smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000589438872	854876443	/nfs/dbraw/zinc/87/64/43/854876443.db2.gz	FVODCJWDXZSBDF-UHFFFAOYSA-N	-2	1	375.446	3.757	20	30		GHEDML
CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1	ZINC000593211507	857402090	/nfs/dbraw/zinc/40/20/90/857402090.db2.gz	QPGSXNWQLNYSTA-UHFFFAOYSA-N	-2	1	386.473	3.696	20	30		GHEDML
C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1)C(=O)[O-]	ZINC000745020155	869240385	/nfs/dbraw/zinc/24/03/85/869240385.db2.gz	DBEHEVUAUWNBBW-JPVGGKMYSA-N	-2	1	391.217	3.903	20	30		GHEDML
N#CC1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)CCCC1	ZINC001186188407	914350438	/nfs/dbraw/zinc/35/04/38/914350438.db2.gz	MLSQJRQEUJKOTA-UHFFFAOYSA-N	-2	1	388.420	3.660	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c(C(=O)[O-])c1	ZINC000833751098	605188999	/nfs/dbraw/zinc/18/89/99/605188999.db2.gz	ODNPJAYBIMBOHA-ZDUSSCGKSA-N	-2	1	390.486	3.746	20	30		GHEDML
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000255716836	835657289	/nfs/dbraw/zinc/65/72/89/835657289.db2.gz	SGJPTUKVSLYYKE-UHFFFAOYSA-N	-2	1	397.412	3.852	20	30		GHEDML
CCc1cc(C(=O)N=c2[n-]nc(SCc3ccc(C#N)cc3)s2)ccc1[O-]	ZINC000485861605	857164133	/nfs/dbraw/zinc/16/41/33/857164133.db2.gz	IZGAQLCJCRIKKM-UHFFFAOYSA-N	-2	1	396.497	3.644	20	30		GHEDML
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc([O-])c(Br)c1)CC2	ZINC000920067854	881571095	/nfs/dbraw/zinc/57/10/95/881571095.db2.gz	FDHJVVBJOPUTQX-UXBLZVDNSA-N	-2	1	377.190	3.967	20	30		GHEDML
CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc(CC)c1C#N	ZINC001188315078	915882489	/nfs/dbraw/zinc/88/24/89/915882489.db2.gz	VQQXGTHAIMEPNF-UHFFFAOYSA-N	-2	1	392.864	3.835	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c2ccccc12	ZINC001192099789	918406956	/nfs/dbraw/zinc/40/69/56/918406956.db2.gz	BEZGINKCBYVJJR-UHFFFAOYSA-N	-2	1	380.425	3.529	20	30		GHEDML
O=c1nc2ncsc2c(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)[n-]1	ZINC001227607707	1032483223	/nfs/dbraw/zinc/48/32/23/1032483223.db2.gz	LFYFHUPNDZRYHH-JNCAFBRLSA-N	-2	1	378.413	3.791	20	30		GHEDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000466286192	599838540	/nfs/dbraw/zinc/83/85/40/599838540.db2.gz	JHIKWEWOJYAMGM-GFCCVEGCSA-N	-2	1	390.486	3.746	20	30		GHEDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1C(=O)[O-]	ZINC000609379807	845508084	/nfs/dbraw/zinc/50/80/84/845508084.db2.gz	GDOPCJHYYYAFGR-UHFFFAOYSA-N	-2	1	390.486	3.808	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1	ZINC000440818271	853639253	/nfs/dbraw/zinc/63/92/53/853639253.db2.gz	SYRNWUGERNMPJW-UHFFFAOYSA-N	-2	1	375.446	3.703	20	30		GHEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000477430454	599974192	/nfs/dbraw/zinc/97/41/92/599974192.db2.gz	ZHKZHRJEOYFABR-GFCCVEGCSA-N	-2	1	390.486	3.888	20	30		GHEDML
N#CCCN(Cc1cccnc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000728194401	835093746	/nfs/dbraw/zinc/09/37/46/835093746.db2.gz	OOMXSSMGVLEPBK-UHFFFAOYSA-N	-2	1	387.439	3.640	20	30		GHEDML
C=CCCCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000890814688	837201841	/nfs/dbraw/zinc/20/18/41/837201841.db2.gz	BUXSNVRMKDQNIP-UHFFFAOYSA-N	-2	1	394.518	3.683	20	30		GHEDML
N#Cc1cc2ccc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)cc2cc1C#N	ZINC001167940283	844877076	/nfs/dbraw/zinc/87/70/76/844877076.db2.gz	UHPTVOSSXULCHS-UHFFFAOYSA-N	-2	1	389.351	3.668	20	30		GHEDML
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cc1	ZINC000603975291	861523390	/nfs/dbraw/zinc/52/33/90/861523390.db2.gz	SFOCISBYXGIEHV-UHFFFAOYSA-N	-2	1	398.484	3.866	20	30		GHEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-]	ZINC000463778617	872556155	/nfs/dbraw/zinc/55/61/55/872556155.db2.gz	ONDDUWHNPOGFNE-CYBMUJFWSA-N	-2	1	392.864	3.666	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1F	ZINC001196096229	872876662	/nfs/dbraw/zinc/87/66/62/872876662.db2.gz	CVCJEDWQJIJLKB-UHFFFAOYSA-N	-2	1	396.399	3.863	20	30		GHEDML
COc1c(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cccc1C(=O)[O-]	ZINC001211032866	1027762617	/nfs/dbraw/zinc/76/26/17/1027762617.db2.gz	GIWWFIYWZHSIGN-KEBDBYFISA-N	-2	1	396.428	3.672	20	30		GHEDML
N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c2)cc1	ZINC000739129977	599851419	/nfs/dbraw/zinc/85/14/19/599851419.db2.gz	IKIIOPKJMFWVEB-UHFFFAOYSA-N	-2	1	394.408	3.850	20	30		GHEDML
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000521800217	599974394	/nfs/dbraw/zinc/97/43/94/599974394.db2.gz	ICSNLDKSOVEFNB-GFCCVEGCSA-N	-2	1	376.459	3.580	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c(C(=O)[O-])c1	ZINC000833751284	605188767	/nfs/dbraw/zinc/18/87/67/605188767.db2.gz	SOUIPWXINUZBGT-ZDUSSCGKSA-N	-2	1	390.486	3.888	20	30		GHEDML
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000511240510	834463480	/nfs/dbraw/zinc/46/34/80/834463480.db2.gz	LCDYXBXYSRSMFI-UHFFFAOYSA-N	-2	1	378.837	3.834	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc(C(=O)[O-])c1C	ZINC000471120334	834776293	/nfs/dbraw/zinc/77/62/93/834776293.db2.gz	IDLRHKYJTRTFDE-UHFFFAOYSA-N	-2	1	390.486	3.808	20	30		GHEDML
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000438773868	852832143	/nfs/dbraw/zinc/83/21/43/852832143.db2.gz	TYIQJIKNRYCSHY-UHFFFAOYSA-N	-2	1	396.877	3.845	20	30		GHEDML
C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1)C(=O)[O-]	ZINC000745020156	869240533	/nfs/dbraw/zinc/24/05/33/869240533.db2.gz	DBEHEVUAUWNBBW-OKPNEXGHSA-N	-2	1	391.217	3.903	20	30		GHEDML
N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1[O-]	ZINC001260322699	1045460624	/nfs/dbraw/zinc/46/06/24/1045460624.db2.gz	UDXXDMFRNDZQAR-UHFFFAOYSA-N	-2	1	376.743	3.737	20	30		GHEDML
CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000739443923	602653769	/nfs/dbraw/zinc/65/37/69/602653769.db2.gz	HTVZYWHEOFIINC-UHFFFAOYSA-N	-2	1	393.852	3.512	20	30		GHEDML
N#CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1	ZINC001323683431	1056999564	/nfs/dbraw/zinc/99/95/64/1056999564.db2.gz	JZHGUTBWTRQBHQ-UHFFFAOYSA-N	-2	1	385.228	3.558	20	30		GHEDML
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000511280281	834970343	/nfs/dbraw/zinc/97/03/43/834970343.db2.gz	MHUFSSKXNKQJRO-UHFFFAOYSA-N	-2	1	378.837	3.834	20	30		GHEDML
C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-]	ZINC000504695745	850243615	/nfs/dbraw/zinc/24/36/15/850243615.db2.gz	RQPLGZGXNYGNNT-SNVBAGLBSA-N	-2	1	396.877	3.578	20	30		GHEDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SCCC#N	ZINC000609379892	883123545	/nfs/dbraw/zinc/12/35/45/883123545.db2.gz	RUOROHPQSFOVNL-UHFFFAOYSA-N	-2	1	390.486	3.754	20	30		GHEDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc4ccccc4s3)c2)o1	ZINC000808072752	885974745	/nfs/dbraw/zinc/97/47/45/885974745.db2.gz	QXSUVLQDLJEXGL-UHFFFAOYSA-N	-2	1	397.437	3.934	20	30		GHEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000477430457	599974109	/nfs/dbraw/zinc/97/41/09/599974109.db2.gz	ZHKZHRJEOYFABR-LBPRGKRZSA-N	-2	1	390.486	3.888	20	30		GHEDML
