smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N(CCS(C)(=O)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093707700	542939521	/nfs/dbraw/zinc/93/95/21/542939521.db2.gz	PZQOIUHBRWPCCX-UHFFFAOYSA-N	-1	0	350.824	2.209	20	10		FECDRM
C[C@@H](CN1CCOCC1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000804917463	674306533	/nfs/dbraw/zinc/30/65/33/674306533.db2.gz	PQYIUOSBBBHHNZ-JTQLQIEISA-N	-1	0	362.257	2.219	20	10		FECDRM
CCn1nccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135995	674321802	/nfs/dbraw/zinc/32/18/02/674321802.db2.gz	YLALPUBEGUAWRG-UHFFFAOYSA-N	-1	0	350.227	2.394	20	10		FECDRM
CC(=O)OCCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135013	674321853	/nfs/dbraw/zinc/32/18/53/674321853.db2.gz	DPXVQVNCNBLEJF-UHFFFAOYSA-N	-1	0	356.227	2.072	20	10		FECDRM
CCn1c2nc(C(C)C)cc(C(=O)Nc3ccc(N)cc3)c2c(=O)[nH]c1=O	ZINC000269136510	550159112	/nfs/dbraw/zinc/15/91/12/550159112.db2.gz	RAHLAZKVSUMFAY-UHFFFAOYSA-N	-1	0	367.409	2.475	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F	ZINC000295190576	552968019	/nfs/dbraw/zinc/96/80/19/552968019.db2.gz	KWWSFSAPIGSMKC-UHFFFAOYSA-N	-1	0	365.333	2.344	20	10		FECDRM
CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000378345280	558534855	/nfs/dbraw/zinc/53/48/55/558534855.db2.gz	IRASFOGETUAZEF-LLVKDONJSA-N	-1	0	353.271	2.213	20	10		FECDRM
O=C([O-])CNC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F	ZINC000821535496	597755612	/nfs/dbraw/zinc/75/56/12/597755612.db2.gz	WWTSKFLBBQEFAS-UHFFFAOYSA-N	-1	0	373.356	2.405	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)[O-])cn3)CC2)cc1	ZINC000738023071	599837666	/nfs/dbraw/zinc/83/76/66/599837666.db2.gz	QVNGAUPSWYSBDH-UHFFFAOYSA-N	-1	0	355.394	2.187	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)c3cccc(C(=O)[O-])n3)CC2)cc1	ZINC000738022131	599837833	/nfs/dbraw/zinc/83/78/33/599837833.db2.gz	LMPNHTOCWZISEI-UHFFFAOYSA-N	-1	0	355.394	2.187	20	10		FECDRM
C[C@H]1C[C@H](C)CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000736749016	600313690	/nfs/dbraw/zinc/31/36/90/600313690.db2.gz	HUWXVPDJLFYJEM-STQMWFEESA-N	-1	0	368.861	2.437	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000738402292	600326976	/nfs/dbraw/zinc/32/69/76/600326976.db2.gz	NXIOREOOKWNWGJ-UHFFFAOYSA-N	-1	0	373.384	2.153	20	10		FECDRM
O=C([O-])c1ccsc1N1CC[C@H](OC(=O)C2=CC(=O)CS2)C1=O	ZINC000833350512	600667282	/nfs/dbraw/zinc/66/72/82/600667282.db2.gz	YUNUDICCYFZEQP-VIFPVBQESA-N	-1	0	353.377	2.176	20	10		FECDRM
CO[C@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1	ZINC000831505164	601354382	/nfs/dbraw/zinc/35/43/82/601354382.db2.gz	HVMZPRAQXVROIO-SECBINFHSA-N	-1	0	355.778	2.223	20	10		FECDRM
COC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-]	ZINC000262058909	601695584	/nfs/dbraw/zinc/69/55/84/601695584.db2.gz	GVKJSTAZGOYCBL-LJQANCHMSA-N	-1	0	360.410	2.322	20	10		FECDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000739224049	602139413	/nfs/dbraw/zinc/13/94/13/602139413.db2.gz	AYGWENJAHVFMQJ-GRDNDAEWSA-N	-1	0	363.458	2.383	20	10		FECDRM
C[C@@H](CC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000827279086	602141026	/nfs/dbraw/zinc/14/10/26/602141026.db2.gz	AEVDIPXSYDSOTD-NSHDSACASA-N	-1	0	356.369	2.484	20	10		FECDRM
CCN(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000739431907	602440256	/nfs/dbraw/zinc/44/02/56/602440256.db2.gz	VFFPEPAECFUBND-UHFFFAOYSA-N	-1	0	366.487	2.039	20	10		FECDRM
O=C([O-])N1CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000740449946	602502347	/nfs/dbraw/zinc/50/23/47/602502347.db2.gz	CRWFWVLQFFLEKX-INIZCTEOSA-N	-1	0	363.483	2.389	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1F	ZINC000737955474	602562676	/nfs/dbraw/zinc/56/26/76/602562676.db2.gz	QRLGZKFUKRODPK-UHFFFAOYSA-N	-1	0	352.410	2.176	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739141065	602838439	/nfs/dbraw/zinc/83/84/39/602838439.db2.gz	NKQWUUNFBSFDAQ-WMLDXEAASA-N	-1	0	358.442	2.250	20	10		FECDRM
O=C([O-])N(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	ZINC000740426628	602934415	/nfs/dbraw/zinc/93/44/15/602934415.db2.gz	AYSCYZMGVVBPBF-UHFFFAOYSA-N	-1	0	358.442	2.395	20	10		FECDRM
O=C([O-])NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740622424	602944794	/nfs/dbraw/zinc/94/47/94/602944794.db2.gz	BHRKZXCNDHAPNH-INIZCTEOSA-N	-1	0	358.442	2.252	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)N1C(=O)[O-]	ZINC000739136870	602961237	/nfs/dbraw/zinc/96/12/37/602961237.db2.gz	GFXHZBBWYZFRCS-TXEJJXNPSA-N	-1	0	352.410	2.174	20	10		FECDRM
