SNVBAGLBSA-N	-2	3	338.212	2.691	10	30		EFEEHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)ccc1Cl	ZINC000758171498	575861700	/nfs/dbraw/zinc/86/17/00/575861700.db2.gz	UJOQFMSTTBJTFV-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C	ZINC000516955012	478021798	/nfs/dbraw/zinc/02/17/98/478021798.db2.gz	ZPKNOTYZAZNPKP-LLVKDONJSA-N	-2	3	341.360	2.578	10	30		EFEEHL
C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000656719540	546900440	/nfs/dbraw/zinc/90/04/40/546900440.db2.gz	YTLZGQHEBVKYFR-DGCLKSJQSA-N	-2	3	327.402	2.699	10	30		EFEEHL
CSc1[n-]c(=O)c(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1C#N	ZINC001298744136	1323600886	/nfs/dbraw/zinc/60/08/86/1323600886.db2.gz	FASGHWVVLRDFPA-UHFFFAOYSA-N	-2	3	343.364	2.541	10	30		EFEEHL
N#Cc1ccc([O-])c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1	ZINC001466537252	1396760684	/nfs/dbraw/zinc/76/06/84/1396760684.db2.gz	UOSNFFUOGZRJGZ-UHFFFAOYSA-N	-2	3	341.273	2.636	10	30		EFEEHL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N([O-])Cc1ccccc1Cl	ZINC000904189802	1107704310	/nfs/dbraw/zinc/70/43/10/1107704310.db2.gz	AINWPQHVFRWNIU-UHFFFAOYSA-N	-2	3	338.713	2.515	10	30		EFEEHL
C=C(C)[C@H](O)Cc1c([O-])cc2oc3c([O-])cccc3c(=O)c2c1O	ZINC000014819730	471879927	/nfs/dbraw/zinc/87/99/27/471879927.db2.gz	LGHOTBXEERKYDS-GFCCVEGCSA-N	-2	3	328.320	2.543	10	30		EFEEHL
C=C(C)[C@H](O)Cc1c([O-])c2c([O-])c3cccc(O)c3oc-2cc1=O	ZINC000014819730	471879928	/nfs/dbraw/zinc/87/99/28/471879928.db2.gz	LGHOTBXEERKYDS-GFCCVEGCSA-N	-2	3	328.320	2.543	10	30		EFEEHL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCCCC#N	ZINC000275006579	474038499	/nfs/dbraw/zinc/03/84/99/474038499.db2.gz	MNVXNFCMGKCZKO-UHFFFAOYSA-N	-2	3	340.401	2.609	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000580937016	478371667	/nfs/dbraw/zinc/37/16/67/478371667.db2.gz	OMSFEQFFHJGKLQ-MRVPVSSYSA-N	-2	3	338.212	2.691	10	30		EFEEHL
CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593271426	479269662	/nfs/dbraw/zinc/26/96/62/479269662.db2.gz	YRBRWMAVMKEXPC-NSHDSACASA-N	-2	3	344.458	2.569	10	30		EFEEHL
O=[N+]([O-])c1cc(C=NNC([S-])=Nc2ccccc2)c([O-])cc1[O-]	ZINC000004628740	527325097	/nfs/dbraw/zinc/32/50/97/527325097.db2.gz	HWJPGZWAVIJEMK-OVCLIPMQSA-N	-3	3	332.341	2.738	10	30		EFEEHL
COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1C#N	ZINC000443452831	250196712	/nfs/dbraw/zinc/19/67/12/250196712.db2.gz	GJIWXZVQPYKOQJ-DAXSKMNVSA-N	-2	3	339.351	2.559	10	30		EFEEHL
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000316092530	311235179	/nfs/dbraw/zinc/23/51/79/311235179.db2.gz	ASXGWRNYQDYQRL-UHFFFAOYSA-N	-2	3	336.756	2.711	10	30		EFEEHL
CSc1[n-]c(=O)c(C(=O)N2CCCc3cccc([O-])c32)cc1C#N	ZINC000352662668	475504070	/nfs/dbraw/zinc/50/40/70/475504070.db2.gz	BJLDXTAVTIHMCN-UHFFFAOYSA-N	-2	3	341.392	2.679	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000560492789	478095757	/nfs/dbraw/zinc/09/57/57/478095757.db2.gz	DNHAUZQCQLQTLZ-MRVPVSSYSA-N	-2	3	338.212	2.691	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)CCCC1	ZINC000548526226	479126731	/nfs/dbraw/zinc/12/67/31/479126731.db2.gz	BESYTDIEAUUTSE-UHFFFAOYSA-N	-2	3	342.804	2.864	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])CCCCC1	ZINC000548524842	479127093	/nfs/dbraw/zinc/12/70/93/479127093.db2.gz	AAAUMZRUEISCIK-UHFFFAOYSA-N	-2	3	340.376	2.740	