C#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC001196096146	872876333	/nfs/dbraw/zinc/87/63/33/872876333.db2.gz	AJEGADDPRFMEAQ-UHFFFAOYSA-N	-2	1	377.421	3.834	20	30		GHEDML
N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001186191337	914351958	/nfs/dbraw/zinc/35/19/58/914351958.db2.gz	SLNQUQHVRUHUKQ-UHFFFAOYSA-N	-2	1	396.399	3.863	20	30		GHEDML
Cc1ccc([O-])c(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(Br)c2)c1	ZINC000757467233	929712446	/nfs/dbraw/zinc/71/24/46/929712446.db2.gz	CXTYQABDCLHAGR-UTCJRWHESA-N	-2	1	391.217	3.823	20	30		GHEDML
CCC1=C(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C(=O)[C@@H](C)O1	ZINC001229772136	1033702071	/nfs/dbraw/zinc/70/20/71/1033702071.db2.gz	XQPLFSUGUKTYNJ-LLVKDONJSA-N	-2	1	394.379	3.859	20	30		GHEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000477426027	599908282	/nfs/dbraw/zinc/90/82/82/599908282.db2.gz	USMFGXCHMOVPGA-LBPRGKRZSA-N	-2	1	390.486	3.746	20	30		GHEDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1C	ZINC000610336118	838533744	/nfs/dbraw/zinc/53/37/44/838533744.db2.gz	MESKIFWFOUDDQM-UHFFFAOYSA-N	-2	1	398.362	3.693	20	30		GHEDML
O=C([O-])Cc1cccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1	ZINC001210069312	1027332410	/nfs/dbraw/zinc/33/24/10/1027332410.db2.gz	MJRCZWMZFFTHQN-RGVLZGJSSA-N	-2	1	380.429	3.592	20	30		GHEDML
C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-]	ZINC000504695744	850243155	/nfs/dbraw/zinc/24/31/55/850243155.db2.gz	RQPLGZGXNYGNNT-JTQLQIEISA-N	-2	1	396.877	3.578	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc(C(=O)[O-])c1F	ZINC000763279496	888436541	/nfs/dbraw/zinc/43/65/41/888436541.db2.gz	AWMKWEOJVGYWTC-UHFFFAOYSA-N	-2	1	394.449	3.639	20	30		GHEDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(SCCC(=O)[O-])c1	ZINC000435701567	850782561	/nfs/dbraw/zinc/78/25/61/850782561.db2.gz	RRUTUTRKNFDZDV-UHFFFAOYSA-N	-2	1	390.486	3.543	20	30		GHEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1	ZINC000476275189	884336107	/nfs/dbraw/zinc/33/61/07/884336107.db2.gz	GSMCRQYBZQTIRC-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
O=C([O-])COc1ccc(Br)cc1C(=O)/C=C/c1ccc([O-])c(F)c1	ZINC000794728322	887952405	/nfs/dbraw/zinc/95/24/05/887952405.db2.gz	ONHQMENZLOZZKB-DAFODLJHSA-N	-2	1	395.180	3.653	20	30		GHEDML
COc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c([O-])c1	ZINC001599486323	996856596	/nfs/dbraw/zinc/85/65/96/996856596.db2.gz	HOQBDNRKSODTHH-UHFFFAOYSA-N	-2	1	387.391	3.751	20	30		GHEDML
COc1cc(C(=O)[O-])ccc1N=NC(C)c1cnc2sc(C(=O)[O-])c(C)c2c1	ZINC001599375425	998477362	/nfs/dbraw/zinc/47/73/62/998477362.db2.gz	WFXOJMUYMPECNY-UHFFFAOYSA-N	-2	1	399.428	3.846	20	30		GHEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000743263254	601829893	/nfs/dbraw/zinc/82/98/93/601829893.db2.gz	BCNZCLWAZFFFJL-UHFFFAOYSA-N	-2	1	393.852	3.533	20	30		GHEDML
CCOc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc(Br)c1[O-]	ZINC000436629319	852125199	/nfs/dbraw/zinc/12/51/99/852125199.db2.gz	VAJQTSPPAKBMDS-HWKANZROSA-N	-2	1	389.205	3.689	20	30		GHEDML
N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1F	ZINC001192429749	870358821	/nfs/dbraw/zinc/35/88/21/870358821.db2.gz	PBANJUSDGFVFBR-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
N#CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1	ZINC001196096222	872876235	/nfs/dbraw/zinc/87/62/35/872876235.db2.gz	CHEFFFXNDLSWRT-UHFFFAOYSA-N	-2	1	392.436	3.919	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1	ZINC000763279774	888435349	/nfs/dbraw/zinc/43/53/49/888435349.db2.gz	MUVVSAKLLVNEMU-UHFFFAOYSA-N	-2	1	379.409	3.588	20	30		GHEDML
O=C([O-])COc1cccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1	ZINC000916157754	888775297	/nfs/dbraw/zinc/77/52/97/888775297.db2.gz	VCQPLHYKIXGZEX-XQRVVYSFSA-N	-2	1	377.190	3.514	20	30		GHEDML
N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)cc1	ZINC001186133276	914322205	/nfs/dbraw/zinc/32/22/05/914322205.db2.gz	AQHBVMZZIRYIFA-UHFFFAOYSA-N	-2	1	396.399	3.863	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)ccc1C(=O)[O-]	ZINC000506625588	600892661	/nfs/dbraw/zinc/89/26/61/600892661.db2.gz	UOJZMGWMCBHHOW-LBPRGKRZSA-N	-2	1	390.486	3.746	20	30		GHEDML
C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1)C(=O)[O-]	ZINC000504665023	850222727	/nfs/dbraw/zinc/22/27/27/850222727.db2.gz	CJXBNMAHLBIVDD-SNVBAGLBSA-N	-2	1	396.877	3.578	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000589438582	854876671	/nfs/dbraw/zinc/87/66/71/854876671.db2.gz	ABFYILOUFCEWIZ-UHFFFAOYSA-N	-2	1	375.446	3.757	20	30		GHEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C	ZINC000443415549	858649435	/nfs/dbraw/zinc/64/94/35/858649435.db2.gz	GADRZPGBSLPXJT-UHFFFAOYSA-N	-2	1	389.473	3.686	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c1	ZINC000524248116	868766772	/nfs/dbraw/zinc/76/67/72/868766772.db2.gz	RDVLLUAKROXIBH-UHFFFAOYSA-N	-2	1	391.445	3.539	20	30		GHEDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1	ZINC000476279655	884339939	/nfs/dbraw/zinc/33/99/39/884339939.db2.gz	UHGJPIONONTNLR-UHFFFAOYSA-N	-2	1	392.864	3.949	20	30		GHEDML
O=S(=O)([O-])c1cc(O)ccc1O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1	ZINC001226409758	1031950992	/nfs/dbraw/zinc/95/09/92/1031950992.db2.gz	NCKJHBRNMJULFW-GOBJLOIFSA-N	-2	1	399.424	3.638	20	30		GHEDML
N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001259219632	1045016591	/nfs/dbraw/zinc/01/65/91/1045016591.db2.gz	CYSZCPGRTPVJSS-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1	ZINC000736094433	600098951	/nfs/dbraw/zinc/09/89/51/600098951.db2.gz	FXVKMRSDYDFHRH-UHFFFAOYSA-N	-2	1	381.837	3.794	20	30		GHEDML
N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])cn2)c1	ZINC000831152729	603560165	/nfs/dbraw/zinc/56/01/65/603560165.db2.gz	KWLLZIUTKCKKRR-UHFFFAOYSA-N	-2	1	390.355	3.793	20	30		GHEDML
CCc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1C(=O)[O-]	ZINC000440835624	853668080	/nfs/dbraw/zinc/66/80/80/853668080.db2.gz	XRZDTMDVTCFJPF-UHFFFAOYSA-N	-2	1	390.486	3.754	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c1	ZINC000589439142	854877549	/nfs/dbraw/zinc/87/75/49/854877549.db2.gz	RQJBPGBXEHVSMW-UHFFFAOYSA-N	-2	1	375.446	3.703	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)ccc1C(=O)[O-]	ZINC000506638281	600893295	/nfs/dbraw/zinc/89/32/95/600893295.db2.gz	CCQMJEMLPIRCRF-CYBMUJFWSA-N	-2	1	390.486	3.888	20	30		GHEDML
CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCCCC[P@](=O)([O-])O)c1	ZINC001197366588	873775160	/nfs/dbraw/zinc/77/51/60/873775160.db2.gz	YWHLMOVMWFRQNR-UHFFFAOYSA-N	-2	1	399.424	3.623	20	30		GHEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1[O-]	ZINC001260269942	1045435195	/nfs/dbraw/zinc/43/51/95/1045435195.db2.gz	DVODIHWFVZVMQI-UHFFFAOYSA-N	-2	1	376.743	3.737	20	30		GHEDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000518649834	599838441	/nfs/dbraw/zinc/83/84/41/599838441.db2.gz	VDIPLWZHUPXTTE-LBPRGKRZSA-N	-2	1	390.486	3.746	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc(C(=O)[O-])c1C	ZINC000471111710	834656061	/nfs/dbraw/zinc/65/60/61/834656061.db2.gz	CVEOJNGBIHXWFC-UHFFFAOYSA-N	-2	1	398.362	3.693	20	30		GHEDML
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1	ZINC000255310978	841516821	/nfs/dbraw/zinc/51/68/21/841516821.db2.gz	PQJGJQQFOQNAHG-UHFFFAOYSA-N	-2	1	397.412	3.852	20	30		GHEDML
N#CCc1cc2ccccc2c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1	ZINC001167939438	844850896	/nfs/dbraw/zinc/85/08/96/844850896.db2.gz	VBPYPEYRZCXMTD-UHFFFAOYSA-N	-2	1	378.368	3.991	20	30		GHEDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(SCCC(=O)[O-])c1	ZINC000484490273	860030614	/nfs/dbraw/zinc/03/06/14/860030614.db2.gz	XPYBFYUXVQXPOF-UHFFFAOYSA-N	-2	1	390.486	3.543	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1	ZINC000793388712	882164222	/nfs/dbraw/zinc/16/42/22/882164222.db2.gz	PPSFXWDROWXKIY-UHFFFAOYSA-N	-2	1	379.409	3.588	20	30		GHEDML
C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1)C(=O)[O-]	ZINC000504665020	850222929	/nfs/dbraw/zinc/22/29/29/850222929.db2.gz	CJXBNMAHLBIVDD-JTQLQIEISA-N	-2	1	396.877	3.578	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000438769000	852825739	/nfs/dbraw/zinc/82/57/39/852825739.db2.gz	ATBUPTXWSCHXSO-UHFFFAOYSA-N	-2	1	381.837	3.794	20	30		GHEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000485043727	856041498	/nfs/dbraw/zinc/04/14/98/856041498.db2.gz	NYDRDBNCWOTOKC-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000179029564	858674431	/nfs/dbraw/zinc/67/44/31/858674431.db2.gz	IGAVXLAHLBCPMF-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)cc1C(=O)[O-]	ZINC001192602195	870531997	/nfs/dbraw/zinc/53/19/97/870531997.db2.gz	TVRJEECDRFDXFQ-UHFFFAOYSA-N	-2	1	396.424	3.609	20	30		GHEDML
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808115236	886028349	/nfs/dbraw/zinc/02/83/49/886028349.db2.gz	UJFWMGFSIATVKQ-UHFFFAOYSA-N	-2	1	394.733	3.876	20	30		GHEDML
N#Cc1c(-c2ccccc2)ccnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167931418	844631323	/nfs/dbraw/zinc/63/13/23/844631323.db2.gz	CXQCAFYRONFNPV-UHFFFAOYSA-N	-2	1	391.367	3.705	20	30		GHEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000443419931	858660219	/nfs/dbraw/zinc/66/02/19/858660219.db2.gz	SEKFOBIHHNUWJZ-UHFFFAOYSA-N	-2	1	387.457	3.654	20	30		GHEDML
Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(SCCC(=O)[O-])c1	ZINC000460449807	886406751	/nfs/dbraw/zinc/40/67/51/886406751.db2.gz	QSUFYLVUWRCMCT-UHFFFAOYSA-N	-2	1	390.486	3.543	20	30		GHEDML
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC001589016513	984995541	/nfs/dbraw/zinc/99/55/41/984995541.db2.gz	SWJXJXXNVMJGBN-NSHDSACASA-N	-2	1	376.796	3.726	20	30		GHEDML
C=CCC(C)(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000436944360	852526185	/nfs/dbraw/zinc/52/61/85/852526185.db2.gz	PQPIBHXSZRAMGE-UHFFFAOYSA-N	-2	1	394.518	3.587	20	30		GHEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C(=O)[O-]	ZINC000479257244	867439663	/nfs/dbraw/zinc/43/96/63/867439663.db2.gz	XZJGDJWAAJHMFR-UHFFFAOYSA-N	-2	1	392.864	3.949	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(F)c1Cl	ZINC001187583274	915350101	/nfs/dbraw/zinc/35/01/01/915350101.db2.gz	UCYSKVMKDKTGFK-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
O=S(=O)([O-])c1ccc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)cc1	ZINC001225514459	1031449441	/nfs/dbraw/zinc/44/94/41/1031449441.db2.gz	NEFXXPGUDKEWCY-GOBJLOIFSA-N	-2	1	383.425	3.932	20	30		GHEDML
N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1	ZINC000833760404	605169679	/nfs/dbraw/zinc/16/96/79/605169679.db2.gz	QHKHOOMSDHLNLV-UHFFFAOYSA-N	-2	1	394.836	3.522	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)cc1C#N	ZINC001201323043	875633303	/nfs/dbraw/zinc/63/33/03/875633303.db2.gz	XRJYYBPBVIAHIE-GOSISDBHSA-N	-2	1	386.473	3.882	20	30		GHEDML
Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC001188313858	915880515	/nfs/dbraw/zinc/88/05/15/915880515.db2.gz	BFWHZBMZGHAGLK-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
O=C([O-])c1ccoc1COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1	ZINC000757467213	929713076	/nfs/dbraw/zinc/71/30/76/929713076.db2.gz	BVSMJDKSOMOGBP-CLTKARDFSA-N	-2	1	380.352	3.864	20	30		GHEDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000547875773	837336908	/nfs/dbraw/zinc/33/69/08/837336908.db2.gz	PFQLHIHWMAKSQH-UHFFFAOYSA-N	-2	1	398.362	3.693	20	30		GHEDML
CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1	ZINC000593203543	857392251	/nfs/dbraw/zinc/39/22/51/857392251.db2.gz	NUMQYRWTWZLTIJ-UHFFFAOYSA-N	-2	1	386.473	3.651	20	30		GHEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000121712762	871093722	/nfs/dbraw/zinc/09/37/22/871093722.db2.gz	QENMULWLGMVGLS-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2ccccc12	ZINC001188272459	915865332	/nfs/dbraw/zinc/86/53/32/915865332.db2.gz	AJOJDOPRJIVFTP-UHFFFAOYSA-N	-2	1	386.816	3.864	20	30		GHEDML
CCC1=C(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C(=O)[C@H](C)O1	ZINC001229772137	1033702964	/nfs/dbraw/zinc/70/29/64/1033702964.db2.gz	XQPLFSUGUKTYNJ-NSHDSACASA-N	-2	1	394.379	3.859	20	30		GHEDML
N#Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc2ccc(Cl)cc12	ZINC001157165706	1033442315	/nfs/dbraw/zinc/44/23/15/1033442315.db2.gz	PFFWSFNDUUTHOB-UHFFFAOYSA-N	-2	1	399.774	3.845	20	30		GHEDML
N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)c(F)[n-]c(=O)c2Cl)c(Cl)c1	ZINC001259107316	1044965284	/nfs/dbraw/zinc/96/52/84/1044965284.db2.gz	QJJDFMSVFFWBKE-UHFFFAOYSA-N	-2	1	396.614	3.559	20	30		GHEDML
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000609379855	883123371	/nfs/dbraw/zinc/12/33/71/883123371.db2.gz	MZUNGWOEGVFCSX-UHFFFAOYSA-N	-2	1	390.486	3.510	20	30		GHEDML
N#CC1(c2ccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc2)CCCC1	ZINC001192141219	918474780	/nfs/dbraw/zinc/47/47/80/918474780.db2.gz	PQRVKLIKKCHHRH-UHFFFAOYSA-N	-2	1	398.484	3.840	20	30		GHEDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SCCC#N	ZINC000793391796	882166706	/nfs/dbraw/zinc/16/67/06/882166706.db2.gz	CLAZMFJQNSJPQI-UHFFFAOYSA-N	-2	1	394.449	3.639	20	30		GHEDML
C[C@H](Oc1cccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1)C(=O)[O-]	ZINC000745020158	869240295	/nfs/dbraw/zinc/24/02/95/869240295.db2.gz	DBEHEVUAUWNBBW-ZRQQLDRUSA-N	-2	1	391.217	3.903	20	30		GHEDML