COc1ccc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1	ZINC000829339641	603031532	/nfs/dbraw/zinc/03/15/32/603031532.db2.gz	AJQWVBAYOINRIF-GOSISDBHSA-N	-1	0	371.437	2.429	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cccnc2)NC(=O)[O-])cc1	ZINC000828063531	603034129	/nfs/dbraw/zinc/03/41/29/603034129.db2.gz	GLXVSMIWROEXBE-VTGFLYEISA-N	-1	0	354.410	2.286	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829424911	603501843	/nfs/dbraw/zinc/50/18/43/603501843.db2.gz	UXTYILHDJNEHNJ-LSDHHAIUSA-N	-1	0	361.442	2.170	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829424907	603501973	/nfs/dbraw/zinc/50/19/73/603501973.db2.gz	UXTYILHDJNEHNJ-CABCVRRESA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2O)NC(=O)[O-])cc1	ZINC000828064196	603931912	/nfs/dbraw/zinc/93/19/12/603931912.db2.gz	NRZJOOIOFBZOSV-MRXNPFEDSA-N	-1	0	357.410	2.126	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000830072240	604172684	/nfs/dbraw/zinc/17/26/84/604172684.db2.gz	BQQZDJCXPSRFBX-WBVHZDCISA-N	-1	0	360.458	2.487	20	10		FECDRM
O=C([O-])N1CCCC[C@@H]1CNC(=O)NCCCSc1nccs1	ZINC000831681561	604335072	/nfs/dbraw/zinc/33/50/72/604335072.db2.gz	UXOCKJOJDWSNDS-LLVKDONJSA-N	-1	0	358.489	2.457	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828355201	604663112	/nfs/dbraw/zinc/66/31/12/604663112.db2.gz	JOTWLUPVMGRLHK-KRWDZBQOSA-N	-1	0	361.442	2.014	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3CC(=O)[O-])CC2)cc1	ZINC000832383217	604682837	/nfs/dbraw/zinc/68/28/37/604682837.db2.gz	BCFDAODZEQGNEK-MRXNPFEDSA-N	-1	0	361.442	2.313	20	10		FECDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824346423	604730517	/nfs/dbraw/zinc/73/05/17/604730517.db2.gz	IJSBGYACORGCLL-QGZVFWFLSA-N	-1	0	363.458	2.259	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(OC)c1C(=O)[O-]	ZINC000833734517	604861854	/nfs/dbraw/zinc/86/18/54/604861854.db2.gz	KCOOETJSKLXXQG-UHFFFAOYSA-N	-1	0	367.379	2.217	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1C(=O)[O-]	ZINC000833694905	605230587	/nfs/dbraw/zinc/23/05/87/605230587.db2.gz	DSUGSMTZOMWZHD-UHFFFAOYSA-N	-1	0	368.433	2.423	20	10		FECDRM
CC(C)CCC(=O)NCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833482716	605282141	/nfs/dbraw/zinc/28/21/41/605282141.db2.gz	HYQFQSIIUQUTQM-UHFFFAOYSA-N	-1	0	370.833	2.011	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Br)ccc2O)CCO1	ZINC000833820503	605676116	/nfs/dbraw/zinc/67/61/16/605676116.db2.gz	RUVIXQZMONRTSB-TVQRCGJNSA-N	-1	0	359.220	2.012	20	10		FECDRM
O=C([O-])N[C@H]1CCc2ncc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2C1	ZINC000834193832	605700051	/nfs/dbraw/zinc/70/00/51/605700051.db2.gz	VHEJYEKVOMOPRC-XYRDXQRHSA-N	-1	0	369.377	2.270	20	10		FECDRM
CN(Cc1ccccc1S(N)(=O)=O)Cc1c([O-])ccc(Cl)c1F	ZINC000816626354	675069354	/nfs/dbraw/zinc/06/93/54/675069354.db2.gz	GAAOHXITHJWLCT-UHFFFAOYSA-N	-1	0	358.822	2.464	20	10		FECDRM
CN(Cc1cc(Cl)cc(F)c1[O-])Cc1ccccc1S(N)(=O)=O	ZINC000816626245	675069363	/nfs/dbraw/zinc/06/93/63/675069363.db2.gz	AWNLZBOIXZJQCZ-UHFFFAOYSA-N	-1	0	358.822	2.464	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000054828541	670342024	/nfs/dbraw/zinc/34/20/24/670342024.db2.gz	PUCCYITWOKGJTD-UHFFFAOYSA-N	-1	0	358.416	2.388	20	10		FECDRM
Cc1nc(CN2CCN(Cc3cccc(Br)c3[O-])CC2)no1	ZINC000093274182	670751180	/nfs/dbraw/zinc/75/11/80/670751180.db2.gz	ZTAKOBWKAYMCEM-UHFFFAOYSA-N	-1	0	367.247	2.164	20	10		FECDRM
CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000162999085	672307145	/nfs/dbraw/zinc/30/71/45/672307145.db2.gz	LONNISFCBKUSIN-UHFFFAOYSA-N	-1	0	368.321	2.260	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc(C(=O)[O-])c1F	ZINC000325197005	673048777	/nfs/dbraw/zinc/04/87/77/673048777.db2.gz	GPLSPEZBFHRXSU-UHFFFAOYSA-N	-1	0	353.327	2.362	20	10		FECDRM
COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765062655	680829495	/nfs/dbraw/zinc/82/94/95/680829495.db2.gz	XUSGJUJMSGEDJR-UHFFFAOYSA-N	-1	0	362.367	2.226	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765663217	680849943	/nfs/dbraw/zinc/84/99/43/680849943.db2.gz	RKFXIFJSONXDME-UHFFFAOYSA-N	-1	0	364.452	2.008	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c(C)c1OCC(=O)[O-]	ZINC000758169679	680559103	/nfs/dbraw/zinc/55/91/03/680559103.db2.gz	XSMIFZSYBNSFPG-UHFFFAOYSA-N	-1	0	369.370	2.412	20	10		FECDRM
CCN1C[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000845485569	681131752	/nfs/dbraw/zinc/13/17/52/681131752.db2.gz	DLUBZYXTECMGRC-SECBINFHSA-N	-1	0	360.241	2.367	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1OC	ZINC000773230267	681132247	/nfs/dbraw/zinc/13/22/47/681132247.db2.gz	GDDUJBORWNBKNE-UHFFFAOYSA-N	-1	0	374.440	2.159	20	10		FECDRM