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000569565005	479144310	/nfs/dbraw/zinc/14/43/10/479144310.db2.gz	AITZRYKJWSSNMG-VIFPVBQESA-N	-2	3	338.212	2.691	10	30		EFEEHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c([O-])cccc1F	ZINC000609851177	480213296	/nfs/dbraw/zinc/21/32/96/480213296.db2.gz	PABTYUOJCLEUAC-UHFFFAOYSA-N	-2	3	329.331	2.692	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2cccc(C)c2s1	ZINC000650421556	481085371	/nfs/dbraw/zinc/08/53/71/481085371.db2.gz	OPEXKTGNFILVOH-LBPRGKRZSA-N	-2	3	339.438	2.907	10	30		EFEEHL
CCCCCCN([O-])C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000904207260	1107697120	/nfs/dbraw/zinc/69/71/20/1107697120.db2.gz	XHETYLASSMLDOM-UHFFFAOYSA-N	-2	3	336.310	2.870	10	30		EFEEHL
COc1nc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)n[n-]1	ZINC000097233729	219001453	/nfs/dbraw/zinc/00/14/53/219001453.db2.gz	IWFSJCVNGQQGIR-UHFFFAOYSA-N	-2	3	325.737	2.820	10	30		EFEEHL
Cc1ccccc1CCN[C@@H](c1cccc(C#N)c1)P(=O)([O-])[O-]	ZINC000012949465	471808510	/nfs/dbraw/zinc/80/85/10/471808510.db2.gz	LFDAFMLFVDBPMM-QGZVFWFLSA-N	-2	3	330.324	2.875	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000569565004	479144771	/nfs/dbraw/zinc/14/47/71/479144771.db2.gz	AITZRYKJWSSNMG-SECBINFHSA-N	-2	3	338.212	2.691	10	30		EFEEHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC001556934555	1415096650	/nfs/dbraw/zinc/09/66/50/1415096650.db2.gz	OUUSHAHFZQNJRJ-UHFFFAOYSA-N	-2	3	347.321	2.831	10	30		EFEEHL
Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc(C#N)c([O-])c3)[nH][n-]2)c1	ZINC000443358704	250188838	/nfs/dbraw/zinc/18/88/38/250188838.db2.gz	NYSWNLNKXHQIHI-UHFFFAOYSA-N	-2	3	332.363	2.945	10	30		EFEEHL
COc1cc([O-])cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000355819811	147074077	/nfs/dbraw/zinc/07/40/77/147074077.db2.gz	OSDXCGJLLLLOBE-UHFFFAOYSA-N	-2	3	338.772	2.727	10	30		EFEEHL
N#Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1Cl	ZINC000131509985	293199501	/nfs/dbraw/zinc/19/95/01/293199501.db2.gz	NHGMPERYOIZENS-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
COc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c([O-])c1	ZINC000006170202	471533825	/nfs/dbraw/zinc/53/38/25/471533825.db2.gz	CBAQHYFLCKWSNR-GIJQJNRQSA-N	-2	3	334.339	2.666	10	30		EFEEHL
C=CCOc1ccccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1	ZINC000349114770	475905734	/nfs/dbraw/zinc/90/57/34/475905734.db2.gz	VQBYBMRQCCQRPH-HJWRWDBZSA-N	-2	3	326.352	2.853	10	30		EFEEHL
CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)ccc2[O-])cc1C#N	ZINC000067145542	526214965	/nfs/dbraw/zinc/21/49/65/526214965.db2.gz	HAZIBSTZXJYLGT-UHFFFAOYSA-N	-2	3	335.772	2.992	10	30		EFEEHL
[O-]c1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)nc1	ZINC000755591271	575604638	/nfs/dbraw/zinc/60/46/38/575604638.db2.gz	SLMSHTQIYUXSAV-UHFFFAOYSA-N	-2	3	343.437	2.842	10	30		EFEEHL
CCOc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(Cl)c1[O-]	ZINC000763372485	576374639	/nfs/dbraw/zinc/37/46/39/576374639.db2.gz	YYFVVRHVXJPBDG-UHFFFAOYSA-N	-2	3	335.747	2.984	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)CCCC1	ZINC000548198650	479124243	/nfs/dbraw/zinc/12/42/43/479124243.db2.gz	BWIWQLLHJXTLSW-UHFFFAOYSA-N	-2	3	342.804	2.864	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)CCCC1	ZINC000548549941	479127512	/nfs/dbraw/zinc/12/75/12/479127512.db2.gz	KPYTYNFBNJNBHH-UHFFFAOYSA-N	-2	3	342.804	2.864	10	30		EFEEHL
