smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])cc1F)c1c(F)cccc1OC(F)(F)F	ZINC000808106177	725183845	/nfs/dbraw/zinc/18/38/45/725183845.db2.gz	ZRUPPDVHZUSMKP-UHFFFAOYSA-N	-2	3	369.267	3.370	20	10		FGCDHL
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808113745	725184515	/nfs/dbraw/zinc/18/45/15/725184515.db2.gz	IJAQFSIGCGTPPZ-UHFFFAOYSA-N	-2	3	373.789	3.162	20	10		FGCDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)cc1F	ZINC000290427535	498549589	/nfs/dbraw/zinc/54/95/89/498549589.db2.gz	AHIOSOBVLUZNBM-UHFFFAOYSA-N	-2	3	369.414	3.266	20	10		FGCDHL
CCN(CC(=O)[O-])Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21	ZINC000737074563	600027584	/nfs/dbraw/zinc/02/75/84/600027584.db2.gz	HZSILGYYALHEMO-UHFFFAOYSA-N	-2	3	367.401	3.381	20	10		FGCDHL
O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1c(F)cccc1[N+](=O)[O-]	ZINC000739794098	600315583	/nfs/dbraw/zinc/31/55/83/600315583.db2.gz	QUORFPBCMLFTJN-UHFFFAOYSA-N	-2	3	368.748	3.180	20	10		FGCDHL
O=C(NCc1cccc(Br)c1[O-])c1c([O-])cccc1Cl	ZINC000765725993	723535073	/nfs/dbraw/zinc/53/50/73/723535073.db2.gz	BMKNGQUOIGBFLS-UHFFFAOYSA-N	-2	3	356.603	3.444	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1[O-]	ZINC000290561260	498598185	/nfs/dbraw/zinc/59/81/85/498598185.db2.gz	RWELKCOZIDIGDI-UHFFFAOYSA-N	-2	3	357.378	3.396	20	10		FGCDHL
O=C([O-])CN(Cc1nc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-]	ZINC000739799577	600315895	/nfs/dbraw/zinc/31/58/95/600315895.db2.gz	XWXPOKQBMOZFHH-UHFFFAOYSA-N	-2	3	373.796	3.182	20	10		FGCDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1C	ZINC000775291786	723977159	/nfs/dbraw/zinc/97/71/59/723977159.db2.gz	OVAHMGIELAYZGM-UHFFFAOYSA-N	-2	3	363.435	3.433	20	10		FGCDHL
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(=O)[n-]c(C2CC2)n1	ZINC000848078720	731127543	/nfs/dbraw/zinc/12/75/43/731127543.db2.gz	CFVIXXPOGZVVHP-UHFFFAOYSA-N	-2	3	354.193	3.002	20	10		FGCDHL
O=C([O-])CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(Cl)ccc1[O-]	ZINC000739799535	600145523	/nfs/dbraw/zinc/14/55/23/600145523.db2.gz	UVSIUSCJZRCMIW-UHFFFAOYSA-N	-2	3	373.796	3.182	20	10		FGCDHL
O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccc([O-])c(O)c1	ZINC000783533915	724762258	/nfs/dbraw/zinc/76/22/58/724762258.db2.gz	RLFQSBVGRIGGRN-UHFFFAOYSA-N	-2	3	357.145	3.150	20	10		FGCDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c2cccnc12	ZINC000776748643	724179234	/nfs/dbraw/zinc/17/92/34/724179234.db2.gz	AFNJUEOXYXHWFS-UHFFFAOYSA-N	-2	3	364.810	3.403	20	10		FGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000272752801	497720456	/nfs/dbraw/zinc/72/04/56/497720456.db2.gz	MOSDOWXBZSYQCI-UHFFFAOYSA-N	-2	3	363.435	3.054	20	10		FGCDHL
CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1[O-]	ZINC000286318441	498361241	/nfs/dbraw/zinc/36/12/41/498361241.db2.gz	XUCKUDFAXCAUFL-CQSZACIVSA-N	-2	3	368.430	3.475	20	10		FGCDHL
Cn1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2ccccc21	ZINC000739013826	600144676	/nfs/dbraw/zinc/14/46/76/600144676.db2.gz	HJKHEALGGGNVPO-UHFFFAOYSA-N	-2	3	359.813	3.019	20	10		FGCDHL
O=C([O-])CCCCCN1C(=O)/C(=C/c2cc(F)ccc2[O-])SC1=S	ZINC000270151449	497066869	/nfs/dbraw/zinc/06/68/69/497066869.db2.gz	VVTFAAZTJGUKQY-LCYFTJDESA-N	-2	3	369.439	3.378	20	10		FGCDHL
O=C([O-])CN(Cc1noc(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000739799491	600506324	/nfs/dbraw/zinc/50/63/24/600506324.db2.gz	QTWDJZCBTGYMNF-UHFFFAOYSA-N	-2	3	373.796	3.182	20	10		FGCDHL
O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc(O)c1[O-]	ZINC000776353779	724135506	/nfs/dbraw/zinc/13/55/06/724135506.db2.gz	HZUVRDPIADMSDD-UHFFFAOYSA-N	-2	3	358.575	3.472	20	10		FGCDHL
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748900	724179291	/nfs/dbraw/zinc/17/92/91/724179291.db2.gz	PPPUDQCZTJOAQW-UHFFFAOYSA-N	-2	3	356.787	3.371	20	10		FGCDHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113500	725184236	/nfs/dbraw/zinc/18/42/36/725184236.db2.gz	BFPHRICYMSSWHU-UHFFFAOYSA-N	-2	3	360.750	3.202	20	10		FGCDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113738	725184530	/nfs/dbraw/zinc/18/45/30/725184530.db2.gz	IAUIWPACQPWYBV-UHFFFAOYSA-N	-2	3	360.750	3.202	20	10		FGCDHL
CO[C@H](C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1	ZINC000831500590	601354402	/nfs/dbraw/zinc/35/44/02/601354402.db2.gz	KCIZYMWPHSFSNT-SNVBAGLBSA-N	-2	3	370.858	3.296	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)c(C)c1O	ZINC000793408947	723434836	/nfs/dbraw/zinc/43/48/36/723434836.db2.gz	MCRNRCINFOBMGE-UHFFFAOYSA-N	-2	3	367.398	3.264	20	10		FGCDHL
Cc1nc(C)c(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(=O)[n-]1	ZINC000807838004	725171828	/nfs/dbraw/zinc/17/18/28/725171828.db2.gz	HGMXZXDGFONFIG-UHFFFAOYSA-N	-2	3	370.236	3.060	20	10		FGCDHL
CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813683784	726904852	/nfs/dbraw/zinc/90/48/52/726904852.db2.gz	CSODNYZSJZPALO-UHFFFAOYSA-N	-2	3	374.249	3.155	20	10		FGCDHL
CC(C)(C)c1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1	ZINC000736298632	600143265	/nfs/dbraw/zinc/14/32/65/600143265.db2.gz	DYHIZDBECJYVKF-UHFFFAOYSA-N	-2	3	352.818	3.418	20	10		FGCDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1[O-]	ZINC000133741204	700840949	/nfs/dbraw/zinc/84/09/49/700840949.db2.gz	YLCDRIKLEHRDBF-UHFFFAOYSA-N	-2	3	362.285	3.120	20	10		FGCDHL
O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(F)c1F	ZINC000805135310	725052200	/nfs/dbraw/zinc/05/22/00/725052200.db2.gz	IXKKAPGDSOFUAD-UHFFFAOYSA-N	-2	3	368.188	3.456	20	10		FGCDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1Cl	ZINC000318028147	713808264	/nfs/dbraw/zinc/80/82/64/713808264.db2.gz	ZKQWECNALIANPC-UHFFFAOYSA-N	-3	3	362.190	3.198	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)ccc1O	ZINC000794870913	723549734	/nfs/dbraw/zinc/54/97/34/723549734.db2.gz	ZOWWBZDOENPSGC-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc(C(=O)[O-])c1C	ZINC000808113534	725184175	/nfs/dbraw/zinc/18/41/75/725184175.db2.gz	CHMGJQVIHCMLQA-UHFFFAOYSA-N	-3	3	373.789	3.301	20	10		FGCDHL
CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)no1	ZINC000901962910	743687264	/nfs/dbraw/zinc/68/72/64/743687264.db2.gz	NMGFOCUEFXEYBW-UHFFFAOYSA-N	-2	3	362.810	3.412	20	10		FGCDHL
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000758165933	722985332	/nfs/dbraw/zinc/98/53/32/722985332.db2.gz	PEZSSWBWMBIASE-UHFFFAOYSA-N	-2	3	356.787	3.371	20	10		FGCDHL
CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000788749342	725085585	/nfs/dbraw/zinc/08/55/85/725085585.db2.gz	SGCQMGDLPBSZGL-UHFFFAOYSA-N	-2	3	369.826	3.332	20	10		FGCDHL
Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)OCO2	ZINC000808114979	725184362	/nfs/dbraw/zinc/18/43/62/725184362.db2.gz	JWBFLAUJWYGCPD-UHFFFAOYSA-N	-2	3	359.762	3.023	20	10		FGCDHL
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113967	725184424	/nfs/dbraw/zinc/18/44/24/725184424.db2.gz	OLSKDUVYDPTQII-UHFFFAOYSA-N	-2	3	374.777	3.077	20	10		FGCDHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)ccc1C	ZINC000808114775	725184434	/nfs/dbraw/zinc/18/44/34/725184434.db2.gz	HEJAJINGRZNHRF-UHFFFAOYSA-N	-2	3	372.805	3.252	20	10		FGCDHL
COc1ccc(OC)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1	ZINC000738049106	600314833	/nfs/dbraw/zinc/31/48/33/600314833.db2.gz	OATISFQYVSUVJA-UHFFFAOYSA-N	-2	3	365.813	3.150	20	10		FGCDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1[O-]	ZINC000133740539	700840986	/nfs/dbraw/zinc/84/09/86/700840986.db2.gz	JGCMIEQHDQYNFC-UHFFFAOYSA-N	-2	3	363.178	3.408	20	10		FGCDHL
O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)cc1[O-]	ZINC000765754201	723538524	/nfs/dbraw/zinc/53/85/24/723538524.db2.gz	SIQXBTZNGCYMTC-UHFFFAOYSA-N	-2	3	356.603	3.444	20	10		FGCDHL
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C	ZINC000808114176	725184488	/nfs/dbraw/zinc/18/44/88/725184488.db2.gz	UCBANDKNRRKGBL-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
Cc1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc(C(=O)[O-])c1C	ZINC000775290103	723976968	/nfs/dbraw/zinc/97/69/68/723976968.db2.gz	YQFQYDRHBUSADZ-UHFFFAOYSA-N	-2	3	363.435	3.433	20	10		FGCDHL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776749048	724179199	/nfs/dbraw/zinc/17/91/99/724179199.db2.gz	VNFPWGUHGJZCAW-UHFFFAOYSA-N	-2	3	355.799	3.023	20	10		FGCDHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C	ZINC000775291159	723976853	/nfs/dbraw/zinc/97/68/53/723976853.db2.gz	BYJWEOIZZXNDFF-UHFFFAOYSA-N	-2	3	363.435	3.379	20	10		FGCDHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1OC	ZINC000808115892	725184663	/nfs/dbraw/zinc/18/46/63/725184663.db2.gz	XUSHLRJRBQUKNI-UHFFFAOYSA-N	-2	3	361.778	3.003	20	10		FGCDHL
C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000827851359	729435971	/nfs/dbraw/zinc/43/59/71/729435971.db2.gz	TWZTXMOLOSPVRL-PELKAZGASA-N	-2	3	368.758	3.074	20	10		FGCDHL
Cc1cccc2nc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cn21	ZINC000738749096	600314550	/nfs/dbraw/zinc/31/45/50/600314550.db2.gz	BAKRACLZQJFOQF-UHFFFAOYSA-N	-2	3	359.813	3.089	20	10		FGCDHL
CO[C@@H](C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1	ZINC000831500586	601354420	/nfs/dbraw/zinc/35/44/20/601354420.db2.gz	KCIZYMWPHSFSNT-JTQLQIEISA-N	-2	3	370.858	3.296	20	10		FGCDHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000323128972	713814271	/nfs/dbraw/zinc/81/42/71/713814271.db2.gz	WNKXNASKNUFCRU-UHFFFAOYSA-N	-3	3	355.799	3.161	20	10		FGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000755984460	722959346	/nfs/dbraw/zinc/95/93/46/722959346.db2.gz	KFVLVEMDIPEHHN-UHFFFAOYSA-N	-2	3	366.395	3.239	20	10		FGCDHL
O=S(=O)([N-]c1ccc([O-])cc1F)c1c(F)c(F)c(F)c(F)c1F	ZINC000758169076	722985433	/nfs/dbraw/zinc/98/54/33/722985433.db2.gz	MFIUXKYIMGXJGW-UHFFFAOYSA-N	-2	3	357.231	3.028	20	10		FGCDHL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748941	724179192	/nfs/dbraw/zinc/17/91/92/724179192.db2.gz	RGTNRQLWYBWXRR-UHFFFAOYSA-N	-2	3	356.787	3.317	20	10		FGCDHL
C[S@@](=O)(=NS(=O)(=O)[N-]c1ccc([O-])c(Cl)c1)C1CCCCC1	ZINC000882712629	737481372	/nfs/dbraw/zinc/48/13/72/737481372.db2.gz	FTGTXCMPTZGLBT-NRFANRHFSA-N	-2	3	366.892	3.133	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1[O-]	ZINC000290478590	498567697	/nfs/dbraw/zinc/56/76/97/498567697.db2.gz	HOEGYGDHKFCMHP-UHFFFAOYSA-N	-2	3	356.831	3.166	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)ccc1O	ZINC000321856001	713812582	/nfs/dbraw/zinc/81/25/82/713812582.db2.gz	IBDNUJSFYWCULT-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
O=C([O-])CN(Cc1cc(-c2ccco2)on1)Cc1cc(Cl)ccc1[O-]	ZINC000739793217	600315982	/nfs/dbraw/zinc/31/59/82/600315982.db2.gz	CQGNEYQOBPPHPB-UHFFFAOYSA-N	-2	3	362.769	3.380	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1[O-]	ZINC000825946983	601410916	/nfs/dbraw/zinc/41/09/16/601410916.db2.gz	ZUKFASOASZIOKS-UHFFFAOYSA-N	-2	3	351.786	3.480	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628936	604245644	/nfs/dbraw/zinc/24/56/44/604245644.db2.gz	ZSAPUYKJTDIYMQ-JQWIXIFHSA-N	-2	3	354.834	3.116	20	10		FGCDHL
CN(Cc1nccs1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000746388720	722600718	/nfs/dbraw/zinc/60/07/18/722600718.db2.gz	DJXDXVZKAMYEOS-UHFFFAOYSA-N	-2	3	354.431	3.417	20	10		FGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000759100670	722999542	/nfs/dbraw/zinc/99/95/42/722999542.db2.gz	FMFGVPXHCALEAB-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000790416145	723137899	/nfs/dbraw/zinc/13/78/99/723137899.db2.gz	SWDKLSBVFWKYDA-UHFFFAOYSA-N	-2	3	355.799	3.107	20	10		FGCDHL
COCCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C	ZINC000776748918	724179108	/nfs/dbraw/zinc/17/91/08/724179108.db2.gz	PTSQVJXBFJCEBQ-UHFFFAOYSA-N	-2	3	371.842	3.180	20	10		FGCDHL
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808115390	725184702	/nfs/dbraw/zinc/18/47/02/725184702.db2.gz	AMMARYOAISSVHH-UHFFFAOYSA-N	-2	3	372.805	3.334	20	10		FGCDHL
COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1[N-]S(C)(=O)=O	ZINC000186405061	495984942	/nfs/dbraw/zinc/98/49/42/495984942.db2.gz	PQDAPBZNXYEBIA-JTQLQIEISA-N	-2	3	354.403	3.085	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)c1[O-]	ZINC000825946655	601411908	/nfs/dbraw/zinc/41/19/08/601411908.db2.gz	JOSHASJGGPSFSM-MRXNPFEDSA-N	-2	3	361.781	3.100	20	10		FGCDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1C	ZINC000126120411	700744036	/nfs/dbraw/zinc/74/40/36/700744036.db2.gz	HUVBJUSJQJHUQP-UHFFFAOYSA-N	-2	3	356.787	3.371	20	10		FGCDHL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808114429	725184370	/nfs/dbraw/zinc/18/43/70/725184370.db2.gz	XVJAIOPKDQXYCD-UHFFFAOYSA-N	-2	3	373.789	3.162	20	10		FGCDHL
COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1C	ZINC000808114154	725184542	/nfs/dbraw/zinc/18/45/42/725184542.db2.gz	SBOTZJBXIAHQKS-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1Cl	ZINC000005555408	210179481	/nfs/dbraw/zinc/17/94/81/210179481.db2.gz	XNFVDTWIVFKYRR-UHFFFAOYSA-N	-2	3	363.178	3.408	20	10		FGCDHL
O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1[N+](=O)[O-]	ZINC000739793691	600143640	/nfs/dbraw/zinc/14/36/40/600143640.db2.gz	NCZSPHWPNRSTDH-UHFFFAOYSA-N	-2	3	350.758	3.041	20	10		FGCDHL
O=C([O-])CN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-]	ZINC000739796490	600145601	/nfs/dbraw/zinc/14/56/01/600145601.db2.gz	HEKYMAUVQLCSHT-UHFFFAOYSA-N	-2	3	350.758	3.041	20	10		FGCDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)sc1Br	ZINC000126307435	700746566	/nfs/dbraw/zinc/74/65/66/700746566.db2.gz	ZCSZWEFPFAPKKY-UHFFFAOYSA-N	-2	3	366.233	3.465	20	10		FGCDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000758162285	722985264	/nfs/dbraw/zinc/98/52/64/722985264.db2.gz	JJBIHQKXIXAEIW-UHFFFAOYSA-N	-3	3	364.206	3.214	20	10		FGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000790411904	723137126	/nfs/dbraw/zinc/13/71/26/723137126.db2.gz	VCHHMMWAKYPMDS-UHFFFAOYSA-N	-2	3	373.789	3.246	20	10		FGCDHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C(=O)[O-]	ZINC000775291476	723977210	/nfs/dbraw/zinc/97/72/10/723977210.db2.gz	IKCVCYMVPTXRFJ-UHFFFAOYSA-N	-2	3	363.435	3.379	20	10		FGCDHL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cc(F)c(F)c(F)c1	ZINC000808113718	725184147	/nfs/dbraw/zinc/18/41/47/725184147.db2.gz	HHOAVWQOGGABEB-UHFFFAOYSA-N	-2	3	355.696	3.403	20	10		FGCDHL
CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286595	723975855	/nfs/dbraw/zinc/97/58/55/723975855.db2.gz	YZTIWVHRULJOLD-UHFFFAOYSA-N	-2	3	366.395	3.136	20	10		FGCDHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCCCO2	ZINC000776751234	724179592	/nfs/dbraw/zinc/17/95/92/724179592.db2.gz	ROSUJWMVIGWIEI-UHFFFAOYSA-N	-2	3	355.799	3.008	20	10		FGCDHL
CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl	ZINC000901963637	743687198	/nfs/dbraw/zinc/68/71/98/743687198.db2.gz	XJOMLLYCMRJZQY-GFCCVEGCSA-N	-2	3	373.833	3.184	20	10		FGCDHL
COc1ccc(F)cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000738017675	600142997	/nfs/dbraw/zinc/14/29/97/600142997.db2.gz	LLADQEYJKAKYLD-UHFFFAOYSA-N	-2	3	353.777	3.280	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c(C)c1O	ZINC000775292185	723977722	/nfs/dbraw/zinc/97/77/22/723977722.db2.gz	UMAMRDAVAWUHKJ-UHFFFAOYSA-N	-2	3	371.361	3.095	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)ccc1O	ZINC000776747672	724178784	/nfs/dbraw/zinc/17/87/84/724178784.db2.gz	JTPMIDBDZGMSCS-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808115001	725184469	/nfs/dbraw/zinc/18/44/69/725184469.db2.gz	KUBZHMILLZWLTH-UHFFFAOYSA-N	-2	3	374.777	3.456	20	10		FGCDHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808115602	725184782	/nfs/dbraw/zinc/18/47/82/725184782.db2.gz	KRNRLDNLCIPERP-UHFFFAOYSA-N	-3	3	373.789	3.246	20	10		FGCDHL
COc1ccc([C@H](NCc2c([O-])ccc(Cl)c2F)C(=O)[O-])cc1F	ZINC000756363658	722963454	/nfs/dbraw/zinc/96/34/54/722963454.db2.gz	NNQFESWDXWQZJS-HNNXBMFYSA-N	-2	3	357.740	3.248	20	10		FGCDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)c1C(=O)[O-]	ZINC000776751912	724179601	/nfs/dbraw/zinc/17/96/01/724179601.db2.gz	XSPPMIPHKUKEES-UHFFFAOYSA-N	-3	3	355.799	3.161	20	10		FGCDHL
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnc(C2CC2)[n-]c1=O	ZINC000908212973	744270952	/nfs/dbraw/zinc/27/09/52/744270952.db2.gz	STIUSGSQTCDXSM-UHFFFAOYSA-N	-2	3	354.193	3.002	20	10		FGCDHL
COCc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c1	ZINC000290427692	498548806	/nfs/dbraw/zinc/54/88/06/498548806.db2.gz	AJKMAXAPOBESSV-UHFFFAOYSA-N	-2	3	365.451	3.264	20	10		FGCDHL
O=C([O-])Cc1sc(NC(=O)c2cc([O-])cs2)nc1-c1ccccc1	ZINC000739899260	600361580	/nfs/dbraw/zinc/36/15/80/600361580.db2.gz	HVRMCCOQUDXVRH-UHFFFAOYSA-N	-2	3	360.416	3.457	20	10		FGCDHL
Cc1nc2ccccn2c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000833007547	602327518	/nfs/dbraw/zinc/32/75/18/602327518.db2.gz	ORICONHYDOBWAJ-UHFFFAOYSA-N	-2	3	359.813	3.089	20	10		FGCDHL
COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1[N-]S(C)(=O)=O	ZINC000802642616	724394399	/nfs/dbraw/zinc/39/43/99/724394399.db2.gz	DANDUMUQCYUAEA-UHFFFAOYSA-N	-2	3	374.821	3.177	20	10		FGCDHL
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000778567729	724345585	/nfs/dbraw/zinc/34/55/85/724345585.db2.gz	JMRQFVVRSWDJKF-UHFFFAOYSA-N	-2	3	373.789	3.162	20	10		FGCDHL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc2c(c1)CCCO2	ZINC000808115223	725184594	/nfs/dbraw/zinc/18/45/94/725184594.db2.gz	TWMGWUSEDAQVPK-UHFFFAOYSA-N	-2	3	357.790	3.311	20	10		FGCDHL
