smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000740136191	599826657	/nfs/dbraw/zinc/82/66/57/599826657.db2.gz	RRWJNLPDEGNJPS-UHFFFAOYSA-N	-2	1	371.754	2.243	20	10		FECDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(OC)c1C(=O)[O-]	ZINC000833734517	604861858	/nfs/dbraw/zinc/86/18/58/604861858.db2.gz	KCOOETJSKLXXQG-UHFFFAOYSA-N	-2	1	367.379	2.217	20	10		FECDML
CO[C@@H](C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000276081266	550576595	/nfs/dbraw/zinc/57/65/95/550576595.db2.gz	UQMXGFATPVABFQ-JTQLQIEISA-N	-2	1	370.452	2.019	20	10		FECDML
C[C@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-]	ZINC000828455745	601816558	/nfs/dbraw/zinc/81/65/58/601816558.db2.gz	FWIJIJQUDNNNGM-SWLSCSKDSA-N	-2	1	355.390	2.481	20	10		FECDML
C[C@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-]	ZINC000828455745	601816559	/nfs/dbraw/zinc/81/65/59/601816559.db2.gz	FWIJIJQUDNNNGM-SWLSCSKDSA-N	-2	1	355.390	2.481	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000013463966	670006802	/nfs/dbraw/zinc/00/68/02/670006802.db2.gz	JJFZIOFKUIJOGO-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
Cc1cc(Br)c([O-])c(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1	ZINC000833897330	605913030	/nfs/dbraw/zinc/91/30/30/605913030.db2.gz	IIDWFQLLKYCGKT-ZWNOBZJWSA-N	-2	1	373.247	2.320	20	10		FECDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1	ZINC000776748701	681433159	/nfs/dbraw/zinc/43/31/59/681433159.db2.gz	CQEVMMWUSYNRPK-UHFFFAOYSA-N	-2	1	372.742	2.453	20	10		FECDML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-]	ZINC000738378809	600024362	/nfs/dbraw/zinc/02/43/62/600024362.db2.gz	JXAPOXQKYRFBPR-YBEGLDIGSA-N	-2	1	366.373	2.228	20	10		FECDML
O=C(NCC(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000175262553	672366675	/nfs/dbraw/zinc/36/66/75/672366675.db2.gz	QCZIJWYQFURQLP-UHFFFAOYSA-N	-2	1	362.379	2.249	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCCO1	ZINC000276110080	550576747	/nfs/dbraw/zinc/57/67/47/550576747.db2.gz	ZVHFMEIYNBSDKF-UHFFFAOYSA-N	-2	1	368.436	2.422	20	10		FECDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(F)c1F	ZINC000751141150	601828450	/nfs/dbraw/zinc/82/84/50/601828450.db2.gz	AWVNDULLHCRVHQ-UHFFFAOYSA-N	-2	1	357.290	2.193	20	10		FECDML
O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1[O-]	ZINC000753018147	680270927	/nfs/dbraw/zinc/27/09/27/680270927.db2.gz	UDGYYQWTCVUXSO-UHFFFAOYSA-N	-2	1	370.312	2.191	20	10		FECDML
O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753018594	680271212	/nfs/dbraw/zinc/27/12/12/680271212.db2.gz	XPDFXDAWFOYFEM-UHFFFAOYSA-N	-3	1	365.260	2.448	20	10		FECDML
COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1NC(C)=O	ZINC000753022450	680271266	/nfs/dbraw/zinc/27/12/66/680271266.db2.gz	WPAVOBZCCLMENB-UHFFFAOYSA-N	-2	1	372.349	2.438	20	10		FECDML
CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628420	604611650	/nfs/dbraw/zinc/61/16/50/604611650.db2.gz	PKMWXDPCHCJUSG-XPTSAGLGSA-N	-2	1	356.806	2.105	20	10		FECDML
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c([N+](=O)[O-])c1	ZINC000758172049	680559575	/nfs/dbraw/zinc/55/95/75/680559575.db2.gz	ZGBPIDNHNXELLU-UHFFFAOYSA-N	-2	1	357.275	2.149	20	10		FECDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000766048102	680864450	/nfs/dbraw/zinc/86/44/50/680864450.db2.gz	XPOJMZASWCCQHI-UHFFFAOYSA-N	-2	1	366.351	2.318	20	10		FECDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286041	681291786	/nfs/dbraw/zinc/29/17/86/681291786.db2.gz	LAVOAOJCDIJNTF-UHFFFAOYSA-N	-2	1	353.312	2.318	20	10		FECDML
O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1cc(F)cc(F)c1[O-]	ZINC000753019965	680271193	/nfs/dbraw/zinc/27/11/93/680271193.db2.gz	ZUDCCJIXRVNFNJ-UHFFFAOYSA-N	-2	1	352.322	2.256	20	10		FECDML
CC(C)[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC000848588841	681585024	/nfs/dbraw/zinc/58/50/24/681585024.db2.gz	AOZJWQIBMXBBOU-SNVBAGLBSA-N	-2	1	359.220	2.311	20	10		FECDML
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775289543	681293127	/nfs/dbraw/zinc/29/31/27/681293127.db2.gz	VTNDDKKBWDHYJU-UHFFFAOYSA-N	-2	1	366.351	2.278	20	10		FECDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000790411693	682674748	/nfs/dbraw/zinc/67/47/48/682674748.db2.gz	MOPSLBKVRIZNHW-UHFFFAOYSA-N	-2	1	354.340	2.206	20	10		FECDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000792702318	682828693	/nfs/dbraw/zinc/82/86/93/682828693.db2.gz	QMIFIJMGJCTAHD-UHFFFAOYSA-N	-2	1	369.420	2.378	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000013464084	670006546	/nfs/dbraw/zinc/00/65/46/670006546.db2.gz	YPMPJPQUORASSX-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
O=C(NCCCF)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000154089749	672210265	/nfs/dbraw/zinc/21/02/65/672210265.db2.gz	XUKNHBPEJOALMC-UHFFFAOYSA-N	-2	1	358.416	2.344	20	10		FECDML