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286001	681292063	/nfs/dbraw/zinc/29/20/63/681292063.db2.gz	IXCIPPWQPSGNKE-UHFFFAOYSA-N	-1	0	365.367	2.450	20	10		FECDRM
[O-]c1c(Br)cccc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1	ZINC000848563185	681579034	/nfs/dbraw/zinc/57/90/34/681579034.db2.gz	RFXLNNJBWHNMHH-NSHDSACASA-N	-1	0	353.220	2.414	20	10		FECDRM
C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)[O-]	ZINC000780598159	681847942	/nfs/dbraw/zinc/84/79/42/681847942.db2.gz	HUBQKMQDTQCBTF-QWRGUYRKSA-N	-1	0	357.357	2.029	20	10		FECDRM
C[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000872840576	685023214	/nfs/dbraw/zinc/02/32/14/685023214.db2.gz	SJDMSLSHFLLFCY-CYBMUJFWSA-N	-1	0	366.483	2.297	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCCC[C@H]2C(F)F)cc1	ZINC000872990851	685044574	/nfs/dbraw/zinc/04/45/74/685044574.db2.gz	PYDMDUQPSVJTIY-AWEZNQCLSA-N	-1	0	356.369	2.232	20	10		FECDRM
CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000911226429	685185275	/nfs/dbraw/zinc/18/52/75/685185275.db2.gz	HHPCEJUPIPGIRI-MBNYWOFBSA-N	-1	0	352.406	2.166	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCOC[C@@H]1c1ncon1	ZINC000894428694	689530476	/nfs/dbraw/zinc/53/04/76/689530476.db2.gz	DBNJSPATKUXWDB-LLVKDONJSA-N	-1	0	358.167	2.250	20	10		FECDRM
Cc1cc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910147393	691894551	/nfs/dbraw/zinc/89/45/51/691894551.db2.gz	RDDIAMYACHTUBW-CQSZACIVSA-N	-1	0	359.451	2.379	20	10		FECDRM
O=C([O-])[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1	ZINC000852943137	939238299	/nfs/dbraw/zinc/23/82/99/939238299.db2.gz	QHMDUXJFIPDIKU-IBGZPJMESA-N	-1	0	374.481	2.403	20	10		FECDRM
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805246901	674327435	/nfs/dbraw/zinc/32/74/35/674327435.db2.gz	RZUVDDYZPOZJBG-CMPLNLGQSA-N	-1	0	360.241	2.413	20	10		FECDRM
Cn1cnc(-c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)n1	ZINC000192731571	548372324	/nfs/dbraw/zinc/37/23/24/548372324.db2.gz	MTKFCSIWUQUQGM-UHFFFAOYSA-N	-1	0	372.435	2.288	20	10		FECDRM
O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1cccc2nonc21	ZINC000268860067	550124477	/nfs/dbraw/zinc/12/44/77/550124477.db2.gz	MKPULIAESZDRKN-LLVKDONJSA-N	-1	0	361.379	2.191	20	10		FECDRM
COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)s1	ZINC000276175015	550577303	/nfs/dbraw/zinc/57/73/03/550577303.db2.gz	DISNLDUMQMNFPM-UHFFFAOYSA-N	-1	0	370.452	2.461	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2nnc3ccccn32)C1	ZINC000276494723	550578715	/nfs/dbraw/zinc/57/87/15/550578715.db2.gz	BIFUGBYKUGBKTI-LLVKDONJSA-N	-1	0	356.357	2.299	20	10		FECDRM
CC(=O)c1cc(Cl)cc(CN2CCC(CNS(C)(=O)=O)CC2)c1O	ZINC000285493610	551765261	/nfs/dbraw/zinc/76/52/61/551765261.db2.gz	PNKUGTKZXUNNDO-UHFFFAOYSA-N	-1	0	374.890	2.009	20	10		FECDRM
C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000291014309	552576253	/nfs/dbraw/zinc/57/62/53/552576253.db2.gz	ACBGROGGIFTCPY-ZDUSSCGKSA-N	-1	0	370.409	2.405	20	10		FECDRM
O=C([O-])[C@H]1CC12CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)CC2	ZINC000372927009	557589951	/nfs/dbraw/zinc/58/99/51/557589951.db2.gz	YFAIHZJQZRXQCA-HNSSHINMSA-N	-1	0	370.449	2.250	20	10		FECDRM
O=C([C@H]1CCCO1)N1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000373825157	557767612	/nfs/dbraw/zinc/76/76/12/557767612.db2.gz	OWIUCNRLVDBOGC-OAHLLOKOSA-N	-1	0	356.825	2.398	20	10		FECDRM
O=C([O-])CSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000819539715	596959375	/nfs/dbraw/zinc/95/93/75/596959375.db2.gz	LPODXAGUUUOQBS-UHFFFAOYSA-N	-1	0	355.371	2.218	20	10		FECDRM
C[C@@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000737706513	597494325	/nfs/dbraw/zinc/49/43/25/597494325.db2.gz	QNUIMECMCHABTB-MRVPVSSYSA-N	-1	0	369.285	2.000	20	10		FECDRM
O=C([O-])c1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000817876410	598174876	/nfs/dbraw/zinc/17/48/76/598174876.db2.gz	GZYLMDPQOZGDIA-UHFFFAOYSA-N	-1	0	368.389	2.224	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc2n[nH]c(=O)n2c1	ZINC000807838022	674431211	/nfs/dbraw/zinc/43/12/11/674431211.db2.gz	HLWPWFKIQCILLX-UHFFFAOYSA-N	-1	0	353.165	2.377	20	10		FECDRM