COc1c(C)cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1C	ZINC000737839109	600173956	/nfs/dbraw/zinc/17/39/56/600173956.db2.gz	CLWVEPBOPLBMRR-UHFFFAOYSA-N	-2	3	364.829	3.153	20	10		FGCDHL
Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1	ZINC000758168924	722985439	/nfs/dbraw/zinc/98/54/39/722985439.db2.gz	HGBVPRDZJQPGGK-UHFFFAOYSA-N	-2	3	366.233	3.465	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1[O-]	ZINC000852736412	731627890	/nfs/dbraw/zinc/62/78/90/731627890.db2.gz	MLZJQMOQSLHNNS-KRWDZBQOSA-N	-2	3	359.809	3.432	20	10		FGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833746474	604748007	/nfs/dbraw/zinc/74/80/07/604748007.db2.gz	AJHAEDPDENMZKQ-UHFFFAOYSA-N	-2	3	367.398	3.462	20	10		FGCDHL
O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000739793624	600315451	/nfs/dbraw/zinc/31/54/51/600315451.db2.gz	IRPRICWIQGGCHS-UHFFFAOYSA-N	-2	3	368.748	3.180	20	10		FGCDHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775285797	723975725	/nfs/dbraw/zinc/97/57/25/723975725.db2.gz	CJACZXGUCOCUMQ-UHFFFAOYSA-N	-2	3	350.396	3.300	20	10		FGCDHL
CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285943	723975747	/nfs/dbraw/zinc/97/57/47/723975747.db2.gz	FQXABIUNTGZBGC-UHFFFAOYSA-N	-2	3	350.396	3.226	20	10		FGCDHL
CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776750501	724179157	/nfs/dbraw/zinc/17/91/57/724179157.db2.gz	GMOVKCYXQXBEPF-UHFFFAOYSA-N	-2	3	369.826	3.413	20	10		FGCDHL
O=C([O-])CN(Cc1ccn(C2CCCC2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000833249654	602043233	/nfs/dbraw/zinc/04/32/33/602043233.db2.gz	SMBABKFRIBKNDC-UHFFFAOYSA-N	-2	3	363.845	3.444	20	10		FGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000747618082	722652965	/nfs/dbraw/zinc/65/29/65/722652965.db2.gz	LPXVBHGQJNNGBM-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1ccc([O-])cc1F	ZINC000758171396	722985502	/nfs/dbraw/zinc/98/55/02/722985502.db2.gz	SAHSIWTVZJNSTM-UHFFFAOYSA-N	-2	3	366.345	3.267	20	10		FGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000790416315	723137741	/nfs/dbraw/zinc/13/77/41/723137741.db2.gz	UNNIHDIXEZHTAD-UHFFFAOYSA-N	-2	3	369.826	3.415	20	10		FGCDHL
O=C([O-])c1ccc(CNCc2c([O-])ccc(Cl)c2F)nc1C1CC1	ZINC000841818385	730278580	/nfs/dbraw/zinc/27/85/80/730278580.db2.gz	QRGSKUSCGFAESM-UHFFFAOYSA-N	-2	3	350.777	3.445	20	10		FGCDHL
O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)ccc2N1	ZINC000182491180	495584348	/nfs/dbraw/zinc/58/43/48/495584348.db2.gz	LLSKDDWYDLNYCT-UHFFFAOYSA-N	-2	3	366.826	3.121	20	10		FGCDHL
CC(=O)c1cc(F)cc(CN2CCC(N(CC3CC3)C(=O)[O-])CC2)c1[O-]	ZINC000823627547	604231763	/nfs/dbraw/zinc/23/17/63/604231763.db2.gz	ICHXORXLYPPRJO-UHFFFAOYSA-N	-2	3	364.417	3.088	20	10		FGCDHL
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)c1)CCC2	ZINC000776750459	724179083	/nfs/dbraw/zinc/17/90/83/724179083.db2.gz	FBZZMFROGLTGNP-UHFFFAOYSA-N	-3	3	367.810	3.033	20	10		FGCDHL
COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776748773	724179163	/nfs/dbraw/zinc/17/91/63/724179163.db2.gz	GLBBGDCCXVCGQZ-WTKPLQERSA-N	-2	3	367.810	3.033	20	10		FGCDHL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1[O-]	ZINC000133742873	700841269	/nfs/dbraw/zinc/84/12/69/700841269.db2.gz	YHTCWZMVGVBPNO-UHFFFAOYSA-N	-2	3	362.285	3.120	20	10		FGCDHL
O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1F)Cc1cc(Cl)ccc1[O-]	ZINC000833249115	601355240	/nfs/dbraw/zinc/35/52/40/601355240.db2.gz	CEXUAGQGNUFUAM-UHFFFAOYSA-N	-2	3	368.748	3.180	20	10		FGCDHL
O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cccc(Br)c1[O-]	ZINC000833193589	604467791	/nfs/dbraw/zinc/46/77/91/604467791.db2.gz	DITRBKRDVFEVCP-OAHLLOKOSA-N	-2	3	362.223	3.166	20	10		FGCDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1	ZINC000766048364	723552543	/nfs/dbraw/zinc/55/25/43/723552543.db2.gz	RTCXGMWIARDSMG-UHFFFAOYSA-N	-2	3	361.419	3.234	20	10		FGCDHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1OC	ZINC000776751935	724179751	/nfs/dbraw/zinc/17/97/51/724179751.db2.gz	ZLQMYKNKLNDLNT-UHFFFAOYSA-N	-2	3	357.815	3.172	20	10		FGCDHL
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(=O)c2ccccc2[n-]1	ZINC000813684585	726904975	/nfs/dbraw/zinc/90/49/75/726904975.db2.gz	SEEMAXWDUIBYAU-UHFFFAOYSA-N	-2	3	363.200	3.471	20	10		FGCDHL
O=C([O-])CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)ccc1[O-]	ZINC000739799507	600315525	/nfs/dbraw/zinc/31/55/25/600315525.db2.gz	RSSNDYRIANROSR-UHFFFAOYSA-N	-2	3	371.824	3.318	20	10		FGCDHL
O=S(=O)([N-]c1ccc([O-])cc1F)c1sccc1Br	ZINC000085203950	700366297	/nfs/dbraw/zinc/36/62/97/700366297.db2.gz	UJWHQBWAGOWPIX-UHFFFAOYSA-N	-2	3	352.206	3.156	20	10		FGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000794868026	723549710	/nfs/dbraw/zinc/54/97/10/723549710.db2.gz	PNUIDRBYRCPZEE-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)cc1F	ZINC000793416064	723436047	/nfs/dbraw/zinc/43/60/47/723436047.db2.gz	OQFSZASTWYNGJG-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C)c(C)c1O	ZINC000775291720	723977186	/nfs/dbraw/zinc/97/71/86/723977186.db2.gz	NYWZTADUSTVEQV-UHFFFAOYSA-N	-2	3	367.398	3.264	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c(C)c1O	ZINC000775291998	723977277	/nfs/dbraw/zinc/97/72/77/723977277.db2.gz	TYANIMIYMOIWLZ-UHFFFAOYSA-N	-2	3	363.435	3.433	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)ccc1O	ZINC000776748020	724178755	/nfs/dbraw/zinc/17/87/55/724178755.db2.gz	RRYTWESXUHCCTD-UHFFFAOYSA-N	-2	3	361.419	3.078	20	10		FGCDHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1F	ZINC000776749121	724179218	/nfs/dbraw/zinc/17/92/18/724179218.db2.gz	ZGGQRDDHIPPBHH-UHFFFAOYSA-N	-2	3	373.789	3.162	20	10		FGCDHL