COC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748009897	679920651	/nfs/dbraw/zinc/92/06/51/679920651.db2.gz	JMPJLQRGHQXFOZ-SNVBAGLBSA-N	-2	1	370.452	2.019	20	10		FECDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776433556	681391498	/nfs/dbraw/zinc/39/14/98/681391498.db2.gz	VQGYHGFYXQDBOC-UHFFFAOYSA-N	-2	1	366.351	2.362	20	10		FECDML
CC1(F)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000792526652	682818531	/nfs/dbraw/zinc/81/85/31/682818531.db2.gz	QLLDRKZXVFECDX-UHFFFAOYSA-N	-2	1	370.427	2.439	20	10		FECDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cnn(C2CCOCC2)c1	ZINC000182492461	547502345	/nfs/dbraw/zinc/50/23/45/547502345.db2.gz	VSDCDKRROLLQTH-UHFFFAOYSA-N	-2	1	357.819	2.394	20	10		FECDML
O=C([O-])[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CCC1	ZINC000854234388	682527143	/nfs/dbraw/zinc/52/71/43/682527143.db2.gz	FCQUYWJXKQXJRF-LLVKDONJSA-N	-2	1	371.231	2.455	20	10		FECDML
CO[C@H](C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000276081271	550576603	/nfs/dbraw/zinc/57/66/03/550576603.db2.gz	UQMXGFATPVABFQ-SNVBAGLBSA-N	-2	1	370.452	2.019	20	10		FECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000740002725	602576462	/nfs/dbraw/zinc/57/64/62/602576462.db2.gz	SSSFVMMAUHJKFE-UHFFFAOYSA-N	-2	1	365.367	2.106	20	10		FECDML
COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1NC(C)=O	ZINC000753020343	680271154	/nfs/dbraw/zinc/27/11/54/680271154.db2.gz	QTOGFSSXHWLSSJ-UHFFFAOYSA-N	-2	1	372.349	2.438	20	10		FECDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000754863672	680385166	/nfs/dbraw/zinc/38/51/66/680385166.db2.gz	TWFIBCBWTKOCME-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776434919	681391623	/nfs/dbraw/zinc/39/16/23/681391623.db2.gz	QNIGVUVPFRJNEK-UHFFFAOYSA-N	-2	1	365.363	2.068	20	10		FECDML
CC1(C)COc2c(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cnn2C1	ZINC000901909489	690712481	/nfs/dbraw/zinc/71/24/81/690712481.db2.gz	RSTLQEVHAGZZDE-UHFFFAOYSA-N	-2	1	357.819	2.462	20	10		FECDML
CCOCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267022546	550026403	/nfs/dbraw/zinc/02/64/03/550026403.db2.gz	BULHZSXABBWEAP-UHFFFAOYSA-N	-2	1	370.452	2.021	20	10		FECDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C(=O)[O-]	ZINC000758772979	680606858	/nfs/dbraw/zinc/60/68/58/680606858.db2.gz	FNWDYPPPTYDYKE-UHFFFAOYSA-N	-2	1	365.363	2.102	20	10		FECDML
COc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1O	ZINC000797819994	683276468	/nfs/dbraw/zinc/27/64/68/683276468.db2.gz	AFPXQBGZDXOCQC-UHFFFAOYSA-N	-2	1	351.380	2.219	20	10		FECDML
C[C@@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000881480479	687137341	/nfs/dbraw/zinc/13/73/41/687137341.db2.gz	VGWRNKVGGSTIAB-SNVBAGLBSA-N	-2	1	352.437	2.489	20	10		FECDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000324651331	673047165	/nfs/dbraw/zinc/04/71/65/673047165.db2.gz	ZRYQDSNXPOOHIQ-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3nonc32)c1C(=O)[O-]	ZINC000761283450	680717930	/nfs/dbraw/zinc/71/79/30/680717930.db2.gz	TZDPHOSSLKQJND-UHFFFAOYSA-N	-2	1	351.315	2.169	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCOC1	ZINC000293535183	552833253	/nfs/dbraw/zinc/83/32/53/552833253.db2.gz	FIOXPJLLFDAKJE-UHFFFAOYSA-N	-2	1	368.436	2.075	20	10		FECDML
O=C([O-])[C@]1(F)CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357565	601373243	/nfs/dbraw/zinc/37/32/43/601373243.db2.gz	ZJJZCGZKSYAYGQ-IBGZPJMESA-N	-2	1	359.353	2.327	20	10		FECDML
O=C([O-])[C@]1(F)CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357565	601373245	/nfs/dbraw/zinc/37/32/45/601373245.db2.gz	ZJJZCGZKSYAYGQ-IBGZPJMESA-N	-2	1	359.353	2.327	20	10		FECDML
O=C([O-])[C@]1(F)CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357565	601373247	/nfs/dbraw/zinc/37/32/47/601373247.db2.gz	ZJJZCGZKSYAYGQ-IBGZPJMESA-N	-2	1	359.353	2.327	20	10		FECDML
O=S(=O)([N-]c1ccc(-c2nc[nH]n2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000753013903	680270609	/nfs/dbraw/zinc/27/06/09/680270609.db2.gz	BXGNBZVJBYCHJN-UHFFFAOYSA-N	-2	1	352.322	2.256	20	10		FECDML
O=C([O-])[C@@]1(F)CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357566	601372995	/nfs/dbraw/zinc/37/29/95/601372995.db2.gz	ZJJZCGZKSYAYGQ-LJQANCHMSA-N	-2	1	359.353	2.327	20	10		FECDML
O=C([O-])[C@@]1(F)CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357566	601372996	/nfs/dbraw/zinc/37/29/96/601372996.db2.gz	ZJJZCGZKSYAYGQ-LJQANCHMSA-N	-2	1	359.353	2.327	20	10		FECDML
O=C([O-])[C@@]1(F)CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357566	601372999	/nfs/dbraw/zinc/37/29/99/601372999.db2.gz	ZJJZCGZKSYAYGQ-LJQANCHMSA-N	-2	1	359.353	2.327	20	10		FECDML
CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821151205	675418555	/nfs/dbraw/zinc/41/85/55/675418555.db2.gz	XOTIZCCMGTVXGO-UHFFFAOYSA-N	-2	1	370.377	2.102	20	10		FECDML