COc1cc(C(=O)[O-])ccc1N=NC(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814887306	893259899	/nfs/dbraw/zinc/25/98/99/893259899.db2.gz	PXTSBQICEZAKOK-UHFFFAOYSA-N	-2	1	396.399	3.911	20	30		GHEDML
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc([O-])c(Br)c1)CC2	ZINC000920067853	881571180	/nfs/dbraw/zinc/57/11/80/881571180.db2.gz	FDHJVVBJOPUTQX-POHAHGRESA-N	-2	1	377.190	3.967	20	30		GHEDML
COc1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)ccc1C(=O)[O-]	ZINC001174684790	907145995	/nfs/dbraw/zinc/14/59/95/907145995.db2.gz	ZZEKBLLKNLRFLO-KEBDBYFISA-N	-2	1	396.428	3.672	20	30		GHEDML
O=C([O-])c1cc(NN=Cc2cc(O)c([O-])c(Br)c2)ccc1Cl	ZINC000757559995	929730537	/nfs/dbraw/zinc/73/05/37/929730537.db2.gz	DMVHVFCFWHVMLG-UHFFFAOYSA-N	-2	1	385.601	3.658	20	30		GHEDML
C=CCCC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1	ZINC001153523895	1031633461	/nfs/dbraw/zinc/63/34/61/1031633461.db2.gz	NQYNZCRGULSZBV-OAHLLOKOSA-N	-2	1	378.432	3.572	20	30		GHEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(Br)c(Cl)s2)ccc1[O-]	ZINC001260490503	1045514046	/nfs/dbraw/zinc/51/40/46/1045514046.db2.gz	CFTGPLPNCRTNLE-UHFFFAOYSA-N	-2	1	393.671	3.542	20	30		GHEDML
CC(=NOC(C)(C)C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC001341306986	1060568302	/nfs/dbraw/zinc/56/83/02/1060568302.db2.gz	DXBZIFUOZDAMQS-UHFFFAOYSA-N	-2	1	390.461	3.725	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC000833370421	605123691	/nfs/dbraw/zinc/12/36/91/605123691.db2.gz	ONKCGKFFUCHICV-UHFFFAOYSA-N	-2	1	387.457	3.559	20	30		GHEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000443415590	858649301	/nfs/dbraw/zinc/64/93/01/858649301.db2.gz	GGEZFVMMNJPLPK-UHFFFAOYSA-N	-2	1	395.864	3.723	20	30		GHEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1	ZINC000759089289	930269665	/nfs/dbraw/zinc/26/96/65/930269665.db2.gz	JHXMLUJCPRNZNT-UHFFFAOYSA-N	-2	1	381.837	3.712	20	30		GHEDML
N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC001260182653	1045404727	/nfs/dbraw/zinc/40/47/27/1045404727.db2.gz	LTWAMLUVOVHKIB-UHFFFAOYSA-N	-2	1	378.409	3.724	20	30		GHEDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000466294235	599974254	/nfs/dbraw/zinc/97/42/54/599974254.db2.gz	WVOIVFSUWPTCJO-CYBMUJFWSA-N	-2	1	390.486	3.888	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1C(=O)[O-]	ZINC000517442727	600815616	/nfs/dbraw/zinc/81/56/16/600815616.db2.gz	FBFSYWNDHHJJKK-GFCCVEGCSA-N	-2	1	390.486	3.746	20	30		GHEDML
N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)cc1	ZINC001198782375	874606464	/nfs/dbraw/zinc/60/64/64/874606464.db2.gz	HGTKRZLLKZSGSD-UHFFFAOYSA-N	-2	1	394.408	3.850	20	30		GHEDML
C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1)C(=O)[O-]	ZINC000593210737	857400213	/nfs/dbraw/zinc/40/02/13/857400213.db2.gz	MLIIFNNPHFXLFZ-CQSZACIVSA-N	-2	1	386.473	3.552	20	30		GHEDML
C=CCCC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000776016584	875136560	/nfs/dbraw/zinc/13/65/60/875136560.db2.gz	RCMOJBZFCBXNSK-ZDUSSCGKSA-N	-2	1	394.518	3.729	20	30		GHEDML
COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(Br)c1[O-]	ZINC000759091117	930270273	/nfs/dbraw/zinc/27/02/73/930270273.db2.gz	PAXHQHGQNLMELU-DUXPYHPUSA-N	-2	1	394.177	3.673	20	30		GHEDML
C=CCCC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001301339701	1046501389	/nfs/dbraw/zinc/50/13/89/1046501389.db2.gz	CVWLUESNZPFHLU-UHFFFAOYSA-N	-2	1	394.518	3.729	20	30		GHEDML
O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)cc1	ZINC000481957707	600626701	/nfs/dbraw/zinc/62/67/01/600626701.db2.gz	HNTQFWBCSXAMJG-UHFFFAOYSA-N	-2	1	391.448	3.514	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1C(=O)[O-]	ZINC000517442729	600815372	/nfs/dbraw/zinc/81/53/72/600815372.db2.gz	FBFSYWNDHHJJKK-LBPRGKRZSA-N	-2	1	390.486	3.746	20	30		GHEDML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000604307299	862072606	/nfs/dbraw/zinc/07/26/06/862072606.db2.gz	PASYPOMYJCZKDL-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1Cl	ZINC000767739876	872801402	/nfs/dbraw/zinc/80/14/02/872801402.db2.gz	VDPJEBYHXMMYCQ-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000521800225	599974319	/nfs/dbraw/zinc/97/43/19/599974319.db2.gz	ICSNLDKSOVEFNB-LBPRGKRZSA-N	-2	1	376.459	3.580	20	30		GHEDML
N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000438789108	604990317	/nfs/dbraw/zinc/99/03/17/604990317.db2.gz	FDXJEWCPKHOPOG-UHFFFAOYSA-N	-2	1	394.836	3.522	20	30		GHEDML
C=CCCCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000890811539	837197293	/nfs/dbraw/zinc/19/72/93/837197293.db2.gz	ITCPJNMIXNJCDR-UHFFFAOYSA-N	-2	1	394.518	3.683	20	30		GHEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000438755106	852804726	/nfs/dbraw/zinc/80/47/26/852804726.db2.gz	DYDVFMCCYCDOLI-UHFFFAOYSA-N	-2	1	393.852	3.533	20	30		GHEDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1	ZINC000438768916	852825575	/nfs/dbraw/zinc/82/55/75/852825575.db2.gz	DFCAUTLSBCNMBY-UHFFFAOYSA-N	-2	1	398.362	3.638	20	30		GHEDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000484802045	860359884	/nfs/dbraw/zinc/35/98/84/860359884.db2.gz	HDQRYENNWFGORQ-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
N#Cc1cccc2c([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cccc12	ZINC001192140888	918475228	/nfs/dbraw/zinc/47/52/28/918475228.db2.gz	NJCLFBBBPZJIKW-UHFFFAOYSA-N	-2	1	380.425	3.529	20	30		GHEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000485087160	856084237	/nfs/dbraw/zinc/08/42/37/856084237.db2.gz	MWBUMCDEORQOKX-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
COc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1CC(=O)[O-]	ZINC000916546955	889102722	/nfs/dbraw/zinc/10/27/22/889102722.db2.gz	QSTWBMVPHOZEKZ-DJWKRKHSSA-N	-2	1	391.217	3.687	20	30		GHEDML
O=C([O-])c1cc(Cl)cnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1	ZINC001163765630	1026309747	/nfs/dbraw/zinc/30/97/47/1026309747.db2.gz	JKCSADFXBDBEMO-UHFFFAOYSA-N	-2	1	375.690	3.580	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c(C(=O)[O-])c1	ZINC000833751283	605188734	/nfs/dbraw/zinc/18/87/34/605188734.db2.gz	SOUIPWXINUZBGT-CYBMUJFWSA-N	-2	1	390.486	3.888	20	30		GHEDML
O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1	ZINC000673981958	600627138	/nfs/dbraw/zinc/62/71/38/600627138.db2.gz	IWJJJGIQYRIBQW-UHFFFAOYSA-N	-2	1	397.477	3.576	20	30		GHEDML
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833515404	604744605	/nfs/dbraw/zinc/74/46/05/604744605.db2.gz	HAUGXYMAFJYKNJ-LLVKDONJSA-N	-2	1	394.449	3.719	20	30		GHEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1F	ZINC000427246161	852891956	/nfs/dbraw/zinc/89/19/56/852891956.db2.gz	NFKKOPLPUQHSNU-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