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc([O-])c(F)c2)SC1=S	ZINC000270150442	497067025	/nfs/dbraw/zinc/06/70/25/497067025.db2.gz	VNBTWOYOBXSBIB-LCYFTJDESA-N	-2	3	369.439	3.378	20	10		FGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000755985842	601491998	/nfs/dbraw/zinc/49/19/98/601491998.db2.gz	PIVUKGUBDWFLML-UHFFFAOYSA-N	-2	3	367.398	3.462	20	10		FGCDHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(Cl)c1	ZINC000320676587	713811214	/nfs/dbraw/zinc/81/12/14/713811214.db2.gz	NZYREZDNVMPFMH-UHFFFAOYSA-N	-3	3	362.190	3.198	20	10		FGCDHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(C)c1F	ZINC000808113719	725184211	/nfs/dbraw/zinc/18/42/11/725184211.db2.gz	HIMWNJYRRJBVNL-UHFFFAOYSA-N	-2	3	363.769	3.442	20	10		FGCDHL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc2c(c1)OCCCO2	ZINC000808114432	725184496	/nfs/dbraw/zinc/18/44/96/725184496.db2.gz	XYMQSTFYVGKPBL-UHFFFAOYSA-N	-2	3	373.789	3.147	20	10		FGCDHL
COc1ccc(N[C@H](C)c2ccc(F)c(F)c2[O-])cc1[N-]S(C)(=O)=O	ZINC000187886841	496608399	/nfs/dbraw/zinc/60/83/99/496608399.db2.gz	XYHYJCSFQSTZEA-SECBINFHSA-N	-2	3	372.393	3.224	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1[O-]	ZINC000290526219	498585564	/nfs/dbraw/zinc/58/55/64/498585564.db2.gz	NKPOUSNAZMMVJZ-UHFFFAOYSA-N	-2	3	366.395	3.026	20	10		FGCDHL
Cc1cccn2cc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])nc12	ZINC000738786357	600315223	/nfs/dbraw/zinc/31/52/23/600315223.db2.gz	OFUFADWCIPTMQA-UHFFFAOYSA-N	-2	3	359.813	3.089	20	10		FGCDHL
Cc1ccc2nc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cn2c1	ZINC000832959205	601532994	/nfs/dbraw/zinc/53/29/94/601532994.db2.gz	DDFCEIJRXDMANL-UHFFFAOYSA-N	-2	3	359.813	3.089	20	10		FGCDHL
O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)ccc1[O-]	ZINC000765753707	723538226	/nfs/dbraw/zinc/53/82/26/723538226.db2.gz	PFCKZHNBOAXRSU-UHFFFAOYSA-N	-2	3	356.603	3.444	20	10		FGCDHL
C[S@](=O)(=NS(=O)(=O)[N-]c1ccc([O-])c(Cl)c1)C1CCCCC1	ZINC000882712630	737481326	/nfs/dbraw/zinc/48/13/26/737481326.db2.gz	FTGTXCMPTZGLBT-OAQYLSRUSA-N	-2	3	366.892	3.133	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)c1[O-]	ZINC000825946654	601411901	/nfs/dbraw/zinc/41/19/01/601411901.db2.gz	JOSHASJGGPSFSM-INIZCTEOSA-N	-2	3	361.781	3.100	20	10		FGCDHL
COc1cccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1OC	ZINC000833735061	604637347	/nfs/dbraw/zinc/63/73/47/604637347.db2.gz	BYKYRONTYGTANM-UHFFFAOYSA-N	-2	3	365.813	3.150	20	10		FGCDHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000322910794	713813964	/nfs/dbraw/zinc/81/39/64/713813964.db2.gz	SLBUPPWILABQEN-UHFFFAOYSA-N	-3	3	355.799	3.107	20	10		FGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2	ZINC000743260100	722565350	/nfs/dbraw/zinc/56/53/50/722565350.db2.gz	VLJMREMRJCLJDY-UHFFFAOYSA-N	-2	3	361.419	3.078	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1[O-]	ZINC000290574177	498605514	/nfs/dbraw/zinc/60/55/14/498605514.db2.gz	UQZSHSJARWTGAP-UHFFFAOYSA-N	-2	3	356.831	3.166	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c(C)c1O	ZINC000775292188	723977706	/nfs/dbraw/zinc/97/77/06/723977706.db2.gz	USDIYFDNNZOPRS-UHFFFAOYSA-N	-2	3	369.826	3.470	20	10		FGCDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc(C(=O)[O-])c1C	ZINC000776748668	724179244	/nfs/dbraw/zinc/17/92/44/724179244.db2.gz	BGEDRMQRILHLDW-UHFFFAOYSA-N	-3	3	355.799	3.161	20	10		FGCDHL
CCCCn1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)c(C)n1	ZINC000901963924	743687770	/nfs/dbraw/zinc/68/77/70/743687770.db2.gz	ZWHXWGKTMWJGTG-UHFFFAOYSA-N	-2	3	361.826	3.291	20	10		FGCDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000322901504	713813916	/nfs/dbraw/zinc/81/39/16/713813916.db2.gz	PUOIJCOPOAFTAQ-UHFFFAOYSA-N	-3	3	355.799	3.107	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C)c(C)c1O	ZINC000775287162	723976245	/nfs/dbraw/zinc/97/62/45/723976245.db2.gz	DZGHXWMXIWKRKN-UHFFFAOYSA-N	-2	3	366.395	3.040	20	10		FGCDHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c(C)c1C(=O)[O-]	ZINC000775292210	723977743	/nfs/dbraw/zinc/97/77/43/723977743.db2.gz	VVXIWYCMBTYKIF-UHFFFAOYSA-N	-2	3	363.435	3.433	20	10		FGCDHL
Cc1nc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])sc1C	ZINC000805135916	725052314	/nfs/dbraw/zinc/05/23/14/725052314.db2.gz	VZJUQMLJLSGTDN-UHFFFAOYSA-N	-2	3	367.279	3.251	20	10		FGCDHL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113924	725184549	/nfs/dbraw/zinc/18/45/49/725184549.db2.gz	MIYNNBDMCWIBDF-UHFFFAOYSA-N	-3	3	365.791	3.054	20	10		FGCDHL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000003106793	695536999	/nfs/dbraw/zinc/53/69/99/695536999.db2.gz	FUSWJFJHTGUGHV-UHFFFAOYSA-N	-2	3	356.787	3.025	20	10		FGCDHL
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc2O1	ZINC000808114347	725184443	/nfs/dbraw/zinc/18/44/43/725184443.db2.gz	WCTOUVQRJBYWKG-MRVPVSSYSA-N	-2	3	357.790	3.309	20	10		FGCDHL
COCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808114464	725184510	/nfs/dbraw/zinc/18/45/10/725184510.db2.gz	ZKZVRAFNYGOXFA-UHFFFAOYSA-N	-2	3	359.806	3.174	20	10		FGCDHL
Cc1nc2ccccc2nc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000738875497	600506256	/nfs/dbraw/zinc/50/62/56/600506256.db2.gz	ALAYDGBNWTYSSS-UHFFFAOYSA-N	-2	3	371.824	3.384	20	10		FGCDHL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccc2c(c1)CCO2	ZINC000120439430	700654580	/nfs/dbraw/zinc/65/45/80/700654580.db2.gz	JOFWLZFKVRBUSV-UHFFFAOYSA-N	-2	3	360.218	3.435	20	10		FGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000790410702	723136626	/nfs/dbraw/zinc/13/66/26/723136626.db2.gz	AWVKDQDEDUQVAT-UHFFFAOYSA-N	-2	3	369.826	3.415	20	10		FGCDHL