CN(C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O)c1nccs1	ZINC000737324060	600144323	/nfs/dbraw/zinc/14/43/23/600144323.db2.gz	IXHHSKZSQLGYNW-UHFFFAOYSA-N	-1	0	369.830	2.052	20	10		FECDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C	ZINC000738401378	600202260	/nfs/dbraw/zinc/20/22/60/600202260.db2.gz	BGCJSXVMZHQFCW-UHFFFAOYSA-N	-1	0	369.421	2.323	20	10		FECDRM
CC(=O)c1[nH]c(CC(=O)NCc2ccc(N(C)C)cc2C)c(C(=O)[O-])c1C	ZINC000736176120	600610582	/nfs/dbraw/zinc/61/05/82/600610582.db2.gz	DXPSEUQWWZJQGI-UHFFFAOYSA-N	-1	0	371.437	2.457	20	10		FECDRM
O=C([O-])Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1	ZINC000739886406	600647876	/nfs/dbraw/zinc/64/78/76/600647876.db2.gz	LCGIXZQDNDIDLW-UHFFFAOYSA-N	-1	0	374.462	2.392	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000830643117	600955569	/nfs/dbraw/zinc/95/55/69/600955569.db2.gz	DBHHDDNXTCHYBX-UHFFFAOYSA-N	-1	0	371.349	2.398	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000830644331	601045527	/nfs/dbraw/zinc/04/55/27/601045527.db2.gz	WHPHHPGZBDWXIQ-UHFFFAOYSA-N	-1	0	355.394	2.288	20	10		FECDRM
Cn1cc(C[C@@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)cn1	ZINC000833045498	601201050	/nfs/dbraw/zinc/20/10/50/601201050.db2.gz	YGRDPMJMTNCTND-KQIUPUNMSA-N	-1	0	356.382	2.495	20	10		FECDRM
O=C([O-])c1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1	ZINC000833140968	601363881	/nfs/dbraw/zinc/36/38/81/601363881.db2.gz	ZROFHXPXFXHVDE-UHFFFAOYSA-N	-1	0	365.436	2.078	20	10		FECDRM
COC(=O)C[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC000831147699	601375688	/nfs/dbraw/zinc/37/56/88/601375688.db2.gz	GYFNNIZFGAIBEM-CYBMUJFWSA-N	-1	0	359.378	2.008	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833195657	601435467	/nfs/dbraw/zinc/43/54/67/601435467.db2.gz	HWSUZFHJSKZCFG-NSRYLSIASA-N	-1	0	362.382	2.467	20	10		FECDRM
C[C@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-]	ZINC000828455745	601816555	/nfs/dbraw/zinc/81/65/55/601816555.db2.gz	FWIJIJQUDNNNGM-SWLSCSKDSA-N	-1	0	355.390	2.481	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000832888880	601858075	/nfs/dbraw/zinc/85/80/75/601858075.db2.gz	NBIKRZOHYBJTTL-UHFFFAOYSA-N	-1	0	373.384	2.153	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000739529696	601965009	/nfs/dbraw/zinc/96/50/09/601965009.db2.gz	IPZUXMNIPNZGJV-AWEZNQCLSA-N	-1	0	371.384	2.419	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2C(=O)[O-])cc1F	ZINC000739616412	602143244	/nfs/dbraw/zinc/14/32/44/602143244.db2.gz	BOZMFKOWOKHORI-ZDUSSCGKSA-N	-1	0	352.410	2.223	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])CC2)cc1	ZINC000738022389	602254745	/nfs/dbraw/zinc/25/47/45/602254745.db2.gz	MOYAORRGAKRWKV-QGZVFWFLSA-N	-1	0	363.458	2.463	20	10		FECDRM
O=C([O-])CCOc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1	ZINC000833239411	602277890	/nfs/dbraw/zinc/27/78/90/602277890.db2.gz	PZTHOWAYFPNCIE-UHFFFAOYSA-N	-1	0	360.366	2.316	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCCN(C(=O)[O-])C1	ZINC000739760556	602431249	/nfs/dbraw/zinc/43/12/49/602431249.db2.gz	HFSHNHJUTMDNSM-GFCCVEGCSA-N	-1	0	370.833	2.411	20	10		FECDRM
O=C([O-])N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000740449947	602502378	/nfs/dbraw/zinc/50/23/78/602502378.db2.gz	CRWFWVLQFFLEKX-MRXNPFEDSA-N	-1	0	363.483	2.389	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CCC(N(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738035642	602529033	/nfs/dbraw/zinc/52/90/33/602529033.db2.gz	GEYAZVRKLMQCFQ-GQCTYLIASA-N	-1	0	363.370	2.360	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1F	ZINC000739414479	602631352	/nfs/dbraw/zinc/63/13/52/602631352.db2.gz	MXPXXINXBDAIEM-ZDUSSCGKSA-N	-1	0	352.410	2.223	20	10		FECDRM
O=C([O-])NCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000740638494	602839893	/nfs/dbraw/zinc/83/98/93/602839893.db2.gz	ALPMUJHDUPUXKD-UHFFFAOYSA-N	-1	0	358.442	2.252	20	10		FECDRM
C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC(=O)[O-]	ZINC000824624417	603070549	/nfs/dbraw/zinc/07/05/49/603070549.db2.gz	ZYONTWSYRGFXBB-NEPJUHHUSA-N	-1	0	371.384	2.419	20	10		FECDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000739203260	603125575	/nfs/dbraw/zinc/12/55/75/603125575.db2.gz	RQNLDPNADZARJQ-QMTHXVAHSA-N	-1	0	353.394	2.011	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CCC[C@@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647564	603205571	/nfs/dbraw/zinc/20/55/71/603205571.db2.gz	QHSGVTUTHZWOMO-FWPCIQOSSA-N	-1	0	363.370	2.360	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828359846	603259504	/nfs/dbraw/zinc/25/95/04/603259504.db2.gz	HPIXUBZHMXQLNU-UHFFFAOYSA-N	-1	0	373.409	2.156	20	10		FECDRM