N#Cc1c(Cl)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1Cl	ZINC001260216737	1045417493	/nfs/dbraw/zinc/41/74/93/1045417493.db2.gz	YTENFSLCSGYHLF-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)ccc1C(=O)[O-]	ZINC000506638282	600893173	/nfs/dbraw/zinc/89/31/73/600893173.db2.gz	CCQMJEMLPIRCRF-ZDUSSCGKSA-N	-2	1	390.486	3.888	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1	ZINC000833371090	605151072	/nfs/dbraw/zinc/15/10/72/605151072.db2.gz	VZMVNZSZQGWEPH-UHFFFAOYSA-N	-2	1	398.440	3.689	20	30		GHEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1	ZINC000511683499	840516245	/nfs/dbraw/zinc/51/62/45/840516245.db2.gz	TZZNYRVDIFCIIG-UHFFFAOYSA-N	-2	1	375.446	3.874	20	30		GHEDML
O=C([O-])COc1ccc(Br)cc1C(=O)/C=C\c1ccc([O-])c(F)c1	ZINC000794728324	887952158	/nfs/dbraw/zinc/95/21/58/887952158.db2.gz	ONHQMENZLOZZKB-RJRFIUFISA-N	-2	1	395.180	3.653	20	30		GHEDML
CCCCCCCCS(=O)(=O)[N-]c1cc(Cl)c(C)cc1S(=O)(=O)[O-]	ZINC001188012550	915705751	/nfs/dbraw/zinc/70/57/51/915705751.db2.gz	BEPQLOCVQQSRFU-UHFFFAOYSA-N	-2	1	397.946	3.997	20	30		GHEDML
N#Cc1cc(NC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)c([O-])cc1F	ZINC001150475744	1030539979	/nfs/dbraw/zinc/53/99/79/1030539979.db2.gz	NBSBTRFQSKJHDW-UHFFFAOYSA-N	-2	1	391.280	3.516	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c2cccnc12	ZINC001260878759	1045735512	/nfs/dbraw/zinc/73/55/12/1045735512.db2.gz	VDCWEDCEDDXBJE-UHFFFAOYSA-N	-2	1	394.239	3.920	20	30		GHEDML
N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000609219622	599850657	/nfs/dbraw/zinc/85/06/57/599850657.db2.gz	GERFFKMFGNHIKN-UHFFFAOYSA-N	-2	1	394.408	3.850	20	30		GHEDML
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000174673436	836523854	/nfs/dbraw/zinc/52/38/54/836523854.db2.gz	NVMCVPBLKPPZDD-UHFFFAOYSA-N	-2	1	378.837	3.640	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1	ZINC000512785944	845517602	/nfs/dbraw/zinc/51/76/02/845517602.db2.gz	RGRSRPYCXSJCOX-UHFFFAOYSA-N	-2	1	375.446	3.757	20	30		GHEDML
C#Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ccc1F	ZINC001196097278	872877636	/nfs/dbraw/zinc/87/76/36/872877636.db2.gz	ZIXKTVODGVVUGP-UHFFFAOYSA-N	-2	1	395.411	3.973	20	30		GHEDML
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000604307324	862072320	/nfs/dbraw/zinc/07/23/20/862072320.db2.gz	YHIFFWYINVRATP-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
CCOc1ccc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)cc1C(=O)[O-]	ZINC001192649034	870556362	/nfs/dbraw/zinc/55/63/62/870556362.db2.gz	NWCVNGHZVJAJBQ-UHFFFAOYSA-N	-2	1	396.424	3.609	20	30		GHEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1	ZINC000767732886	872809718	/nfs/dbraw/zinc/80/97/18/872809718.db2.gz	IWYVANCFCWLZSA-UHFFFAOYSA-N	-2	1	385.800	3.543	20	30		GHEDML
C#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1F	ZINC001196096994	872877764	/nfs/dbraw/zinc/87/77/64/872877764.db2.gz	KNNHUISMSSUDDX-UHFFFAOYSA-N	-2	1	395.411	3.973	20	30		GHEDML
N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000475802945	884000346	/nfs/dbraw/zinc/00/03/46/884000346.db2.gz	HAMWOHKMYSGROA-UHFFFAOYSA-N	-2	1	385.228	3.558	20	30		GHEDML
CCCc1cc(C#N)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1Cl	ZINC001157156363	1033435927	/nfs/dbraw/zinc/43/59/27/1033435927.db2.gz	ACVQYULOEZIDIV-UHFFFAOYSA-N	-2	1	391.795	3.644	20	30		GHEDML
Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1	ZINC001260876656	1045732439	/nfs/dbraw/zinc/73/24/39/1045732439.db2.gz	KQCWFXRREFVLJD-UHFFFAOYSA-N	-2	1	375.208	3.819	20	30		GHEDML
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000737030365	601117643	/nfs/dbraw/zinc/11/76/43/601117643.db2.gz	SWPFVMAFCCTAJT-UHFFFAOYSA-N	-2	1	393.852	3.533	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(C(=O)[O-])c1	ZINC000833751097	605189257	/nfs/dbraw/zinc/18/92/57/605189257.db2.gz	ODNPJAYBIMBOHA-CYBMUJFWSA-N	-2	1	390.486	3.746	20	30		GHEDML
N#Cc1ccc(-c2ccc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)cc2)o1	ZINC001167936686	844777334	/nfs/dbraw/zinc/77/73/34/844777334.db2.gz	MGFQDUPKSDQMNY-UHFFFAOYSA-N	-2	1	380.340	3.903	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1C(=O)[O-]	ZINC000512761614	845361019	/nfs/dbraw/zinc/36/10/19/845361019.db2.gz	FHSPEICPJKGHOU-UHFFFAOYSA-N	-2	1	398.362	3.693	20	30		GHEDML
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1Br	ZINC000742429649	867301508	/nfs/dbraw/zinc/30/15/08/867301508.db2.gz	UQGYDMPSSUSYCA-LREOWRDNSA-N	-2	1	377.190	3.514	20	30		GHEDML
CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1	ZINC000566047618	896071894	/nfs/dbraw/zinc/07/18/94/896071894.db2.gz	CZVWWNDAHAXVFI-UHFFFAOYSA-N	-2	1	388.445	3.859	20	30		GHEDML
N#Cc1cccc2c([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cccc12	ZINC001188312510	915879823	/nfs/dbraw/zinc/87/98/23/915879823.db2.gz	PXPVYFLATLNSSK-UHFFFAOYSA-N	-2	1	386.816	3.864	20	30		GHEDML
O=C([O-])c1cc(NN=Cc2cc(O)cc(Br)c2[O-])ccc1Cl	ZINC000755467669	1023260370	/nfs/dbraw/zinc/26/03/70/1023260370.db2.gz	SFKJQYAPNPIEKE-UHFFFAOYSA-N	-2	1	385.601	3.658	20	30		GHEDML
CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Cl)c(Cl)c2[O-])o1	ZINC000735451266	598493800	/nfs/dbraw/zinc/49/38/00/598493800.db2.gz	WBLKXHJHTLSVLV-UHFFFAOYSA-N	-2	1	396.238	3.827	20	30		GHEDML
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833515405	604744462	/nfs/dbraw/zinc/74/44/62/604744462.db2.gz	HAUGXYMAFJYKNJ-NSHDSACASA-N	-2	1	394.449	3.719	20	30		GHEDML
C=CCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000436695380	852210378	/nfs/dbraw/zinc/21/03/78/852210378.db2.gz	DORKPMUTKACTNJ-ZDUSSCGKSA-N	-2	1	394.518	3.729	20	30		GHEDML
N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1	ZINC001198789635	874610101	/nfs/dbraw/zinc/61/01/01/874610101.db2.gz	HEVNNKUCEKRBOK-UHFFFAOYSA-N	-2	1	378.409	3.724	20	30		GHEDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000531436873	879849368	/nfs/dbraw/zinc/84/93/68/879849368.db2.gz	FWTLQPYBOBJYEU-UHFFFAOYSA-N	-2	1	398.362	3.638	20	30		GHEDML
C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1	ZINC001588872976	984443742	/nfs/dbraw/zinc/44/37/42/984443742.db2.gz	WRTCIGKXMRJHSC-UHFFFAOYSA-N	-2	1	381.837	3.712	20	30		GHEDML
N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000833066258	601829745	/nfs/dbraw/zinc/82/97/45/601829745.db2.gz	ZNEKSDJJIIWEHT-UHFFFAOYSA-N	-2	1	394.836	3.522	20	30		GHEDML
O=C([O-])c1ccoc1COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1	ZINC000730948775	861365521	/nfs/dbraw/zinc/36/55/21/861365521.db2.gz	LBMAMCFEICMZNJ-GIJQJNRQSA-N	-2	1	378.336	3.879	20	30		GHEDML
N#CCCN(Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC(F)(F)F	ZINC000176047919	843620025	/nfs/dbraw/zinc/62/00/25/843620025.db2.gz	BJVXYMWHHZZIRR-UHFFFAOYSA-N	-2	1	378.350	3.607	20	30		GHEDML