COc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)ccc1O	ZINC000797820296	683276180	/nfs/dbraw/zinc/27/61/80/683276180.db2.gz	PQZQKPWOLDTFLT-UHFFFAOYSA-N	-2	1	359.306	2.178	20	10		FECDML
O=C([N-]CC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(F)(F)F	ZINC000877777319	686454734	/nfs/dbraw/zinc/45/47/34/686454734.db2.gz	VPMKUSLCHBXHRJ-UHFFFAOYSA-N	-2	1	367.711	2.064	20	10		FECDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000753522857	680302111	/nfs/dbraw/zinc/30/21/11/680302111.db2.gz	UXWRFWULMGMVOQ-UHFFFAOYSA-N	-2	1	366.351	2.196	20	10		FECDML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757654107	680530463	/nfs/dbraw/zinc/53/04/63/680530463.db2.gz	FHYJXSIXZSTVMU-UHFFFAOYSA-N	-3	1	369.326	2.037	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000757656874	680530794	/nfs/dbraw/zinc/53/07/94/680530794.db2.gz	PGLBUUCHUBTZPH-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000790408935	682674344	/nfs/dbraw/zinc/67/43/44/682674344.db2.gz	HZEIISHCWMEOCP-UHFFFAOYSA-N	-2	1	367.379	2.055	20	10		FECDML
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1O	ZINC000797820145	683276136	/nfs/dbraw/zinc/27/61/36/683276136.db2.gz	IIEKESPVYYWABM-UHFFFAOYSA-N	-2	1	363.391	2.389	20	10		FECDML
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cc(F)cc(F)c1[O-]	ZINC000872341317	684938409	/nfs/dbraw/zinc/93/84/09/684938409.db2.gz	NDAUJASGAIOALE-UHFFFAOYSA-N	-2	1	370.377	2.308	20	10		FECDML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000226860747	548749862	/nfs/dbraw/zinc/74/98/62/548749862.db2.gz	PZWNYOTYIIBQST-UHFFFAOYSA-N	-2	1	371.754	2.243	20	10		FECDML
Cc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-]	ZINC000738378808	600024639	/nfs/dbraw/zinc/02/46/39/600024639.db2.gz	JXAPOXQKYRFBPR-MHWRWJLKSA-N	-2	1	366.373	2.228	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCC1	ZINC000176939702	546511496	/nfs/dbraw/zinc/51/14/96/546511496.db2.gz	OPWZMYDLJDNBOO-UHFFFAOYSA-N	-2	1	352.437	2.491	20	10		FECDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(Cl)c1	ZINC000768503901	601862453	/nfs/dbraw/zinc/86/24/53/601862453.db2.gz	LNPKTCGGVMHXCW-UHFFFAOYSA-N	-3	1	371.754	2.243	20	10		FECDML
Cc1cc(Br)c([O-])c(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c1	ZINC000833897326	605912838	/nfs/dbraw/zinc/91/28/38/605912838.db2.gz	IIDWFQLLKYCGKT-GWCFXTLKSA-N	-2	1	373.247	2.320	20	10		FECDML
C=C=CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000816699115	675074121	/nfs/dbraw/zinc/07/41/21/675074121.db2.gz	ZAJKBJVFYXIINB-UHFFFAOYSA-N	-2	1	350.421	2.325	20	10		FECDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1	ZINC000055679160	670353951	/nfs/dbraw/zinc/35/39/51/670353951.db2.gz	ADOSJHPMYVQDLK-UHFFFAOYSA-N	-2	1	362.407	2.022	20	10		FECDML
O=C(Nc1cc[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748042573	679922483	/nfs/dbraw/zinc/92/24/83/679922483.db2.gz	HTKVVEGHRXBGGL-UHFFFAOYSA-N	-2	1	364.408	2.230	20	10		FECDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000758773060	680606770	/nfs/dbraw/zinc/60/67/70/680606770.db2.gz	GTXKBCZCIHFTDM-UHFFFAOYSA-N	-2	1	365.363	2.108	20	10		FECDML
C[C@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-]	ZINC000828455746	601816602	/nfs/dbraw/zinc/81/66/02/601816602.db2.gz	FWIJIJQUDNNNGM-WFASDCNBSA-N	-2	1	355.390	2.481	20	10		FECDML
C[C@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-]	ZINC000828455746	601816603	/nfs/dbraw/zinc/81/66/03/601816603.db2.gz	FWIJIJQUDNNNGM-WFASDCNBSA-N	-2	1	355.390	2.481	20	10		FECDML
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000775286434	681292348	/nfs/dbraw/zinc/29/23/48/681292348.db2.gz	RIQHVCVJZDKVEJ-UHFFFAOYSA-N	-2	1	369.311	2.018	20	10		FECDML
Cc1cc(Br)c([O-])c(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1	ZINC000833897328	605912682	/nfs/dbraw/zinc/91/26/82/605912682.db2.gz	IIDWFQLLKYCGKT-GXFFZTMASA-N	-2	1	373.247	2.320	20	10		FECDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000754861564	680385062	/nfs/dbraw/zinc/38/50/62/680385062.db2.gz	FLUZSYQDWLNDTO-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000760361166	680684203	/nfs/dbraw/zinc/68/42/03/680684203.db2.gz	PQXXKLTZQVCDKR-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cnc1C	ZINC000793442975	682889788	/nfs/dbraw/zinc/88/97/88/682889788.db2.gz	KCFZQWXAQZJVGI-UHFFFAOYSA-N	-2	1	374.777	2.476	20	10		FECDML
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1C(=O)[O-]	ZINC000821034232	597492005	/nfs/dbraw/zinc/49/20/05/597492005.db2.gz	VSPDGYJKPLUGJG-UHFFFAOYSA-N	-2	1	364.379	2.023	20	10		FECDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cnnn1-c1ccccc1	ZINC000821192798	675420828	/nfs/dbraw/zinc/42/08/28/675420828.db2.gz	XYHPCCFTHFLYPM-UHFFFAOYSA-N	-2	1	350.787	2.427	20	10		FECDML