C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825115229	603415680	/nfs/dbraw/zinc/41/56/80/603415680.db2.gz	JNCGNECMQAPFRI-AWEZNQCLSA-N	-1	0	361.442	2.090	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000829484048	603619798	/nfs/dbraw/zinc/61/97/98/603619798.db2.gz	MZZPCWKQINUDNT-OAHLLOKOSA-N	-1	0	358.394	2.286	20	10		FECDRM
O=C([O-])N1CC[C@H](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831666311	603774095	/nfs/dbraw/zinc/77/40/95/603774095.db2.gz	WOARFBDBFCNOJP-ZDUSSCGKSA-N	-1	0	361.442	2.460	20	10		FECDRM
O=C([O-])N(CC(=O)NCc1c(O)ccc2c1CCCC2)C[C@@H]1CCCO1	ZINC000831473610	603930214	/nfs/dbraw/zinc/93/02/14/603930214.db2.gz	DMTXKBONXCXAPG-AWEZNQCLSA-N	-1	0	362.426	2.046	20	10		FECDRM
O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCCCSc1nccs1	ZINC000832469996	604337571	/nfs/dbraw/zinc/33/75/71/604337571.db2.gz	ZYLQMWOJKPAUFP-QWRGUYRKSA-N	-1	0	358.489	2.361	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)Nc1nc(C2CC2)no1	ZINC000832714552	605155405	/nfs/dbraw/zinc/15/54/05/605155405.db2.gz	FTRHKYFEFTYSIS-UHFFFAOYSA-N	-1	0	371.397	2.106	20	10		FECDRM
O=C(C[C@@H]1CSCCN1C(=O)[O-])NCCCSc1nccs1	ZINC000831407633	605311612	/nfs/dbraw/zinc/31/16/12/605311612.db2.gz	HTWZQDIBVFVKSB-SNVBAGLBSA-N	-1	0	361.514	2.227	20	10		FECDRM
O=C([O-])N1CCSC[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831414477	605322315	/nfs/dbraw/zinc/32/23/15/605322315.db2.gz	ORPRXNCBGKDGLG-ZDUSSCGKSA-N	-1	0	364.467	2.373	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)NC(C)(C)CNC(=O)[O-])CC2)cc1	ZINC000829424443	605602992	/nfs/dbraw/zinc/60/29/92/605602992.db2.gz	QJUKRABLOZPQEN-UHFFFAOYSA-N	-1	0	364.446	2.009	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	ZINC000833815484	605677844	/nfs/dbraw/zinc/67/78/44/605677844.db2.gz	HROQGNBAKVFXRJ-QWRGUYRKSA-N	-1	0	358.489	2.313	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833874611	605772951	/nfs/dbraw/zinc/77/29/51/605772951.db2.gz	STTDLQPVQHMELJ-UHFFFAOYSA-N	-1	0	360.458	2.428	20	10		FECDRM
NC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1	ZINC000814386548	674838090	/nfs/dbraw/zinc/83/80/90/674838090.db2.gz	NWUAASZPJSZLNF-UHFFFAOYSA-N	-1	0	367.774	2.168	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000013463966	670006794	/nfs/dbraw/zinc/00/67/94/670006794.db2.gz	JJFZIOFKUIJOGO-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	ZINC000817859181	675182961	/nfs/dbraw/zinc/18/29/61/675182961.db2.gz	XMYXOQQJWIWQBA-YPMHNXCESA-N	-1	0	359.451	2.499	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000158138618	672266502	/nfs/dbraw/zinc/26/65/02/672266502.db2.gz	FKWIBSWSDVPUOY-CYBMUJFWSA-N	-1	0	368.480	2.252	20	10		FECDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000181714783	672429894	/nfs/dbraw/zinc/42/98/94/672429894.db2.gz	ZXDNSKCBHHQARR-UHFFFAOYSA-N	-1	0	364.467	2.499	20	10		FECDRM
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1OC	ZINC000326440112	673053389	/nfs/dbraw/zinc/05/33/89/673053389.db2.gz	ZAJHBPNUFUWTDO-UHFFFAOYSA-N	-1	0	367.379	2.217	20	10		FECDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000326792963	673055141	/nfs/dbraw/zinc/05/51/41/673055141.db2.gz	AJVMSEZWWJEQJM-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000729911897	673253623	/nfs/dbraw/zinc/25/36/23/673253623.db2.gz	GIPJLYXCBSYLDM-UHFFFAOYSA-N	-1	0	355.485	2.470	20	10		FECDRM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000743260087	673754046	/nfs/dbraw/zinc/75/40/46/673754046.db2.gz	UMHDNZGJFMBJDJ-UHFFFAOYSA-N	-1	0	350.396	2.468	20	10		FECDRM
CCCCCNC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	ZINC000825460997	675654104	/nfs/dbraw/zinc/65/41/04/675654104.db2.gz	NKOBQPVMKIKCCJ-UHFFFAOYSA-N	-1	0	352.406	2.396	20	10		FECDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)o1	ZINC000766047811	680864199	/nfs/dbraw/zinc/86/41/99/680864199.db2.gz	LECJOKJBIBQFOX-UHFFFAOYSA-N	-1	0	353.352	2.165	20	10		FECDRM
COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1	ZINC000874043743	685278273	/nfs/dbraw/zinc/27/82/73/685278273.db2.gz	YTWONJWFCZNUDM-OAHLLOKOSA-N	-1	0	358.232	2.386	20	10		FECDRM
C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-]	ZINC000756776432	680497134	/nfs/dbraw/zinc/49/71/34/680497134.db2.gz	PGLYEMKTAWRQEY-AMIZOPFISA-N	-1	0	358.211	2.412	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)s1	ZINC000766050049	680864413	/nfs/dbraw/zinc/86/44/13/680864413.db2.gz	FPCAIZQYUANJNP-UHFFFAOYSA-N	-1	0	355.393	2.244	20	10		FECDRM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)s1	ZINC000766050517	680864462	/nfs/dbraw/zinc/86/44/62/680864462.db2.gz	IDXNGLZXGCTZAF-UHFFFAOYSA-N	-1	0	369.424	2.119	20	10		FECDRM
Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)ccc1O	ZINC000776747648	681432590	/nfs/dbraw/zinc/43/25/90/681432590.db2.gz	IOQHDCSJCVEDSL-UHFFFAOYSA-N	-1	0	355.343	2.104	20	10		FECDRM
CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2C1	ZINC000849307753	681682374	/nfs/dbraw/zinc/68/23/74/681682374.db2.gz	FINGIZJRNOXHJD-UHFFFAOYSA-N	-1	0	366.464	2.468	20	10		FECDRM
O=C([O-])[C@@H](CC(F)F)NC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780445132	681828320	/nfs/dbraw/zinc/82/83/20/681828320.db2.gz	ZTTFCGKKISFFGI-CYBMUJFWSA-N	-1	0	373.425	2.147	20	10		FECDRM
CC(C)[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000780444689	681828527	/nfs/dbraw/zinc/82/85/27/681828527.db2.gz	VOQOPEUSNRAVSF-HNNXBMFYSA-N	-1	0	351.472	2.148	20	10		FECDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccco2)cc1Cl	ZINC000783525021	682149610	/nfs/dbraw/zinc/14/96/10/682149610.db2.gz	ZNXDSOJCTKSIQD-UHFFFAOYSA-N	-1	0	350.805	2.105	20	10		FECDRM
C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@@H]1C(=O)[O-]	ZINC000864613383	683873220	/nfs/dbraw/zinc/87/32/20/683873220.db2.gz	TZBVBIHVSALUSJ-FZMZJTMJSA-N	-1	0	359.451	2.499	20	10		FECDRM
O=C([O-])c1ccnc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	ZINC000911227530	685185430	/nfs/dbraw/zinc/18/54/30/685185430.db2.gz	OTSQIJTWMIYKMA-UHFFFAOYSA-N	-1	0	357.435	2.263	20	10		FECDRM
CCCn1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1	ZINC000911360023	685202285	/nfs/dbraw/zinc/20/22/85/685202285.db2.gz	LHRXTHHIWZDAEL-UHFFFAOYSA-N	-1	0	351.790	2.379	20	10		FECDRM
CO[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)C(F)(F)F	ZINC000911359785	685202399	/nfs/dbraw/zinc/20/23/99/685202399.db2.gz	GFPAMIDJTGMMFY-LLVKDONJSA-N	-1	0	369.723	2.426	20	10		FECDRM
C[C@@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)n1ccnc1	ZINC000911359573	685202470	/nfs/dbraw/zinc/20/24/70/685202470.db2.gz	BIVRZDHPXCLAEW-NSHDSACASA-N	-1	0	351.790	2.307	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cn2c(n1)CCCC2	ZINC000911360225	685203074	/nfs/dbraw/zinc/20/30/74/685203074.db2.gz	PCSJJPCCHMJAHC-UHFFFAOYSA-N	-1	0	363.801	2.305	20	10		FECDRM
C[C@]12CN(Cc3cccc(Br)c3[O-])C[C@@]1(C)CS(=O)(=O)C2	ZINC000877814681	686469541	/nfs/dbraw/zinc/46/95/41/686469541.db2.gz	AVEPVKFUOMRYRR-GASCZTMLSA-N	-1	0	374.300	2.411	20	10		FECDRM
O=[N+]([O-])c1ccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cn1	ZINC000893941082	689434502	/nfs/dbraw/zinc/43/45/02/689434502.db2.gz	VXQHKNWHARPEEZ-UHFFFAOYSA-N	-1	0	350.325	2.296	20	10		FECDRM
O=S(=O)(C1CC1)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000802658460	674190741	/nfs/dbraw/zinc/19/07/41/674190741.db2.gz	CCGSIWLZATWEAA-UHFFFAOYSA-N	-1	0	362.854	2.185	20	10		FECDRM
C[C@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1	ZINC000805134465	674321873	/nfs/dbraw/zinc/32/18/73/674321873.db2.gz	AFARBGBEHADSAK-IUCAKERBSA-N	-1	0	369.270	2.143	20	10		FECDRM
CN(C)c1ncc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1C	ZINC000805187595	674325005	/nfs/dbraw/zinc/32/50/05/674325005.db2.gz	RIFRNYSXTIWVAP-UHFFFAOYSA-N	-1	0	372.256	2.498	20	10		FECDRM
CN(C)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1	ZINC000277255335	550648279	/nfs/dbraw/zinc/64/82/79/550648279.db2.gz	IGWDZLCHWHUFCJ-UHFFFAOYSA-N	-1	0	374.828	2.471	20	10		FECDRM
COc1ccccc1C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000277359001	550660720	/nfs/dbraw/zinc/66/07/20/550660720.db2.gz	PSBAMUNZZBLCBR-AWEZNQCLSA-N	-1	0	360.366	2.342	20	10		FECDRM
COCCOCc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000289878690	552393345	/nfs/dbraw/zinc/39/33/45/552393345.db2.gz	IFOPLVPRXMXQJL-MDWZMJQESA-N	-1	0	367.448	2.135	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000364528317	555330136	/nfs/dbraw/zinc/33/01/36/555330136.db2.gz	GSFKQNREUBSIHU-KRWDZBQOSA-N	-1	0	366.425	2.129	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-]	ZINC000377169250	558280768	/nfs/dbraw/zinc/28/07/68/558280768.db2.gz	VRUBVWFQYYYCAC-CYBMUJFWSA-N	-1	0	366.805	2.310	20	10		FECDRM
Cc1nc([C@H]2COCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1	ZINC000378530468	558576265	/nfs/dbraw/zinc/57/62/65/558576265.db2.gz	GGSUTCLXJGWSEZ-GFCCVEGCSA-N	-1	0	354.750	2.219	20	10		FECDRM
CCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n(C)n1	ZINC000807511893	674418287	/nfs/dbraw/zinc/41/82/87/674418287.db2.gz	ZVJCQDZGPSRUSF-UHFFFAOYSA-N	-1	0	371.224	2.250	20	10		FECDRM