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1	ZINC000571136266	853763077	/nfs/dbraw/zinc/76/30/77/853763077.db2.gz	FKSYQXLIHONLGO-UHFFFAOYSA-N	-2	1	394.474	3.605	20	30		GHEDML
C#CCCN(Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC(F)(F)F	ZINC000767497476	872554753	/nfs/dbraw/zinc/55/47/53/872554753.db2.gz	BGYXJUYQEJBQMH-UHFFFAOYSA-N	-2	1	377.362	3.716	20	30		GHEDML
CCCCCCCCCCS(=O)(=O)[N-]c1cccc2c(=O)[nH][n-]c(=O)c12	ZINC001201836310	875897366	/nfs/dbraw/zinc/89/73/66/875897366.db2.gz	WXLJBYMTZVCFDB-UHFFFAOYSA-N	-2	1	381.498	3.923	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(Cl)c1	ZINC001259212824	960665475	/nfs/dbraw/zinc/66/54/75/960665475.db2.gz	ZSMGQAWFLYXFPK-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
CCCCCCCCCNC(=S)NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001200378231	1066035500	/nfs/dbraw/zinc/03/55/00/1066035500.db2.gz	OWNDLQJRMRVGJF-UHFFFAOYSA-N	-2	1	398.509	3.874	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1	ZINC000589439118	854877266	/nfs/dbraw/zinc/87/72/66/854877266.db2.gz	OZNYJELJJRXGMI-UHFFFAOYSA-N	-2	1	379.409	3.588	20	30		GHEDML
C=CC(C)(C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001454014975	1061574481	/nfs/dbraw/zinc/57/44/81/1061574481.db2.gz	QFEPFUUAXXBWEY-UHFFFAOYSA-N	-2	1	394.518	3.587	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c(C)c1C(=O)[O-]	ZINC000512742183	845280632	/nfs/dbraw/zinc/28/06/32/845280632.db2.gz	IKPNTTDZTUHHCU-UHFFFAOYSA-N	-2	1	390.486	3.808	20	30		GHEDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1	ZINC000593211407	857402159	/nfs/dbraw/zinc/40/21/59/857402159.db2.gz	VAJWDBWDDUFREC-CQSZACIVSA-N	-2	1	386.473	3.867	20	30		GHEDML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1nc(C(F)(F)F)nc3ccccc31)O2	ZINC000915954238	888572214	/nfs/dbraw/zinc/57/22/14/888572214.db2.gz	PWXBBIHJQKZQQA-UHFFFAOYSA-N	-2	1	388.305	3.663	20	30		GHEDML
N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC001260228491	1045420244	/nfs/dbraw/zinc/42/02/44/1045420244.db2.gz	HGJKLZUFAOMWRH-UHFFFAOYSA-N	-2	1	378.409	3.724	20	30		GHEDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000548830964	834875469	/nfs/dbraw/zinc/87/54/69/834875469.db2.gz	JZCJQWPXSFAHBW-UHFFFAOYSA-N	-2	1	398.362	3.693	20	30		GHEDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000181768562	841665007	/nfs/dbraw/zinc/66/50/07/841665007.db2.gz	UVCBPGPLQZZOLN-LLVKDONJSA-N	-2	1	378.837	3.591	20	30		GHEDML
O=C([O-])COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1Br	ZINC000742429653	867301707	/nfs/dbraw/zinc/30/17/07/867301707.db2.gz	UQGYDMPSSUSYCA-XFSBKJJWSA-N	-2	1	377.190	3.514	20	30		GHEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1	ZINC000479433536	867748020	/nfs/dbraw/zinc/74/80/20/867748020.db2.gz	CAZBGIPPIDUXFJ-UHFFFAOYSA-N	-2	1	392.864	3.949	20	30		GHEDML
N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000619463249	872659060	/nfs/dbraw/zinc/65/90/60/872659060.db2.gz	YNAHVMDLULZKDF-UHFFFAOYSA-N	-2	1	385.228	3.558	20	30		GHEDML
C#C[C@@H](C)Oc1c(NN=C2C=CC(=O)C=C2[O-])cc(Cl)cc1S(=O)(=O)[O-]	ZINC001231193665	1034455091	/nfs/dbraw/zinc/45/50/91/1034455091.db2.gz	ZVRZCVYUPGNBPM-CUUZCIBOSA-N	-2	1	396.808	3.814	20	30		GHEDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000466294236	599974182	/nfs/dbraw/zinc/97/41/82/599974182.db2.gz	WVOIVFSUWPTCJO-ZDUSSCGKSA-N	-2	1	390.486	3.888	20	30		GHEDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC000479243232	867400051	/nfs/dbraw/zinc/40/00/51/867400051.db2.gz	MNZRZDRPEFEHJA-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1	ZINC000325297198	868278392	/nfs/dbraw/zinc/27/83/92/868278392.db2.gz	SWDRSWSFQVQDPK-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-]	ZINC000463778621	872556049	/nfs/dbraw/zinc/55/60/49/872556049.db2.gz	ONDDUWHNPOGFNE-ZDUSSCGKSA-N	-2	1	392.864	3.666	20	30		GHEDML
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1)C(=O)[O-]	ZINC000463783396	872596541	/nfs/dbraw/zinc/59/65/41/872596541.db2.gz	PSPONUFCCUXUSS-CYBMUJFWSA-N	-2	1	392.864	3.666	20	30		GHEDML
N#Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC001192429515	870358107	/nfs/dbraw/zinc/35/81/07/870358107.db2.gz	FMGLSUREWULQET-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1	ZINC001196091238	872874280	/nfs/dbraw/zinc/87/42/80/872874280.db2.gz	XJHHVNPRLIUMPU-UHFFFAOYSA-N	-2	1	396.399	3.863	20	30		GHEDML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2	ZINC000915940195	888580505	/nfs/dbraw/zinc/58/05/05/888580505.db2.gz	YHSGZSWIKRZDCD-UHFFFAOYSA-N	-2	1	381.266	3.628	20	30		GHEDML
C=CCCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001148688104	904154536	/nfs/dbraw/zinc/15/45/36/904154536.db2.gz	PYXPSATVSKJZLE-UHFFFAOYSA-N	-2	1	394.518	3.729	20	30		GHEDML
O=C([O-])Cc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1	ZINC001174951836	907308268	/nfs/dbraw/zinc/30/82/68/907308268.db2.gz	OXLMZGDOBUCRAG-RGVLZGJSSA-N	-2	1	380.429	3.592	20	30		GHEDML
COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(Br)c1[O-]	ZINC000759091121	930270325	/nfs/dbraw/zinc/27/03/25/930270325.db2.gz	PAXHQHGQNLMELU-RQOWECAXSA-N	-2	1	394.177	3.673	20	30		GHEDML
COc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1C(=O)[O-]	ZINC001209900732	1027268794	/nfs/dbraw/zinc/26/87/94/1027268794.db2.gz	GXHVZZZBWCECEQ-KEBDBYFISA-N	-2	1	396.428	3.672	20	30		GHEDML
COc1cc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(Br)c1[O-]	ZINC000136496333	900689858	/nfs/dbraw/zinc/68/98/58/900689858.db2.gz	ODRXEENQXQWXIX-DUXPYHPUSA-N	-2	1	394.177	3.673	20	30		GHEDML
CCCCCCCCS(=O)(=O)[N-]c1ccc(Cl)cc1S(=O)(=O)[O-]	ZINC001188012874	915705769	/nfs/dbraw/zinc/70/57/69/915705769.db2.gz	HOASCGXXTIBTKD-UHFFFAOYSA-N	-2	1	383.919	3.689	20	30		GHEDML
O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)c1	ZINC000562227655	934770404	/nfs/dbraw/zinc/77/04/04/934770404.db2.gz	HFESNCLYECUIIC-UHFFFAOYSA-N	-2	1	391.448	3.514	20	30		GHEDML
O=C([O-])c1ccoc1COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1	ZINC000730947593	605100324	/nfs/dbraw/zinc/10/03/24/605100324.db2.gz	YQKUCXCOFHETFU-UHFFFAOYSA-N	-2	1	380.356	3.701	20	30		GHEDML
O=C([O-])c1ccoc1COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1	ZINC000730948777	861365582	/nfs/dbraw/zinc/36/55/82/861365582.db2.gz	LBMAMCFEICMZNJ-NVMNQCDNSA-N	-2	1	378.336	3.879	20	30		GHEDML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC001196065657	872836956	/nfs/dbraw/zinc/83/69/56/872836956.db2.gz	DJMYZWORKPIEDF-UHFFFAOYSA-N	-2	1	378.409	3.724	20	30		GHEDML
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001260868672	1045725521	/nfs/dbraw/zinc/72/55/21/1045725521.db2.gz	DVKZBZBUEIVOOJ-UHFFFAOYSA-N	-2	1	386.260	3.696	20	30		GHEDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000181768545	841665240	/nfs/dbraw/zinc/66/52/40/841665240.db2.gz	UVCBPGPLQZZOLN-NSHDSACASA-N	-2	1	378.837	3.591	20	30		GHEDML