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])ccc21	ZINC000753016034	680270913	/nfs/dbraw/zinc/27/09/13/680270913.db2.gz	GAFFVQGWLGMUEY-UHFFFAOYSA-N	-2	1	368.361	2.380	20	10		FECDML
O=C1CCc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])ccc2N1	ZINC000753020410	680271283	/nfs/dbraw/zinc/27/12/83/680271283.db2.gz	RINCYBPWTGEJMH-UHFFFAOYSA-N	-2	1	354.334	2.356	20	10		FECDML
C[C@@H](CF)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000816745517	675076980	/nfs/dbraw/zinc/07/69/80/675076980.db2.gz	LMCHLRBRCREUKH-VIFPVBQESA-N	-2	1	358.416	2.342	20	10		FECDML
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628418	604611299	/nfs/dbraw/zinc/61/12/99/604611299.db2.gz	PKMWXDPCHCJUSG-LKFCYVNXSA-N	-2	1	356.806	2.105	20	10		FECDML
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C(=O)[O-])s1	ZINC000737680553	600679083	/nfs/dbraw/zinc/67/90/83/600679083.db2.gz	KWNNHGUQCRVHMX-UHFFFAOYSA-N	-2	1	371.392	2.048	20	10		FECDML
COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CC2)cc1	ZINC000739909660	602839964	/nfs/dbraw/zinc/83/99/64/602839964.db2.gz	LVWIBXUKSXBLIQ-UHFFFAOYSA-N	-2	1	371.393	2.453	20	10		FECDML
O=C(NOC1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000812789958	674698432	/nfs/dbraw/zinc/69/84/32/674698432.db2.gz	FLJUAUQKCFZLIG-UHFFFAOYSA-N	-2	1	368.436	2.468	20	10		FECDML
O=C([O-])Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c([O-])c1	ZINC000740697838	602853310	/nfs/dbraw/zinc/85/33/10/602853310.db2.gz	IOVSDZACQKFHBN-UHFFFAOYSA-N	-2	1	371.393	2.249	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC(F)C1	ZINC000753074171	680273712	/nfs/dbraw/zinc/27/37/12/680273712.db2.gz	UOROHIYQAKEVFI-UHFFFAOYSA-N	-2	1	356.400	2.048	20	10		FECDML
Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753016638	680270765	/nfs/dbraw/zinc/27/07/65/680270765.db2.gz	IWMXDCWVMDWKCO-UHFFFAOYSA-N	-2	1	370.377	2.481	20	10		FECDML
Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285800	681291710	/nfs/dbraw/zinc/29/17/10/681291710.db2.gz	CLHCNWUHVLQUGE-UHFFFAOYSA-N	-2	1	358.353	2.169	20	10		FECDML
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1O	ZINC000776747511	681432522	/nfs/dbraw/zinc/43/25/22/681432522.db2.gz	FYUUWDZGGUNZJY-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833747215	605327935	/nfs/dbraw/zinc/32/79/35/605327935.db2.gz	SZTUVURKSLQSSB-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000013464107	670006671	/nfs/dbraw/zinc/00/66/71/670006671.db2.gz	FAHCZCVTTHTHFL-UHFFFAOYSA-N	-2	1	365.363	2.068	20	10		FECDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000324605256	673046574	/nfs/dbraw/zinc/04/65/74/673046574.db2.gz	MUGJCYAXHILNCI-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3nsnc32)c1F	ZINC000548556143	673971008	/nfs/dbraw/zinc/97/10/08/673971008.db2.gz	ZBNIKPVCKQIJBW-UHFFFAOYSA-N	-2	1	371.346	2.469	20	10		FECDML
CC(C)(CCNC(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC000818624184	675229211	/nfs/dbraw/zinc/22/92/11/675229211.db2.gz	PZTQJHCJOUWPNZ-UHFFFAOYSA-N	-2	1	359.220	2.455	20	10		FECDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000758774379	680606869	/nfs/dbraw/zinc/60/68/69/680606869.db2.gz	QNRSQQVKEZLKNI-UHFFFAOYSA-N	-2	1	352.324	2.009	20	10		FECDML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1	ZINC000055679272	136127286	/nfs/dbraw/zinc/12/72/86/136127286.db2.gz	SRGPSEZKFYSLKV-UHFFFAOYSA-N	-2	1	362.407	2.022	20	10		FECDML
COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000753520192	680302011	/nfs/dbraw/zinc/30/20/11/680302011.db2.gz	FEXQCCNXIDNTJS-UHFFFAOYSA-N	-2	1	354.340	2.118	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000776433373	681391170	/nfs/dbraw/zinc/39/11/70/681391170.db2.gz	SPMQMHAQAXLYMW-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
CC(C)[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC000848588840	681584834	/nfs/dbraw/zinc/58/48/34/681584834.db2.gz	AOZJWQIBMXBBOU-JTQLQIEISA-N	-2	1	359.220	2.311	20	10		FECDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000324038351	673044604	/nfs/dbraw/zinc/04/46/04/673044604.db2.gz	QNKOOKVOAVXQBE-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000831082602	679919748	/nfs/dbraw/zinc/91/97/48/679919748.db2.gz	JSXGUPFZNQSDJP-SCZZXKLOSA-N	-2	1	357.204	2.207	20	10		FECDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1	ZINC000776536584	681401033	/nfs/dbraw/zinc/40/10/33/681401033.db2.gz	JWSNUNAAAXLMKP-UHFFFAOYSA-N	-2	1	353.743	2.375	20	10		FECDML
C[C@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000881480478	687137401	/nfs/dbraw/zinc/13/74/01/687137401.db2.gz	VGWRNKVGGSTIAB-JTQLQIEISA-N	-2	1	352.437	2.489	20	10		FECDML
O=C([O-])NC[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740644449	602268567	/nfs/dbraw/zinc/26/85/67/602268567.db2.gz	UCKRYSJCTTUVHU-CYBMUJFWSA-N	-2	1	370.405	2.418	20	10		FECDML