O=C(CNC(=O)c1cccc(O)c1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837477	674431246	/nfs/dbraw/zinc/43/12/46/674431246.db2.gz	RLEPVGMKTKFZSO-UHFFFAOYSA-N	-1	0	369.204	2.451	20	10		FECDRM
O=C(CNC(=O)c1ccccn1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836575	674431275	/nfs/dbraw/zinc/43/12/75/674431275.db2.gz	GFEXNXTVJWYPTR-UHFFFAOYSA-N	-1	0	354.193	2.140	20	10		FECDRM
O=C([O-])c1cccc(S(=O)(=O)NCCCSc2nccs2)c1	ZINC000738688132	600400450	/nfs/dbraw/zinc/40/04/50/600400450.db2.gz	GFCFVGBOLPEYJR-UHFFFAOYSA-N	-1	0	358.466	2.302	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC000737494617	600632530	/nfs/dbraw/zinc/63/25/30/600632530.db2.gz	XSWPMOUVIXHMDU-UHFFFAOYSA-N	-1	0	350.400	2.315	20	10		FECDRM
Cc1cc(C(=O)CN(CC(N)=O)C(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738321013	600653227	/nfs/dbraw/zinc/65/32/27/600653227.db2.gz	VTDSQAZHGIWEBH-UHFFFAOYSA-N	-1	0	371.437	2.171	20	10		FECDRM
Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)ccc1C(=O)[O-]	ZINC000794821956	600728783	/nfs/dbraw/zinc/72/87/83/600728783.db2.gz	CPWHDAIZDOUBGL-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1	ZINC000829687222	600773191	/nfs/dbraw/zinc/77/31/91/600773191.db2.gz	IMRMAWXXFAOTLO-UHFFFAOYSA-N	-1	0	365.455	2.048	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000013185507	601208696	/nfs/dbraw/zinc/20/86/96/601208696.db2.gz	GIQWFYIDDUIDMS-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000832960288	601595688	/nfs/dbraw/zinc/59/56/88/601595688.db2.gz	FSSYRXAWIBWUBQ-AEFFLSMTSA-N	-1	0	356.422	2.105	20	10		FECDRM
NC(=O)c1ccc(N2C(=O)/C(=C/c3c[nH]c(C(=O)[O-])c3)SC2=S)cc1	ZINC000833085151	601788882	/nfs/dbraw/zinc/78/88/82/601788882.db2.gz	HFPNDLPDHASOEU-SDQBBNPISA-N	-1	0	373.415	2.218	20	10		FECDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000739224050	602139517	/nfs/dbraw/zinc/13/95/17/602139517.db2.gz	AYGWENJAHVFMQJ-JJRVBVJISA-N	-1	0	363.458	2.383	20	10		FECDRM
CN1CCCc2cc(CNC(=O)NCC3CCN(C(=O)[O-])CC3)ccc21	ZINC000739732426	602148881	/nfs/dbraw/zinc/14/88/81/602148881.db2.gz	VFIWDMMLDAPJPO-UHFFFAOYSA-N	-1	0	360.458	2.258	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000739710369	602494501	/nfs/dbraw/zinc/49/45/01/602494501.db2.gz	ROFRBSMNBWUCAA-QGZVFWFLSA-N	-1	0	361.442	2.014	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)NCC[C@@H](C)NC(=O)[O-])CC2)cc1	ZINC000739908032	602559283	/nfs/dbraw/zinc/55/92/83/602559283.db2.gz	FBIKUEFBQBKASK-CYBMUJFWSA-N	-1	0	364.446	2.009	20	10		FECDRM
C[C@@H](C(=O)Nc1ncccn1)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000738636387	602649420	/nfs/dbraw/zinc/64/94/20/602649420.db2.gz	FKPUAZLAOXOGGT-LBPRGKRZSA-N	-1	0	355.398	2.024	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)[O-])cc1F	ZINC000739415363	602687679	/nfs/dbraw/zinc/68/76/79/602687679.db2.gz	UVBJIRANEPOHSI-CQSZACIVSA-N	-1	0	355.435	2.341	20	10		FECDRM
O=C([O-])N1CCC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740448555	602839822	/nfs/dbraw/zinc/83/98/22/602839822.db2.gz	UNBNJWFKHQHMPI-INIZCTEOSA-N	-1	0	358.442	2.252	20	10		FECDRM
Cc1noc(C)c1CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830909621	603027111	/nfs/dbraw/zinc/02/71/11/603027111.db2.gz	QVORDJLZRVDFNR-MRXNPFEDSA-N	-1	0	360.414	2.025	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cccc3c2OCO3)NC(=O)[O-])cc1	ZINC000828064381	603029762	/nfs/dbraw/zinc/02/97/62/603029762.db2.gz	QPOQXXHSPHCGNG-HNNXBMFYSA-N	-1	0	371.393	2.220	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)C(F)F)NC(=O)[O-])cc1	ZINC000828055156	603451935	/nfs/dbraw/zinc/45/19/35/603451935.db2.gz	FGDPRRVVIZLYHJ-SNVBAGLBSA-N	-1	0	351.300	2.078	20	10		FECDRM
O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000832240717	603585758	/nfs/dbraw/zinc/58/57/58/603585758.db2.gz	YCDZZDPYEXYQKA-FVQBIDKESA-N	-1	0	362.426	2.336	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])ccc21	ZINC000828488831	603844151	/nfs/dbraw/zinc/84/41/51/603844151.db2.gz	QDOXBSPPMXWGTA-JKSUJKDBSA-N	-1	0	360.458	2.305	20	10		FECDRM
CNC(=O)Cc1nc(CN2CCCc3cc(CNC(=O)[O-])ccc32)cs1	ZINC000828547106	604203755	/nfs/dbraw/zinc/20/37/55/604203755.db2.gz	KMWWUFKJOYPFSN-UHFFFAOYSA-N	-1	0	374.466	2.152	20	10		FECDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000824825316	604220609	/nfs/dbraw/zinc/22/06/09/604220609.db2.gz	REGDFIPVWVBCNS-DZGCQCFKSA-N	-1	0	350.415	2.146	20	10		FECDRM