C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1	ZINC001196089088	872872793	/nfs/dbraw/zinc/87/27/93/872872793.db2.gz	GSQOLFLIGUCYSU-UHFFFAOYSA-N	-2	1	377.421	3.834	20	30		GHEDML
O=C(Cc1ccc([S-])cc1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1	ZINC001183186158	912335900	/nfs/dbraw/zinc/33/59/00/912335900.db2.gz	GEFNCDSLLMTANY-RGVLZGJSSA-N	-2	1	396.497	3.691	20	30		GHEDML
N#Cc1c(Cl)c2ccccc2nc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001157158943	1033437592	/nfs/dbraw/zinc/43/75/92/1033437592.db2.gz	FGQDLYPJFYJRAM-UHFFFAOYSA-N	-2	1	399.774	3.845	20	30		GHEDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000477426026	599908089	/nfs/dbraw/zinc/90/80/89/599908089.db2.gz	USMFGXCHMOVPGA-GFCCVEGCSA-N	-2	1	390.486	3.746	20	30		GHEDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000438774153	852831994	/nfs/dbraw/zinc/83/19/94/852831994.db2.gz	IZKVNZUXWIHKII-UHFFFAOYSA-N	-2	1	398.362	3.693	20	30		GHEDML
C=CCCC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000776016583	875136589	/nfs/dbraw/zinc/13/65/89/875136589.db2.gz	RCMOJBZFCBXNSK-CYBMUJFWSA-N	-2	1	394.518	3.729	20	30		GHEDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2(C#N)CCCC2)cc1	ZINC001185909519	914170212	/nfs/dbraw/zinc/17/02/12/914170212.db2.gz	ZEUNOJOPUCSDEA-UHFFFAOYSA-N	-2	1	384.457	3.829	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc(C(=O)[O-])c1Cl	ZINC000759096447	930272362	/nfs/dbraw/zinc/27/23/62/930272362.db2.gz	YDLPGUYZRSFSQR-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl	ZINC000799927964	933173051	/nfs/dbraw/zinc/17/30/51/933173051.db2.gz	MDIBQTMPXPQPCT-UHFFFAOYSA-N	-2	1	395.864	3.966	20	30		GHEDML
Cc1c(Cl)c(Cl)nc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1C#N	ZINC001157155844	1033436266	/nfs/dbraw/zinc/43/62/66/1033436266.db2.gz	FKKZNOHLZKCRQU-UHFFFAOYSA-N	-2	1	398.186	3.653	20	30		GHEDML
CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1	ZINC001260868699	1045724526	/nfs/dbraw/zinc/72/45/26/1045724526.db2.gz	FXTOKHAPLBDUPI-UHFFFAOYSA-N	-2	1	388.276	3.928	20	30		GHEDML
CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000440825747	868809863	/nfs/dbraw/zinc/80/98/63/868809863.db2.gz	LJLUSILXQVAVED-UHFFFAOYSA-N	-2	1	398.362	3.638	20	30		GHEDML
O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cccc([S-])c1	ZINC001186130668	914319717	/nfs/dbraw/zinc/31/97/17/914319717.db2.gz	VQMCIHUYAQEPIR-VXLYETTFSA-N	-2	1	382.470	3.763	20	30		GHEDML
CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000739445869	602654293	/nfs/dbraw/zinc/65/42/93/602654293.db2.gz	RYWZVTMDVFKNRV-UHFFFAOYSA-N	-2	1	393.852	3.512	20	30		GHEDML
N#CCc1ccc(C(F)(F)F)cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167940386	844873256	/nfs/dbraw/zinc/87/32/56/844873256.db2.gz	VNFAGHZLGQNFTB-UHFFFAOYSA-N	-2	1	396.305	3.856	20	30		GHEDML
N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ccc1F	ZINC001196088745	872872665	/nfs/dbraw/zinc/87/26/65/872872665.db2.gz	DVIGXXINWPRTBE-UHFFFAOYSA-N	-2	1	396.399	3.863	20	30		GHEDML
N#CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC001196090938	872874312	/nfs/dbraw/zinc/87/43/12/872874312.db2.gz	WMYCRVKOYIHLDB-UHFFFAOYSA-N	-2	1	392.436	3.919	20	30		GHEDML
C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC001196096265	872876794	/nfs/dbraw/zinc/87/67/94/872876794.db2.gz	FTSXXRJXMLWOOE-UHFFFAOYSA-N	-2	1	377.421	3.834	20	30		GHEDML
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(C#N)c3)s2)cs1	ZINC001259982841	1045340584	/nfs/dbraw/zinc/34/05/84/1045340584.db2.gz	DVGILMPQFVVIEO-UHFFFAOYSA-N	-2	1	377.472	3.558	20	30		GHEDML
N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC001260190713	1045406075	/nfs/dbraw/zinc/40/60/75/1045406075.db2.gz	BNLZMMUPCWPUCS-UHFFFAOYSA-N	-2	1	378.409	3.724	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)ccc1C(=O)[O-]	ZINC000506625587	600892799	/nfs/dbraw/zinc/89/27/99/600892799.db2.gz	UOJZMGWMCBHHOW-GFCCVEGCSA-N	-2	1	390.486	3.746	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1	ZINC000589439105	854877080	/nfs/dbraw/zinc/87/70/80/854877080.db2.gz	NZUIXWPEQPSTQE-UHFFFAOYSA-N	-2	1	387.457	3.629	20	30		GHEDML
C=CCCC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1	ZINC001153523894	1031633223	/nfs/dbraw/zinc/63/32/23/1031633223.db2.gz	NQYNZCRGULSZBV-HNNXBMFYSA-N	-2	1	378.432	3.572	20	30		GHEDML
CC1(C)CCCc2cc(C#N)c(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)nc21	ZINC001157166280	1033442405	/nfs/dbraw/zinc/44/24/05/1033442405.db2.gz	ZAKMQEVRVMTCFC-UHFFFAOYSA-N	-2	1	397.415	3.652	20	30		GHEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000443420565	858658919	/nfs/dbraw/zinc/65/89/19/858658919.db2.gz	ZRSBEJLCYGOZPG-UHFFFAOYSA-N	-2	1	390.417	3.521	20	30		GHEDML
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1)C(=O)[O-]	ZINC000463783397	872596828	/nfs/dbraw/zinc/59/68/28/872596828.db2.gz	PSPONUFCCUXUSS-ZDUSSCGKSA-N	-2	1	392.864	3.666	20	30		GHEDML
Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)cc1C#N	ZINC001201323044	875633218	/nfs/dbraw/zinc/63/32/18/875633218.db2.gz	XRJYYBPBVIAHIE-SFHVURJKSA-N	-2	1	386.473	3.882	20	30		GHEDML
COc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1CC(=O)[O-]	ZINC000916546956	889102778	/nfs/dbraw/zinc/10/27/78/889102778.db2.gz	QSTWBMVPHOZEKZ-GORDUTHDSA-N	-2	1	391.217	3.687	20	30		GHEDML
C=CCC(C)(C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000817457616	895606655	/nfs/dbraw/zinc/60/66/55/895606655.db2.gz	VMXOHRYRIHMLQT-UHFFFAOYSA-N	-2	1	394.518	3.587	20	30		GHEDML
O=C([O-])Cc1ccc(F)c(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1	ZINC001216678779	1029728264	/nfs/dbraw/zinc/72/82/64/1029728264.db2.gz	AXFRYIJOFOSHGC-UFFVCSGVSA-N	-2	1	398.419	3.731	20	30		GHEDML
O=C([O-])CCC(=O)Nc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1	ZINC001244040222	1036363854	/nfs/dbraw/zinc/36/38/54/1036363854.db2.gz	LCCZCMHRKKZWDB-LSHDLFTRSA-N	-2	1	380.322	3.984	20	30		GHEDML
N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1F	ZINC000728186498	834695148	/nfs/dbraw/zinc/69/51/48/834695148.db2.gz	SCOGDPPMWNJNPK-UHFFFAOYSA-N	-2	1	389.191	3.503	20	30		GHEDML
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000730997674	861397847	/nfs/dbraw/zinc/39/78/47/861397847.db2.gz	OJHWUIWOHRLMCE-UHFFFAOYSA-N	-2	1	396.877	3.845	20	30		GHEDML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1C#N	ZINC000435699707	850780629	/nfs/dbraw/zinc/78/06/29/850780629.db2.gz	ZZQCZXBJBNZKOQ-UHFFFAOYSA-N	-2	1	385.228	3.673	20	30		GHEDML
C=CCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000436695379	852210663	/nfs/dbraw/zinc/21/06/63/852210663.db2.gz	DORKPMUTKACTNJ-CYBMUJFWSA-N	-2	1	394.518	3.729	20	30		GHEDML