C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000656719542	546900575	/nfs/dbraw/zinc/90/05/75/546900575.db2.gz	YTLZGQHEBVKYFR-YPMHNXCESA-N	-2	3	327.402	2.699	10	30		EFEEHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2[O-])cc1	ZINC000050004753	214039945	/nfs/dbraw/zinc/03/99/45/214039945.db2.gz	CSHNWFXMPNGJFG-MFOYZWKCSA-N	-2	3	342.380	2.910	10	30		EFEEHL
N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1F	ZINC000339210120	475043743	/nfs/dbraw/zinc/04/37/43/475043743.db2.gz	MXVPNDPHFMCGCW-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C	ZINC000516955013	478021705	/nfs/dbraw/zinc/02/17/05/478021705.db2.gz	ZPKNOTYZAZNPKP-NSHDSACASA-N	-2	3	341.360	2.578	10	30		EFEEHL
N#CC1(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])CCCC1	ZINC000548198385	479124310	/nfs/dbraw/zinc/12/43/10/479124310.db2.gz	LSSKSLUPUXCVKL-UHFFFAOYSA-N	-2	3	342.804	2.864	10	30		EFEEHL
C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000656719541	546900375	/nfs/dbraw/zinc/90/03/75/546900375.db2.gz	YTLZGQHEBVKYFR-WCQYABFASA-N	-2	3	327.402	2.699	10	30		EFEEHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1F	ZINC000070333923	1101775296	/nfs/dbraw/zinc/77/52/96/1101775296.db2.gz	CUDDFLZBNAMLSV-UHFFFAOYSA-N	-2	3	326.736	2.857	10	30		EFEEHL
Cc1ccccc1CCN[C@H](c1cccc(C#N)c1)P(=O)([O-])[O-]	ZINC000012949467	471807672	/nfs/dbraw/zinc/80/76/72/471807672.db2.gz	LFDAFMLFVDBPMM-KRWDZBQOSA-N	-2	3	330.324	2.875	10	30		EFEEHL
C=CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1	ZINC000349107492	475904400	/nfs/dbraw/zinc/90/44/00/475904400.db2.gz	JYVPYAWBFYBABI-TWGQIWQCSA-N	-2	3	326.352	2.853	10	30		EFEEHL
CCC[C@H](CCCC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593271425	479270366	/nfs/dbraw/zinc/27/03/66/479270366.db2.gz	YRBRWMAVMKEXPC-LLVKDONJSA-N	-2	3	344.458	2.569	10	30		EFEEHL
Cc1cc(C)cc(-c2cc(=NC(=O)c3cc([O-])cc(C#N)c3)[nH][n-]2)c1	ZINC000614298065	480257734	/nfs/dbraw/zinc/25/77/34/480257734.db2.gz	AKWRDQOXYSMPJC-UHFFFAOYSA-N	-2	3	332.363	2.945	10	30		EFEEHL
[O-]c1c(O)cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1Cl	ZINC000252497883	545614863	/nfs/dbraw/zinc/61/48/63/545614863.db2.gz	GMFPZNYWYJIJKF-UHFFFAOYSA-N	-2	3	338.698	2.532	10	30		EFEEHL
C=CCCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-]	ZINC000910917197	727472020	/nfs/dbraw/zinc/47/20/20/727472020.db2.gz	NMRWSIRBORQKRR-LBPRGKRZSA-N	-2	3	342.189	2.694	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000581116577	478373575	/nfs/dbraw/zinc/37/35/75/478373575.db2.gz	SQDDWHRTJJMZGG-MRVPVSSYSA-N	-2	3	338.212	2.691	10	30		EFEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000581116578	478373737	/nfs/dbraw/zinc/37/37/37/478373737.db2.gz	SQDDWHRTJJMZGG-QMMMGPOBSA-N	-2	3	338.212	2.691	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000569323118	479139453	/nfs/dbraw/zinc/13/94/53/479139453.db2.gz	FYWRFHQMOWCFOU-SECBINFHSA-N	-2	3	338.212	2.691	10	30		EFEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000654787577	482050549	/nfs/dbraw/zinc/05/05/49/482050549.db2.gz	JQPNVFLHIIMAAV-SNVBAGLBSA-N	-2	3	331.459	2.743	10	30		EFEEHL
CC(=NNC(=S)Nc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757451613	575839644	/nfs/dbraw/zinc/83/96/44/575839644.db2.gz	VRWJOEYSNVOSNR-UHFFFAOYSA-N	-2	3	347.371	2.940	10	30		EFEEHL