O=C([O-])NC[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740644449	602268568	/nfs/dbraw/zinc/26/85/68/602268568.db2.gz	UCKRYSJCTTUVHU-CYBMUJFWSA-N	-2	1	370.405	2.418	20	10		FECDML
CSCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751060350	680151225	/nfs/dbraw/zinc/15/12/25/680151225.db2.gz	KIOBPDXPGAWUNQ-UHFFFAOYSA-N	-2	1	372.493	2.347	20	10		FECDML
O=S(=O)([N-]c1ccccc1Cn1cncn1)c1cc(F)cc(F)c1[O-]	ZINC000821163644	675419356	/nfs/dbraw/zinc/41/93/56/675419356.db2.gz	YVJGANKLFMKTCS-UHFFFAOYSA-N	-2	1	366.349	2.111	20	10		FECDML
C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2NC1=O	ZINC000753022697	680271143	/nfs/dbraw/zinc/27/11/43/680271143.db2.gz	ZVFCGBMHTPYBJD-SSDOTTSWSA-N	-2	1	370.333	2.191	20	10		FECDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757655771	680530322	/nfs/dbraw/zinc/53/03/22/680530322.db2.gz	LOVLBJNJDFYPLD-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
O=C([O-])[C@@H]1CCC[N@H+](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	ZINC000911746139	685252990	/nfs/dbraw/zinc/25/29/90/685252990.db2.gz	WBIRELKYRZWOCA-SECBINFHSA-N	-2	1	361.225	2.112	20	10		FECDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC	ZINC000817353939	675124190	/nfs/dbraw/zinc/12/41/90/675124190.db2.gz	XVTWPCLKSKJUQE-SNVBAGLBSA-N	-2	1	363.407	2.121	20	10		FECDML
O=C(NCC1CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000177018922	546525460	/nfs/dbraw/zinc/52/54/60/546525460.db2.gz	YJEFOVOOYWLSDE-UHFFFAOYSA-N	-2	1	352.437	2.394	20	10		FECDML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O	ZINC000776747862	681433213	/nfs/dbraw/zinc/43/32/13/681433213.db2.gz	OZQFQPMKOFORAM-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000790411173	682674904	/nfs/dbraw/zinc/67/49/04/682674904.db2.gz	GIPQYIOYSMJKEW-UHFFFAOYSA-N	-2	1	367.379	2.299	20	10		FECDML
COCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267034629	550027309	/nfs/dbraw/zinc/02/73/09/550027309.db2.gz	FYMMQCVHCGRNDP-UHFFFAOYSA-N	-2	1	370.452	2.021	20	10		FECDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(OC)c1C(=O)[O-]	ZINC000833734573	605202644	/nfs/dbraw/zinc/20/26/44/605202644.db2.gz	NMYBNVMZMXIBBF-UHFFFAOYSA-N	-2	1	367.379	2.217	20	10		FECDML
Cc1cc(Br)c([O-])c(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1	ZINC000833897329	605912789	/nfs/dbraw/zinc/91/27/89/605912789.db2.gz	IIDWFQLLKYCGKT-MFKMUULPSA-N	-2	1	373.247	2.320	20	10		FECDML
CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628419	604611744	/nfs/dbraw/zinc/61/17/44/604611744.db2.gz	PKMWXDPCHCJUSG-OTYXRUKQSA-N	-2	1	356.806	2.105	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC2(CC2)C1	ZINC000833322477	680193053	/nfs/dbraw/zinc/19/30/53/680193053.db2.gz	FWSOKSLUGOZMGT-UHFFFAOYSA-N	-2	1	364.448	2.491	20	10		FECDML
Cn1cnc(-c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2)n1	ZINC000753016139	680270870	/nfs/dbraw/zinc/27/08/70/680270870.db2.gz	PHMZRDGRDVRQTM-UHFFFAOYSA-N	-2	1	366.349	2.267	20	10		FECDML
Cc1cc(F)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000753781204	680314196	/nfs/dbraw/zinc/31/41/96/680314196.db2.gz	WNKMRBYIXYOJKK-UHFFFAOYSA-N	-2	1	369.326	2.037	20	10		FECDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289107	681293009	/nfs/dbraw/zinc/29/30/09/681293009.db2.gz	RBZMTAQZYGWYIM-UHFFFAOYSA-N	-2	1	371.302	2.457	20	10		FECDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC	ZINC000817353938	675124199	/nfs/dbraw/zinc/12/41/99/675124199.db2.gz	XVTWPCLKSKJUQE-JTQLQIEISA-N	-2	1	363.407	2.121	20	10		FECDML
O=C(Nc1cn[nH]c1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748023455	679920380	/nfs/dbraw/zinc/92/03/80/679920380.db2.gz	DUSIOZSEBGNVHI-UHFFFAOYSA-N	-2	1	364.408	2.230	20	10		FECDML
O=C(Nc1cnoc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769740112	680993278	/nfs/dbraw/zinc/99/32/78/680993278.db2.gz	CDEDBNOYKBLTPS-UHFFFAOYSA-N	-2	1	365.392	2.495	20	10		FECDML
COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808114412	674442028	/nfs/dbraw/zinc/44/20/28/674442028.db2.gz	XAOXOAVPLCLMQP-UHFFFAOYSA-N	-2	1	360.750	2.167	20	10		FECDML
NC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Cl	ZINC000821145145	675418390	/nfs/dbraw/zinc/41/83/90/675418390.db2.gz	RUPLMYDATSCSST-UHFFFAOYSA-N	-2	1	362.741	2.224	20	10		FECDML
CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821156975	675418548	/nfs/dbraw/zinc/41/85/48/675418548.db2.gz	CHWYAIHVINWXBI-UHFFFAOYSA-N	-2	1	356.350	2.221	20	10		FECDML
C[C@@H]1C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000080023669	542559150	/nfs/dbraw/zinc/55/91/50/542559150.db2.gz	UQZRDPKPLVLISL-BXKDBHETSA-N	-2	1	352.437	2.393	20	10		FECDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000322107006	673041355	/nfs/dbraw/zinc/04/13/55/673041355.db2.gz	FIGICTDGYYJYPR-UHFFFAOYSA-N	-2	1	352.755	2.416	20	10		FECDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000758773123	680606653	/nfs/dbraw/zinc/60/66/53/680606653.db2.gz	HXWWFBIAZYGILY-UHFFFAOYSA-N	-2	1	353.327	2.233	20	10		FECDML
CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000792702750	682828909	/nfs/dbraw/zinc/82/89/09/682828909.db2.gz	FRTVAVNLHLWUHL-UHFFFAOYSA-N	-2	1	355.393	2.319	20	10		FECDML
CC(C)OCc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1O	ZINC000290550431	552496645	/nfs/dbraw/zinc/49/66/45/552496645.db2.gz	QISCKTUZIBNBRV-UHFFFAOYSA-N	-2	1	354.384	2.144	20	10		FECDML
CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821172981	675419882	/nfs/dbraw/zinc/41/98/82/675419882.db2.gz	JUQPICZSUFDVAK-UHFFFAOYSA-N	-2	1	372.349	2.105	20	10		FECDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775287578	681292631	/nfs/dbraw/zinc/29/26/31/681292631.db2.gz	CVIXUIVHCZXZPD-UHFFFAOYSA-N	-2	1	353.312	2.318	20	10		FECDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ccc1O	ZINC000833300787	601863597	/nfs/dbraw/zinc/86/35/97/601863597.db2.gz	KVDUGPGCJQDLQL-UHFFFAOYSA-N	-3	1	371.754	2.243	20	10		FECDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1C	ZINC000013463968	670006825	/nfs/dbraw/zinc/00/68/25/670006825.db2.gz	ZBDNKJRQNANQFE-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000326511828	673053274	/nfs/dbraw/zinc/05/32/74/673053274.db2.gz	RYGYSOYFEZGRHC-UHFFFAOYSA-N	-2	1	364.379	2.158	20	10		FECDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000751142688	680155926	/nfs/dbraw/zinc/15/59/26/680155926.db2.gz	JZZVLKLJXXRULB-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2NC1=O	ZINC000753022700	680271260	/nfs/dbraw/zinc/27/12/60/680271260.db2.gz	ZVFCGBMHTPYBJD-ZETCQYMHSA-N	-2	1	370.333	2.191	20	10		FECDML
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000790411720	682674635	/nfs/dbraw/zinc/67/46/35/682674635.db2.gz	OGNCEYQVYALGIY-UHFFFAOYSA-N	-2	1	366.351	2.362	20	10		FECDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000790411221	682674787	/nfs/dbraw/zinc/67/47/87/682674787.db2.gz	HHJPFHAKKACQKQ-UHFFFAOYSA-N	-2	1	367.379	2.304	20	10		FECDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000826493159	609156524	/nfs/dbraw/zinc/15/65/24/609156524.db2.gz	WGKMQCZPDRMLRT-UHFFFAOYSA-N	-2	1	369.765	2.166	20	10		FECDML
O=C1NCCN1c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000821151025	675418655	/nfs/dbraw/zinc/41/86/55/675418655.db2.gz	RQWIVVNRQWSFDZ-UHFFFAOYSA-N	-2	1	369.349	2.001	20	10		FECDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285796	681291819	/nfs/dbraw/zinc/29/18/19/681291819.db2.gz	CHKXTJSLOODYTH-UHFFFAOYSA-N	-2	1	353.312	2.318	20	10		FECDML
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628421	604611704	/nfs/dbraw/zinc/61/17/04/604611704.db2.gz	PKMWXDPCHCJUSG-YMTOWFKASA-N	-2	1	356.806	2.105	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1C[C@@H]2C[C@@H]2C1	ZINC000862555243	683600785	/nfs/dbraw/zinc/60/07/85/683600785.db2.gz	JLFXEMWPUQUXPI-PHIMTYICSA-N	-2	1	364.448	2.346	20	10		FECDML
O=C([O-])COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000864009243	683797428	/nfs/dbraw/zinc/79/74/28/683797428.db2.gz	GWEHDCSUPVMPDH-RUDMXATFSA-N	-2	1	374.237	2.401	20	10		FECDML
O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1cc(F)cc(F)c1[O-]	ZINC000753018326	680270879	/nfs/dbraw/zinc/27/08/79/680270879.db2.gz	MBDCMVVRIDBILP-UHFFFAOYSA-N	-2	1	352.322	2.052	20	10		FECDML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776751411	681433508	/nfs/dbraw/zinc/43/35/08/681433508.db2.gz	VCIHSNUIVGFZGZ-UHFFFAOYSA-N	-3	1	371.798	2.482	20	10		FECDML
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cnc1C	ZINC000793414303	682887568	/nfs/dbraw/zinc/88/75/68/682887568.db2.gz	CTTZMSOXUQTPKC-UHFFFAOYSA-N	-2	1	356.787	2.336	20	10		FECDML
O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000833297289	601863701	/nfs/dbraw/zinc/86/37/01/601863701.db2.gz	LHLPVWINJDIRQJ-UHFFFAOYSA-N	-3	1	371.754	2.243	20	10		FECDML
O=C([O-])N[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740596538	605903610	/nfs/dbraw/zinc/90/36/10/605903610.db2.gz	MVBOBQRFTNZTDI-ZDUSSCGKSA-N	-2	1	356.378	2.171	20	10		FECDML
O=C([O-])N[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740596538	605903612	/nfs/dbraw/zinc/90/36/12/605903612.db2.gz	MVBOBQRFTNZTDI-ZDUSSCGKSA-N	-2	1	356.378	2.171	20	10		FECDML
C[C@@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-]	ZINC000828455741	601816526	/nfs/dbraw/zinc/81/65/26/601816526.db2.gz	FWIJIJQUDNNNGM-DOMZBBRYSA-N	-2	1	355.390	2.481	20	10		FECDML
C[C@@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-]	ZINC000828455741	601816528	/nfs/dbraw/zinc/81/65/28/601816528.db2.gz	FWIJIJQUDNNNGM-DOMZBBRYSA-N	-2	1	355.390	2.481	20	10		FECDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000324590474	673046323	/nfs/dbraw/zinc/04/63/23/673046323.db2.gz	ILAHRQBUWYDOJX-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753018123	680270758	/nfs/dbraw/zinc/27/07/58/680270758.db2.gz	STUGYOQCDUWKRY-UHFFFAOYSA-N	-2	1	359.306	2.178	20	10		FECDML
CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1CO	ZINC000753018137	680270891	/nfs/dbraw/zinc/27/08/91/680270891.db2.gz	SXCIQTDGOMXPLI-UHFFFAOYSA-N	-2	1	359.350	2.362	20	10		FECDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000758774130	680606913	/nfs/dbraw/zinc/60/69/13/680606913.db2.gz	MFAFCRJVLUKSQL-UHFFFAOYSA-N	-2	1	363.391	2.413	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCO1	ZINC000771456371	681056346	/nfs/dbraw/zinc/05/63/46/681056346.db2.gz	KZLSDIQUXOUSLP-UHFFFAOYSA-N	-2	1	354.409	2.032	20	10		FECDML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286462	681292357	/nfs/dbraw/zinc/29/23/57/681292357.db2.gz	SNBLVFNULPIEIY-UHFFFAOYSA-N	-3	1	370.314	2.247	20	10		FECDML
O=C([O-])C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1	ZINC000851653985	682101914	/nfs/dbraw/zinc/10/19/14/682101914.db2.gz	KOCCDEUHNICNJR-UHFFFAOYSA-N	-2	1	357.204	2.209	20	10		FECDML
CC1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000788197006	682510468	/nfs/dbraw/zinc/51/04/68/682510468.db2.gz	YHXMGUAWTKGWPV-UHFFFAOYSA-N	-2	1	352.437	2.346	20	10		FECDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000175206832	546306790	/nfs/dbraw/zinc/30/67/90/546306790.db2.gz	XFQNHASWMAVLGY-UHFFFAOYSA-N	-2	1	352.437	2.489	20	10		FECDML
O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000834260919	605993210	/nfs/dbraw/zinc/99/32/10/605993210.db2.gz	CISJOGSBXJMJGJ-UHFFFAOYSA-N	-2	1	352.303	2.253	20	10		FECDML
O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753018557	680270844	/nfs/dbraw/zinc/27/08/44/680270844.db2.gz	OBMKDIUSUFZCMR-UHFFFAOYSA-N	-2	1	368.361	2.363	20	10		FECDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434437	681391718	/nfs/dbraw/zinc/39/17/18/681391718.db2.gz	FNCPGRHKIOQAHR-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000776443143	681392661	/nfs/dbraw/zinc/39/26/61/681392661.db2.gz	NTFXNOBDCCPJLG-UHFFFAOYSA-N	-2	1	353.743	2.375	20	10		FECDML
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)ccc1O	ZINC000797819357	683275647	/nfs/dbraw/zinc/27/56/47/683275647.db2.gz	HBOYABWLTITGRL-UHFFFAOYSA-N	-2	1	355.343	2.347	20	10		FECDML
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cn1C	ZINC000808114940	674442006	/nfs/dbraw/zinc/44/20/06/674442006.db2.gz	IYUFCHIFEGJCHU-UHFFFAOYSA-N	-2	1	362.766	2.111	20	10		FECDML
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750505	681433242	/nfs/dbraw/zinc/43/32/42/681433242.db2.gz	GNYFYFODJSYYNH-UHFFFAOYSA-N	-2	1	361.828	2.250	20	10		FECDML
O=C([O-])NC[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740644450	602268468	/nfs/dbraw/zinc/26/84/68/602268468.db2.gz	UCKRYSJCTTUVHU-ZDUSSCGKSA-N	-2	1	370.405	2.418	20	10		FECDML
O=C([O-])NC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740644450	602268469	/nfs/dbraw/zinc/26/84/69/602268469.db2.gz	UCKRYSJCTTUVHU-ZDUSSCGKSA-N	-2	1	370.405	2.418	20	10		FECDML
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000757655155	680530436	/nfs/dbraw/zinc/53/04/36/680530436.db2.gz	JVLZFHLPFLHXRT-UHFFFAOYSA-N	-2	1	365.363	2.068	20	10		FECDML
C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000288139962	552098251	/nfs/dbraw/zinc/09/82/51/552098251.db2.gz	KLPQGDBQUVMUPL-AUTRQRHGSA-N	-2	1	360.332	2.015	20	10		FECDML
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753022457	680271106	/nfs/dbraw/zinc/27/11/06/680271106.db2.gz	WPRLXIQWMBEHNM-UHFFFAOYSA-N	-2	1	356.350	2.173	20	10		FECDML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000753521750	680302121	/nfs/dbraw/zinc/30/21/21/680302121.db2.gz	MKNXCJVAJIZTRB-UHFFFAOYSA-N	-2	1	370.314	2.027	20	10		FECDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757654902	680530285	/nfs/dbraw/zinc/53/02/85/680530285.db2.gz	HWYDFKLKVZRMLW-UHFFFAOYSA-N	-2	1	366.351	2.362	20	10		FECDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000758168009	680558837	/nfs/dbraw/zinc/55/88/37/680558837.db2.gz	KEQSOEBKXGVZRN-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cn1	ZINC000808113480	674441758	/nfs/dbraw/zinc/44/17/58/674441758.db2.gz	AGDOZDYEXOEDIL-UHFFFAOYSA-N	-2	1	360.750	2.167	20	10		FECDML
C[C@@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-]	ZINC000828455743	601816220	/nfs/dbraw/zinc/81/62/20/601816220.db2.gz	FWIJIJQUDNNNGM-IUODEOHRSA-N	-2	1	355.390	2.481	20	10		FECDML
C[C@@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-]	ZINC000828455743	601816221	/nfs/dbraw/zinc/81/62/21/601816221.db2.gz	FWIJIJQUDNNNGM-IUODEOHRSA-N	-2	1	355.390	2.481	20	10		FECDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000013464085	670006728	/nfs/dbraw/zinc/00/67/28/670006728.db2.gz	ZRRXCKLVHZWYER-UHFFFAOYSA-N	-2	1	366.351	2.416	20	10		FECDML