N#Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)c([O-])cc1F	ZINC001191511520	918036034	/nfs/dbraw/zinc/03/60/34/918036034.db2.gz	WYJYLGGONNFQCC-UHFFFAOYSA-N	-2	1	376.343	3.592	20	30		GHEDML
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000469082110	1016436059	/nfs/dbraw/zinc/43/60/59/1016436059.db2.gz	VGOWLPQRRCHPTE-UHFFFAOYSA-N	-2	1	387.461	3.612	20	30		GHEDML
C#C[C@H](C)Oc1c(NN=C2C=CC(=O)C=C2[O-])cc(Cl)cc1S(=O)(=O)[O-]	ZINC001231193664	1034454902	/nfs/dbraw/zinc/45/49/02/1034454902.db2.gz	ZVRZCVYUPGNBPM-AFYZYGBZSA-N	-2	1	396.808	3.814	20	30		GHEDML
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1	ZINC000603974607	861521806	/nfs/dbraw/zinc/52/18/06/861521806.db2.gz	WRDGMMNSAZBEJT-UHFFFAOYSA-N	-2	1	378.837	3.834	20	30		GHEDML
CCCCCCC[C@H](C)NC(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001192943897	870777835	/nfs/dbraw/zinc/77/78/35/870777835.db2.gz	IBISWFAETDBASH-HNNXBMFYSA-N	-2	1	382.441	3.707	20	30		GHEDML
N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)c1	ZINC000739139964	599975139	/nfs/dbraw/zinc/97/51/39/599975139.db2.gz	NGBXNFYWFUXARZ-UHFFFAOYSA-N	-2	1	394.408	3.850	20	30		GHEDML
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(C(F)(F)F)c1	ZINC000808114418	886026315	/nfs/dbraw/zinc/02/63/15/886026315.db2.gz	XJVRZYPTDAMEPM-UHFFFAOYSA-N	-2	1	394.733	3.876	20	30		GHEDML
N#Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])ccc1Cl	ZINC000917844814	892675952	/nfs/dbraw/zinc/67/59/52/892675952.db2.gz	AWQJLEDLBKBCQS-UHFFFAOYSA-N	-2	1	386.816	3.864	20	30		GHEDML
CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC001188312351	915879270	/nfs/dbraw/zinc/87/92/70/915879270.db2.gz	MTISDMOQNKAMER-UHFFFAOYSA-N	-2	1	378.837	3.640	20	30		GHEDML
N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC000739073577	600891160	/nfs/dbraw/zinc/89/11/60/600891160.db2.gz	VNVOMYHDMSQHFC-UHFFFAOYSA-N	-2	1	394.836	3.522	20	30		GHEDML
O=C([O-])c1ccoc1COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1	ZINC000757467216	929712749	/nfs/dbraw/zinc/71/27/49/929712749.db2.gz	BVSMJDKSOMOGBP-XVNBXDOJSA-N	-2	1	380.352	3.864	20	30		GHEDML
Cc1ccc([O-])c(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(Br)c2)c1	ZINC000757467263	929712987	/nfs/dbraw/zinc/71/29/87/929712987.db2.gz	CXTYQABDCLHAGR-ZZXKWVIFSA-N	-2	1	391.217	3.823	20	30		GHEDML
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC001589016512	984995807	/nfs/dbraw/zinc/99/58/07/984995807.db2.gz	SWJXJXXNVMJGBN-LLVKDONJSA-N	-2	1	376.796	3.726	20	30		GHEDML
C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000730998031	601331519	/nfs/dbraw/zinc/33/15/19/601331519.db2.gz	ZKLOZMBOLPGXAY-LLVKDONJSA-N	-2	1	394.449	3.576	20	30		GHEDML
O=C([O-])C(=O)/C(=C/c1ccc([O-])c(Br)c1)c1ccc2ccccc2n1	ZINC000916138128	888760469	/nfs/dbraw/zinc/76/04/69/888760469.db2.gz	QGMGSRLGWHDFPF-UKTHLTGXSA-N	-2	1	398.212	3.897	20	30		GHEDML
N#Cc1ccc(-c2cccs2)nc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001157158816	1033437955	/nfs/dbraw/zinc/43/79/55/1033437955.db2.gz	BOSOVEHZPNJGPX-UHFFFAOYSA-N	-2	1	397.396	3.766	20	30		GHEDML
C=CCOc1cccc([N-]S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)c1	ZINC001463396805	1064311697	/nfs/dbraw/zinc/31/16/97/1064311697.db2.gz	PYDCRPMCAKPPAD-UHFFFAOYSA-N	-2	1	389.351	3.656	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000727360873	860053180	/nfs/dbraw/zinc/05/31/80/860053180.db2.gz	DZBZGSOGYHQNOY-UHFFFAOYSA-N	-2	1	381.837	3.794	20	30		GHEDML
N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC001196096430	872876278	/nfs/dbraw/zinc/87/62/78/872876278.db2.gz	IOANEWWJIINKQL-UHFFFAOYSA-N	-2	1	392.436	3.919	20	30		GHEDML
N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)cc1	ZINC001198729994	874585106	/nfs/dbraw/zinc/58/51/06/874585106.db2.gz	CXAGUQGSINPONK-UHFFFAOYSA-N	-2	1	378.409	3.724	20	30		GHEDML
CCCCCCN(O)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001161826688	1035310007	/nfs/dbraw/zinc/31/00/07/1035310007.db2.gz	JUWIWHLALGAMGX-UHFFFAOYSA-N	-2	1	398.506	3.666	20	30		GHEDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000466286337	599838425	/nfs/dbraw/zinc/83/84/25/599838425.db2.gz	JHIKWEWOJYAMGM-LBPRGKRZSA-N	-2	1	390.486	3.746	20	30		GHEDML
C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1)C(=O)[O-]	ZINC000593210726	857400124	/nfs/dbraw/zinc/40/01/24/857400124.db2.gz	MLIIFNNPHFXLFZ-AWEZNQCLSA-N	-2	1	386.473	3.552	20	30		GHEDML
CCc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc(CC)c1C#N	ZINC001192141850	918476954	/nfs/dbraw/zinc/47/69/54/918476954.db2.gz	JPDDYJBFTYHSBM-UHFFFAOYSA-N	-2	1	386.473	3.501	20	30		GHEDML
CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1	ZINC001259418644	1045137793	/nfs/dbraw/zinc/13/77/93/1045137793.db2.gz	JKNGXFCIMVDCEK-QGZVFWFLSA-N	-2	1	390.436	3.712	20	30		GHEDML
CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1	ZINC001259418643	1045138020	/nfs/dbraw/zinc/13/80/20/1045138020.db2.gz	JKNGXFCIMVDCEK-KRWDZBQOSA-N	-2	1	390.436	3.712	20	30		GHEDML
N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2)cc1	ZINC000609219790	599851042	/nfs/dbraw/zinc/85/10/42/599851042.db2.gz	XZWINQOGBPRYNQ-UHFFFAOYSA-N	-2	1	394.408	3.850	20	30		GHEDML
COc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(Br)c1[O-]	ZINC000254999420	835666895	/nfs/dbraw/zinc/66/68/95/835666895.db2.gz	ODRXEENQXQWXIX-RQOWECAXSA-N	-2	1	394.177	3.673	20	30		GHEDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000548763659	848262867	/nfs/dbraw/zinc/26/28/67/848262867.db2.gz	BNDHMHNUAAUKEO-UHFFFAOYSA-N	-2	1	398.362	3.638	20	30		GHEDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1	ZINC000593211406	857401770	/nfs/dbraw/zinc/40/17/70/857401770.db2.gz	VAJWDBWDDUFREC-AWEZNQCLSA-N	-2	1	386.473	3.867	20	30		GHEDML
C[C@H](Oc1cccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1)C(=O)[O-]	ZINC000745020157	869240884	/nfs/dbraw/zinc/24/08/84/869240884.db2.gz	DBEHEVUAUWNBBW-XOIDGJRKSA-N	-2	1	391.217	3.903	20	30		GHEDML
N#Cc1c(F)cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1F	ZINC001260878448	1045736175	/nfs/dbraw/zinc/73/61/75/1045736175.db2.gz	RXQGDDYQMIXMHM-UHFFFAOYSA-N	-2	1	379.171	3.650	20	30		GHEDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000518649833	599838371	/nfs/dbraw/zinc/83/83/71/599838371.db2.gz	VDIPLWZHUPXTTE-GFCCVEGCSA-N	-2	1	390.486	3.746	20	30		GHEDML
C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000730998035	601331508	/nfs/dbraw/zinc/33/15/08/601331508.db2.gz	ZKLOZMBOLPGXAY-NSHDSACASA-N	-2	1	394.449	3.576	20	30		GHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1	ZINC000833369856	605166989	/nfs/dbraw/zinc/16/69/89/605166989.db2.gz	GVEVBTBLEMGZLJ-UHFFFAOYSA-N	-2	1	381.837	3.794	20	30		GHEDML