O=C(NCc1cccc(Br)c1[O-])c1ccc([O-])c(Cl)c1	ZINC000765731752	723536025	/nfs/dbraw/zinc/53/60/25/723536025.db2.gz	MLQAANWGLKUIBT-UHFFFAOYSA-N	-2	3	356.603	3.444	20	10		FGCDHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000788491858	725067629	/nfs/dbraw/zinc/06/76/29/725067629.db2.gz	FYAGLUONSPRWQE-UHFFFAOYSA-N	-2	3	372.786	3.072	20	10		FGCDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1CC	ZINC000753522746	722902817	/nfs/dbraw/zinc/90/28/17/722902817.db2.gz	SVKOEWZVKSFGNQ-UHFFFAOYSA-N	-2	3	350.396	3.226	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c(C)c1O	ZINC000775291683	723977323	/nfs/dbraw/zinc/97/73/23/723977323.db2.gz	NRAGTQQSYCABAD-UHFFFAOYSA-N	-2	3	369.826	3.470	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1[O-]	ZINC000825946568	601411022	/nfs/dbraw/zinc/41/10/22/601411022.db2.gz	FFVKISBUSWOOBV-KRWDZBQOSA-N	-2	3	359.809	3.260	20	10		FGCDHL
O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cccc(Br)c1[O-]	ZINC000833193588	604468114	/nfs/dbraw/zinc/46/81/14/604468114.db2.gz	DITRBKRDVFEVCP-HNNXBMFYSA-N	-2	3	362.223	3.166	20	10		FGCDHL
COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776748772	724179268	/nfs/dbraw/zinc/17/92/68/724179268.db2.gz	GLBBGDCCXVCGQZ-RUDMXATFSA-N	-2	3	367.810	3.033	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1[O-]	ZINC000852736414	731628111	/nfs/dbraw/zinc/62/81/11/731628111.db2.gz	MLZJQMOQSLHNNS-QGZVFWFLSA-N	-2	3	359.809	3.432	20	10		FGCDHL
O=S(=O)([N-]c1ccc([O-])c(F)c1F)C1(COCc2ccccc2)CC1	ZINC000882737754	737485393	/nfs/dbraw/zinc/48/53/93/737485393.db2.gz	VSDYFHFDXVZZLZ-UHFFFAOYSA-N	-2	3	369.389	3.162	20	10		FGCDHL
O=S(=O)([N-]c1cc(F)c([O-])cc1Cl)c1cnn(C2CCCC2)c1	ZINC000901962969	743687170	/nfs/dbraw/zinc/68/71/70/743687170.db2.gz	OICQRMZKZGFNQZ-UHFFFAOYSA-N	-2	3	359.810	3.297	20	10		FGCDHL
CC(C)(C)n1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cn1	ZINC000833452658	604636215	/nfs/dbraw/zinc/63/62/15/604636215.db2.gz	DXTKQRKQPQRXRP-UHFFFAOYSA-N	-2	3	351.834	3.084	20	10		FGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768507356	723659520	/nfs/dbraw/zinc/65/95/20/723659520.db2.gz	GBGAZSXISHCJSK-UHFFFAOYSA-N	-2	3	367.398	3.462	20	10		FGCDHL
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(C)c1	ZINC000808114420	725184429	/nfs/dbraw/zinc/18/44/29/725184429.db2.gz	XNVJJTSSISWJJH-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
O=C(NCc1cccc(Br)c1[O-])c1c(F)ccc([O-])c1F	ZINC000809797692	725269268	/nfs/dbraw/zinc/26/92/68/725269268.db2.gz	BVGZYJHZRWSHFE-UHFFFAOYSA-N	-2	3	358.138	3.069	20	10		FGCDHL
Cn1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)c(C(C)(C)C)n1	ZINC000901963647	743687922	/nfs/dbraw/zinc/68/79/22/743687922.db2.gz	XPXCDPOIUPNAEY-UHFFFAOYSA-N	-2	3	361.826	3.017	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c(C)c1O	ZINC000274779930	497164357	/nfs/dbraw/zinc/16/43/57/497164357.db2.gz	KOGIOSZHKQSVEJ-UHFFFAOYSA-N	-2	3	363.435	3.135	20	10		FGCDHL
CC(C)CCc1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1	ZINC000826864923	601005642	/nfs/dbraw/zinc/00/56/42/601005642.db2.gz	BMJIZNUJNITCHA-UHFFFAOYSA-N	-2	3	367.833	3.104	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628938	604245445	/nfs/dbraw/zinc/24/54/45/604245445.db2.gz	ZSAPUYKJTDIYMQ-ZYHUDNBSSA-N	-2	3	354.834	3.116	20	10		FGCDHL
O=S(=O)([N-]c1ccc([O-])cc1F)c1csc(-c2ccccc2)n1	ZINC000758171082	722985480	/nfs/dbraw/zinc/98/54/80/722985480.db2.gz	RFFAUJYWKLFKGI-UHFFFAOYSA-N	-2	3	350.396	3.456	20	10		FGCDHL
CSc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000775285964	723975889	/nfs/dbraw/zinc/97/58/89/723975889.db2.gz	GNXQISBERBEYOK-UHFFFAOYSA-N	-2	3	374.827	3.477	20	10		FGCDHL
COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748670	724179045	/nfs/dbraw/zinc/17/90/45/724179045.db2.gz	BPQFYZOUZKTJQG-UHFFFAOYSA-N	-2	3	369.826	3.250	20	10		FGCDHL
CO[C@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C1CCCC1	ZINC000901962729	743687192	/nfs/dbraw/zinc/68/71/92/743687192.db2.gz	LNFDOPKWLHANEY-CQSZACIVSA-N	-2	3	351.827	3.132	20	10		FGCDHL
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl	ZINC000901962750	743687240	/nfs/dbraw/zinc/68/72/40/743687240.db2.gz	MJNSJKBDESKOIX-UHFFFAOYSA-N	-2	3	361.826	3.380	20	10		FGCDHL
O=c1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)[n-]c2ccsc21	ZINC000070976332	494076946	/nfs/dbraw/zinc/07/69/46/494076946.db2.gz	JRISNPJWKTUTOP-AWEZNQCLSA-N	-2	3	371.462	3.284	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1[O-]	ZINC000290449698	498557403	/nfs/dbraw/zinc/55/74/03/498557403.db2.gz	CXSWRCVFXMIJMK-UHFFFAOYSA-N	-2	3	366.395	3.026	20	10		FGCDHL
COc1ccsc1S(=O)(=O)[N-]c1ccc([O-])c(COC(C)C)c1	ZINC000290543949	498591532	/nfs/dbraw/zinc/59/15/32/498591532.db2.gz	PNFZPWARLZDKKF-UHFFFAOYSA-N	-2	3	357.453	3.188	20	10		FGCDHL
O=C([O-])CN(Cc1csc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-]	ZINC000739799375	600145622	/nfs/dbraw/zinc/14/56/22/600145622.db2.gz	CIEGEZBBGCXYKB-UHFFFAOYSA-N	-2	3	356.787	3.102	20	10		FGCDHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000322063703	713813021	/nfs/dbraw/zinc/81/30/21/713813021.db2.gz	PGPKOQGUNVXSOZ-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000769866701	723698329	/nfs/dbraw/zinc/69/83/29/723698329.db2.gz	ZTTDSBLMZHKVBH-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808114066	725184521	/nfs/dbraw/zinc/18/45/21/725184521.db2.gz	PHWWDNIZPLAMPY-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1O	ZINC000829973854	729526974	/nfs/dbraw/zinc/52/69/74/729526974.db2.gz	OCLISZQRJRSNNK-UHFFFAOYSA-N	-2	3	371.842	3.477	20	10		FGCDHL
CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl	ZINC000901963638	743687782	/nfs/dbraw/zinc/68/77/82/743687782.db2.gz	XJOMLLYCMRJZQY-LBPRGKRZSA-N	-2	3	373.833	3.184	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN(C)c2ccc(OCC(=O)[O-])cc2)c1[O-]	ZINC000833400591	605436838	/nfs/dbraw/zinc/43/68/38/605436838.db2.gz	IPVOASADNSQQQH-UHFFFAOYSA-N	-2	3	363.797	3.348	20	10		FGCDHL
COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1[N-]S(C)(=O)=O	ZINC000186405078	495984576	/nfs/dbraw/zinc/98/45/76/495984576.db2.gz	PQDAPBZNXYEBIA-SNVBAGLBSA-N	-2	3	354.403	3.085	20	10		FGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000268010187	497658261	/nfs/dbraw/zinc/65/82/61/497658261.db2.gz	QRRACWOHHSRVTA-UHFFFAOYSA-N	-2	3	363.435	3.252	20	10		FGCDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1C	ZINC000322788460	713813373	/nfs/dbraw/zinc/81/33/73/713813373.db2.gz	LGUJMRSXILZSBU-UHFFFAOYSA-N	-3	3	355.799	3.161	20	10		FGCDHL
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1	ZINC000795348563	723584143	/nfs/dbraw/zinc/58/41/43/723584143.db2.gz	OSQRBQKODGFMKL-UHFFFAOYSA-N	-2	3	364.713	3.033	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)ccc1O	ZINC000776748384	724178638	/nfs/dbraw/zinc/17/86/38/724178638.db2.gz	FJBLQWDUZKALBJ-UHFFFAOYSA-N	-2	3	355.799	3.161	20	10		FGCDHL
O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(F)cc1F	ZINC000805135815	725052421	/nfs/dbraw/zinc/05/24/21/725052421.db2.gz	UHKOWFIWIOKJLO-UHFFFAOYSA-N	-2	3	368.188	3.456	20	10		FGCDHL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808113735	725184193	/nfs/dbraw/zinc/18/41/93/725184193.db2.gz	HXSNBXCMGQGSKP-UHFFFAOYSA-N	-2	3	374.777	3.164	20	10		FGCDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1C	ZINC000808115430	725184696	/nfs/dbraw/zinc/18/46/96/725184696.db2.gz	CQOOWZFKJHKVGE-UHFFFAOYSA-N	-3	3	373.789	3.301	20	10		FGCDHL
O=c1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)[n-]c2ccsc21	ZINC000070976334	494077168	/nfs/dbraw/zinc/07/71/68/494077168.db2.gz	JRISNPJWKTUTOP-CQSZACIVSA-N	-2	3	371.462	3.284	20	10		FGCDHL
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n1	ZINC000378559838	499531644	/nfs/dbraw/zinc/53/16/44/499531644.db2.gz	QWTPSHLZMFPPNS-UHFFFAOYSA-N	-2	3	351.362	3.130	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1[O-]	ZINC000823628220	603963020	/nfs/dbraw/zinc/96/30/20/603963020.db2.gz	NIDKFSDLTYNBAZ-SNVBAGLBSA-N	-2	3	354.834	3.116	20	10		FGCDHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1C	ZINC000795343408	723583534	/nfs/dbraw/zinc/58/35/34/723583534.db2.gz	KBRHVGFMXCBUJI-UHFFFAOYSA-N	-2	3	369.826	3.332	20	10		FGCDHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(C)c1C(=O)[O-]	ZINC000808114434	725184384	/nfs/dbraw/zinc/18/43/84/725184384.db2.gz	XZIRAXBUHUDQKJ-UHFFFAOYSA-N	-3	3	373.789	3.301	20	10		FGCDHL
COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808115557	725184774	/nfs/dbraw/zinc/18/47/74/725184774.db2.gz	JAJYIYIRBVGSDC-UHFFFAOYSA-N	-2	3	361.778	3.003	20	10		FGCDHL
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000773250282	723780052	/nfs/dbraw/zinc/78/00/52/723780052.db2.gz	BCXUPEIHOFRMEN-UHFFFAOYSA-N	-2	3	373.427	3.389	20	10		FGCDHL
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000775287521	723976185	/nfs/dbraw/zinc/97/61/85/723976185.db2.gz	BMGTUASTNADDBH-UHFFFAOYSA-N	-2	3	350.396	3.335	20	10		FGCDHL
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776751208	724179538	/nfs/dbraw/zinc/17/95/38/724179538.db2.gz	QWGKCPZJCSVZEU-UHFFFAOYSA-N	-2	3	355.799	3.023	20	10		FGCDHL
CCc1ncc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])s1	ZINC000805134603	725051921	/nfs/dbraw/zinc/05/19/21/725051921.db2.gz	DMSLEIZTWOGBMT-UHFFFAOYSA-N	-2	3	367.279	3.196	20	10		FGCDHL
O=c1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc2o1	ZINC000808114785	725184418	/nfs/dbraw/zinc/18/44/18/725184418.db2.gz	HISKSODCBKSKGH-UHFFFAOYSA-N	-2	3	369.757	3.092	20	10		FGCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000832900304	601493408	/nfs/dbraw/zinc/49/34/08/601493408.db2.gz	WJMLOUQYPYVMGI-UHFFFAOYSA-N	-2	3	365.407	3.029	20	10		FGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000790415478	723137917	/nfs/dbraw/zinc/13/79/17/723137917.db2.gz	GGJMNFNKTDGOPH-UHFFFAOYSA-N	-2	3	369.826	3.415	20	10		FGCDHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1[N+](=O)[O-]	ZINC000808113774	725184464	/nfs/dbraw/zinc/18/44/64/725184464.db2.gz	IYEFJUZPAXPPFH-UHFFFAOYSA-N	-2	3	360.750	3.202	20	10		FGCDHL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1	ZINC000327888893	600423510	/nfs/dbraw/zinc/42/35/10/600423510.db2.gz	FAIPANUHOKHXKZ-UHFFFAOYSA-N	-2	3	360.435	3.094	20	10		FGCDHL
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000834161613	605609874	/nfs/dbraw/zinc/60/98/74/605609874.db2.gz	BTIFLDVNZFXHQY-YHWZYXNKSA-N	-2	3	369.805	3.107	20	10		FGCDHL
Cc1c(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cccc1-c1nnn[n-]1	ZINC000826242224	609485631	/nfs/dbraw/zinc/48/56/31/609485631.db2.gz	GBTIDZCCKJHBAV-UHFFFAOYSA-N	-2	3	360.761	3.054	20	10		FGCDHL
Cc1c(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cccc1-c1nn[n-]n1	ZINC000826242224	609485632	/nfs/dbraw/zinc/48/56/32/609485632.db2.gz	GBTIDZCCKJHBAV-UHFFFAOYSA-N	-2	3	360.761	3.054	20	10		FGCDHL
CN(Cc1cscn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000170841941	705363460	/nfs/dbraw/zinc/36/34/60/705363460.db2.gz	UUIQCNRJRSGZJA-UHFFFAOYSA-N	-2	3	354.431	3.417	20	10		FGCDHL
COc1ccc([C@@H](NCc2c([O-])ccc(Cl)c2F)C(=O)[O-])cc1F	ZINC000756363662	722963413	/nfs/dbraw/zinc/96/34/13/722963413.db2.gz	NNQFESWDXWQZJS-OAHLLOKOSA-N	-2	3	357.740	3.248	20	10		FGCDHL
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)ccc1C	ZINC000808113971	725184482	/nfs/dbraw/zinc/18/44/82/725184482.db2.gz	OOJOANYFZYSXIB-UHFFFAOYSA-N	-2	3	373.789	3.081	20	10		FGCDHL
O=C([O-])CN(Cc1nc2cc(F)ccc2o1)Cc1cc(Cl)ccc1[O-]	ZINC000833249050	601634779	/nfs/dbraw/zinc/63/47/79/601634779.db2.gz	WEGGCPYSYRWPRH-UHFFFAOYSA-N	-2	3	364.760	3.413	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628935	604245809	/nfs/dbraw/zinc/24/58/09/604245809.db2.gz	ZSAPUYKJTDIYMQ-CMPLNLGQSA-N	-2	3	354.834	3.116	20	10		FGCDHL
CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753014051	722881496	/nfs/dbraw/zinc/88/14/96/722881496.db2.gz	DPHZGNZEDAHLDJ-UHFFFAOYSA-N	-2	3	360.357	3.431	20	10		FGCDHL
CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C1CCCC1	ZINC000901962728	743687299	/nfs/dbraw/zinc/68/72/99/743687299.db2.gz	LNFDOPKWLHANEY-AWEZNQCLSA-N	-2	3	351.827	3.132	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000290588132	498610296	/nfs/dbraw/zinc/61/02/96/498610296.db2.gz	WWHIQIRLMYHNCW-UHFFFAOYSA-N	-2	3	366.395	3.026	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1[O-]	ZINC000823628937	604245715	/nfs/dbraw/zinc/24/57/15/604245715.db2.gz	ZSAPUYKJTDIYMQ-PWSUYJOCSA-N	-2	3	354.834	3.116	20	10		FGCDHL
O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cccc(O)c1[O-]	ZINC000790911991	723192444	/nfs/dbraw/zinc/19/24/44/723192444.db2.gz	XSUNDWKLAGIJNE-UHFFFAOYSA-N	-2	3	358.575	3.472	20	10		FGCDHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C(=O)[O-]	ZINC000808114132	725184357	/nfs/dbraw/zinc/18/43/57/725184357.db2.gz	RJYYJZRKHHYQAN-UHFFFAOYSA-N	-3	3	373.789	3.301	20	10		FGCDHL
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)ccc2O1	ZINC000808114357	725184503	/nfs/dbraw/zinc/18/45/03/725184503.db2.gz	WCTOUVQRJBYWKG-QMMMGPOBSA-N	-2	3	357.790	3.309	20	10		FGCDHL
Cn1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)c(C2CCCC2)n1	ZINC000901963915	743687735	/nfs/dbraw/zinc/68/77/35/743687735.db2.gz	ZTLGYAUYWXYQPM-UHFFFAOYSA-N	-2	3	373.837	3.377	20	10		FGCDHL
COc1cc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)ccc1F	ZINC000290446168	498556201	/nfs/dbraw/zinc/55/62/01/498556201.db2.gz	CNSAESHNFVZECU-UHFFFAOYSA-N	-2	3	369.414	3.266	20	10		FGCDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)ccc1[O-]	ZINC000290503271	498577264	/nfs/dbraw/zinc/57/72/64/498577264.db2.gz	KUQOGPAUPYGCCV-UHFFFAOYSA-N	-2	3	374.821	3.306	20	10		FGCDHL
COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2[O-])cc1[N-]S(C)(=O)=O	ZINC000187886813	496608456	/nfs/dbraw/zinc/60/84/56/496608456.db2.gz	XYHYJCSFQSTZEA-VIFPVBQESA-N	-2	3	372.393	3.224	20	10		FGCDHL
CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000776750743	724179702	/nfs/dbraw/zinc/17/97/02/724179702.db2.gz	KSYUBOXUVDYGCJ-UHFFFAOYSA-N	-2	3	371.842	3.262	20	10		FGCDHL
O=C([O-])CN(CC(=O)c1c[nH]c2ccccc12)Cc1cc(Cl)ccc1[O-]	ZINC000739783886	600145130	/nfs/dbraw/zinc/14/51/30/600145130.db2.gz	UWUALNXUQZKWOX-UHFFFAOYSA-N	-2	3	372.808	3.296	20	10		FGCDHL
O=C([O-])CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000739799348	600315766	/nfs/dbraw/zinc/31/57/66/600315766.db2.gz	AVFRMEOMPROQPV-UHFFFAOYSA-N	-2	3	371.824	3.318	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1[O-]	ZINC000825946569	601410970	/nfs/dbraw/zinc/41/09/70/601410970.db2.gz	FFVKISBUSWOOBV-QGZVFWFLSA-N	-2	3	359.809	3.260	20	10		FGCDHL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000775288127	723976163	/nfs/dbraw/zinc/97/61/63/723976163.db2.gz	KVDUHBSZMVKLGS-UHFFFAOYSA-N	-2	3	366.395	3.197	20	10		FGCDHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775288521	723976557	/nfs/dbraw/zinc/97/65/57/723976557.db2.gz	PCEPRFQHZCAGMT-UHFFFAOYSA-N	-2	3	350.396	3.399	20	10		FGCDHL
CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1[O-]	ZINC000286318438	498361628	/nfs/dbraw/zinc/36/16/28/498361628.db2.gz	XUCKUDFAXCAUFL-AWEZNQCLSA-N	-2	3	368.430	3.475	20	10		FGCDHL
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000794875810	723549879	/nfs/dbraw/zinc/54/98/79/723549879.db2.gz	ZOKZGUSBTVBUFO-UHFFFAOYSA-N	-2	3	369.826	3.415	20	10		FGCDHL
CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000807837599	725171822	/nfs/dbraw/zinc/17/18/22/725171822.db2.gz	XGEUPOGXJCVSDE-UHFFFAOYSA-N	-2	3	369.204	3.293	20	10		FGCDHL
Cc1nc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)s1	ZINC000290442404	498554918	/nfs/dbraw/zinc/55/49/18/498554918.db2.gz	CBEITXABTNCETM-UHFFFAOYSA-N	-2	3	356.469	3.191	20	10		FGCDHL
Cc1oc2c(ccc([O-])c2CN(C)[C@@H](C)C(=O)[O-])c(=O)c1-c1ccccc1	ZINC000819051416	597483876	/nfs/dbraw/zinc/48/38/76/597483876.db2.gz	SMOLFJUSQWKTSV-LBPRGKRZSA-N	-2	3	367.401	3.379	20	10		FGCDHL
Cc1oc2c(ccc([O-])c2CN(C)[C@H](C)C(=O)[O-])c(=O)c1-c1ccccc1	ZINC000819051415	597484102	/nfs/dbraw/zinc/48/41/02/597484102.db2.gz	SMOLFJUSQWKTSV-GFCCVEGCSA-N	-2	3	367.401	3.379	20	10		FGCDHL
Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2ccccc12	ZINC000738855234	600314709	/nfs/dbraw/zinc/31/47/09/600314709.db2.gz	NQLAKXBRARYZMB-UHFFFAOYSA-N	-2	3	371.824	3.384	20	10		FGCDHL
Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1O	ZINC000326844239	713820849	/nfs/dbraw/zinc/82/08/49/713820849.db2.gz	OHCQPNGJJSUVDL-UHFFFAOYSA-N	-2	3	363.435	3.054	20	10		FGCDHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1	ZINC000808115913	725184745	/nfs/dbraw/zinc/18/47/45/725184745.db2.gz	YTBSYJRUSHLFJJ-UHFFFAOYSA-N	-3	3	373.789	3.003	20	10		FGCDHL
CC(=O)c1cc(Cl)cc(CN2CCC([C@H](C)NC(=O)[O-])CC2)c1[O-]	ZINC000823628219	603962837	/nfs/dbraw/zinc/96/28/37/603962837.db2.gz	NIDKFSDLTYNBAZ-JTQLQIEISA-N	-2	3	354.834	3.116	20	10		FGCDHL
O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1cc(F)ccc1F	ZINC000805134672	725052048	/nfs/dbraw/zinc/05/20/48/725052048.db2.gz	GBPAHAOORPNJOJ-UHFFFAOYSA-N	-2	3	368.188	3.456	20	10		FGCDHL
COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc(OC)c1[O-]	ZINC000807837659	725171911	/nfs/dbraw/zinc/17/19/11/725171911.db2.gz	ZMOZPBXUHGSTHJ-UHFFFAOYSA-N	-2	3	372.204	3.352	20	10		FGCDHL
CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C(=O)[O-]	ZINC000808113482	725184128	/nfs/dbraw/zinc/18/41/28/725184128.db2.gz	AGOPDNGSPIDWBQ-UHFFFAOYSA-N	-3	3	373.789	3.246	20	10		FGCDHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cc1OCC	ZINC000830185218	729541821	/nfs/dbraw/zinc/54/18/21/729541821.db2.gz	WZLWNDBJUPLYNK-UHFFFAOYSA-N	-2	3	373.377	3.269	20	10		FGCDHL