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753020628	680271254	/nfs/dbraw/zinc/27/12/54/680271254.db2.gz	TWXCWRASJHZTAX-UHFFFAOYSA-N	-2	1	366.349	2.267	20	10		FECDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1F	ZINC000757658219	680530572	/nfs/dbraw/zinc/53/05/72/680530572.db2.gz	YCBMQNPLPIOSOD-UHFFFAOYSA-N	-2	1	369.326	2.037	20	10		FECDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000777936695	681545850	/nfs/dbraw/zinc/54/58/50/681545850.db2.gz	XSSRIPAGWKXUJH-UHFFFAOYSA-N	-2	1	370.314	2.247	20	10		FECDML
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000790415764	682675228	/nfs/dbraw/zinc/67/52/28/682675228.db2.gz	LXFIGGHNCNPTAI-UHFFFAOYSA-N	-2	1	366.351	2.362	20	10		FECDML
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000821199104	675421003	/nfs/dbraw/zinc/42/10/03/675421003.db2.gz	UEYPDRXZGHHFMF-UHFFFAOYSA-N	-2	1	357.771	2.339	20	10		FECDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820254	683276219	/nfs/dbraw/zinc/27/62/19/683276219.db2.gz	NPMBGLWVGOEQBO-UHFFFAOYSA-N	-2	1	351.380	2.462	20	10		FECDML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759948	688963053	/nfs/dbraw/zinc/96/30/53/688963053.db2.gz	WXTYKCVDBNDYAN-JTQLQIEISA-N	-2	1	352.740	2.365	20	10		FECDML
CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753018496	680270942	/nfs/dbraw/zinc/27/09/42/680270942.db2.gz	NLYCIWIVDHVURI-UHFFFAOYSA-N	-2	1	357.338	2.223	20	10		FECDML
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000753780613	680314331	/nfs/dbraw/zinc/31/43/31/680314331.db2.gz	SXRHUUWGQUHJRZ-UHFFFAOYSA-N	-2	1	369.326	2.037	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1F	ZINC000768279289	680942507	/nfs/dbraw/zinc/94/25/07/680942507.db2.gz	JTNFDIOVXSZOCI-UHFFFAOYSA-N	-2	1	370.314	2.247	20	10		FECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC(F)(F)C1	ZINC000782853340	682087503	/nfs/dbraw/zinc/08/75/03/682087503.db2.gz	CUDSQZZDYWCSNU-UHFFFAOYSA-N	-2	1	374.390	2.346	20	10		FECDML
O=C([O-])[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CCC1	ZINC000854234389	682527314	/nfs/dbraw/zinc/52/73/14/682527314.db2.gz	FCQUYWJXKQXJRF-NSHDSACASA-N	-2	1	371.231	2.455	20	10		FECDML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1Cl	ZINC000321848605	673040819	/nfs/dbraw/zinc/04/08/19/673040819.db2.gz	JMJMJBIVEQFKSZ-UHFFFAOYSA-N	-2	1	352.755	2.416	20	10		FECDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000324644575	673046830	/nfs/dbraw/zinc/04/68/30/673046830.db2.gz	YEBVXJJGQJPHOK-UHFFFAOYSA-N	-2	1	352.324	2.108	20	10		FECDML
Cn1cnc(-c2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])c2)n1	ZINC000821198001	675421103	/nfs/dbraw/zinc/42/11/03/675421103.db2.gz	IXIBKPCLYHDKFX-UHFFFAOYSA-N	-2	1	366.349	2.267	20	10		FECDML
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775289561	681293550	/nfs/dbraw/zinc/29/35/50/681293550.db2.gz	WCXNKSLRNDMFCZ-UHFFFAOYSA-N	-2	1	366.351	2.278	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776434724	681391775	/nfs/dbraw/zinc/39/17/75/681391775.db2.gz	LLZIUHQILADLGL-UHFFFAOYSA-N	-2	1	370.314	2.247	20	10		FECDML
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000013464013	670006525	/nfs/dbraw/zinc/00/65/25/670006525.db2.gz	QGVWNUMTGHIFEK-UHFFFAOYSA-N	-2	1	365.363	2.068	20	10		FECDML
Cc1ccc(-n2[n-]nnc2=NCc2cccc(Br)c2[O-])cc1	ZINC000764935501	680824986	/nfs/dbraw/zinc/82/49/86/680824986.db2.gz	VPLFOXGSHVJIHW-UHFFFAOYSA-N	-2	1	360.215	2.473	20	10		FECDML
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1F	ZINC000775287560	681292572	/nfs/dbraw/zinc/29/25/72/681292572.db2.gz	CCBOQXVBYAUHNW-UHFFFAOYSA-N	-2	1	371.302	2.457	20	10		FECDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000775289576	681293435	/nfs/dbraw/zinc/29/34/35/681293435.db2.gz	WUMWRSBMBGOCBR-UHFFFAOYSA-N	-2	1	366.351	2.196	20	10		FECDML
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750404	681433084	/nfs/dbraw/zinc/43/30/84/681433084.db2.gz	CRBMFNNLHQPOOM-UHFFFAOYSA-N	-2	1	359.791	2.055	20	10		FECDML
O=C([O-])N[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740596536	604292163	/nfs/dbraw/zinc/29/21/63/604292163.db2.gz	MVBOBQRFTNZTDI-CYBMUJFWSA-N	-2	1	356.378	2.171	20	10		FECDML
O=C([O-])N[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740596536	604292165	/nfs/dbraw/zinc/29/21/65/604292165.db2.gz	MVBOBQRFTNZTDI-CYBMUJFWSA-N	-2	1	356.378	2.171	20	10		FECDML
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000775286609	681292534	/nfs/dbraw/zinc/29/25/34/681292534.db2.gz	ZTFRNHKEMQBWGR-UHFFFAOYSA-N	-2	1	353.312	2.318	20	10		FECDML
CC(C)OCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1O	ZINC000290457082	552481656	/nfs/dbraw/zinc/48/16/56/552481656.db2.gz	DXLDTXSRNQMFMJ-UHFFFAOYSA-N	-2	1	368.411	2.155	20	10		FECDML
O=C([O-])[C@H]1CCC[N@H+](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	ZINC000911746140	685253044	/nfs/dbraw/zinc/25/30/44/685253044.db2.gz	WBIRELKYRZWOCA-VIFPVBQESA-N	-2	1	361.225	2.112	20	10		FECDML