COc1cccc(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829560724	604581220	/nfs/dbraw/zinc/58/12/20/604581220.db2.gz	SYNRQYKGHYEGRO-TZMCWYRMSA-N	-1	0	350.415	2.433	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000833733873	605033966	/nfs/dbraw/zinc/03/39/66/605033966.db2.gz	ULEIPAMCWGCJFZ-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1	ZINC000833733922	605033981	/nfs/dbraw/zinc/03/39/81/605033981.db2.gz	VTKIMEIGPMYWCN-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
O=C([O-])N1CCO[C@H](CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	ZINC000832060958	605348330	/nfs/dbraw/zinc/34/83/30/605348330.db2.gz	SGSJYLLRLPILJS-MRXNPFEDSA-N	-1	0	374.393	2.283	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC1CCS(=O)(=O)CC1	ZINC000834246797	605426275	/nfs/dbraw/zinc/42/62/75/605426275.db2.gz	DMYKSQIMDANTTE-UHFFFAOYSA-N	-1	0	352.456	2.032	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000828646266	605492387	/nfs/dbraw/zinc/49/23/87/605492387.db2.gz	HDZGQNRZNMVOTR-IKHFIWMDSA-N	-1	0	363.370	2.406	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CSCCN2C(=O)[O-])c1	ZINC000829484307	605899772	/nfs/dbraw/zinc/89/97/72/605899772.db2.gz	RJLUBQJESIIHPT-MNOVXSKESA-N	-1	0	354.428	2.064	20	10		FECDRM
Cc1cc(Br)c(O)c(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1	ZINC000833897330	605913028	/nfs/dbraw/zinc/91/30/28/605913028.db2.gz	IIDWFQLLKYCGKT-ZWNOBZJWSA-N	-1	0	373.247	2.320	20	10		FECDRM
Cc1cc(Br)cc(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c1O	ZINC000833897376	605994441	/nfs/dbraw/zinc/99/44/41/605994441.db2.gz	JHLCGOCGNNWRBK-GWCFXTLKSA-N	-1	0	373.247	2.320	20	10		FECDRM
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000826492766	609524906	/nfs/dbraw/zinc/52/49/06/609524906.db2.gz	BZVLSSCXMDOVDI-UHFFFAOYSA-N	-1	0	351.775	2.027	20	10		FECDRM
Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCO3)cs1	ZINC000727247560	673162843	/nfs/dbraw/zinc/16/28/43/673162843.db2.gz	CRBXWBKNPWHYCA-UHFFFAOYSA-N	-1	0	362.436	2.279	20	10		FECDRM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)s1	ZINC000740706355	673651114	/nfs/dbraw/zinc/65/11/14/673651114.db2.gz	XYWXNZQOTZEADA-UHFFFAOYSA-N	-1	0	354.453	2.242	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cn1	ZINC000743050638	673748101	/nfs/dbraw/zinc/74/81/01/673748101.db2.gz	XYRCDXHVXLMVLL-UHFFFAOYSA-N	-1	0	365.396	2.253	20	10		FECDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000743259880	673754132	/nfs/dbraw/zinc/75/41/32/673754132.db2.gz	OEPAWBUVODDPJN-UHFFFAOYSA-N	-1	0	366.351	2.181	20	10		FECDRM
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000762000278	680736985	/nfs/dbraw/zinc/73/69/85/680736985.db2.gz	MRQNEJUGTHPFDX-UHFFFAOYSA-N	-1	0	350.396	2.079	20	10		FECDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000764195329	680802406	/nfs/dbraw/zinc/80/24/06/680802406.db2.gz	RAJGKWXSCPJTRY-LBPRGKRZSA-N	-1	0	368.430	2.328	20	10		FECDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000764215051	680802987	/nfs/dbraw/zinc/80/29/87/680802987.db2.gz	CQYKJAHEFDUFHY-AWEZNQCLSA-N	-1	0	364.467	2.497	20	10		FECDRM
O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1	ZINC000758169607	680559227	/nfs/dbraw/zinc/55/92/27/680559227.db2.gz	VCFYXHAOUXXIEC-UHFFFAOYSA-N	-1	0	367.354	2.380	20	10		FECDRM
COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-]	ZINC000759163350	680632442	/nfs/dbraw/zinc/63/24/42/680632442.db2.gz	LUGWQTSRAWTDKK-UHFFFAOYSA-N	-1	0	352.324	2.133	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2cc(O)ccc2Br)SC1=S	ZINC000769775788	680994741	/nfs/dbraw/zinc/99/47/41/680994741.db2.gz	GTRDMSBYIDZISV-WTKPLQERSA-N	-1	0	374.237	2.441	20	10		FECDRM
COCCO[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844207523	681044685	/nfs/dbraw/zinc/04/46/85/681044685.db2.gz	MFMVLIJSHHEAMR-DYLGSBMWSA-N	-1	0	350.371	2.324	20	10		FECDRM
CS(=O)(=O)[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844220312	681045397	/nfs/dbraw/zinc/04/53/97/681045397.db2.gz	YXDBXBBORDYYSQ-VUDGCMKMSA-N	-1	0	368.411	2.096	20	10		FECDRM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1	ZINC000776748701	681433156	/nfs/dbraw/zinc/43/31/56/681433156.db2.gz	CQEVMMWUSYNRPK-UHFFFAOYSA-N	-1	0	372.742	2.453	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(O[C@H]3CCOC3)cc2)SC1=S	ZINC000849177142	681663791	/nfs/dbraw/zinc/66/37/91/681663791.db2.gz	ZPXMWIIRSYTNPE-BPLGCGBFSA-N	-1	0	365.432	2.140	20	10		FECDRM
CCOC(=O)c1c(NC(=O)C[C@]2(C(=O)[O-])CCOC2)sc2c1CCC2	ZINC000849181293	681663799	/nfs/dbraw/zinc/66/37/99/681663799.db2.gz	LNQYHDIPMCLFNB-QGZVFWFLSA-N	-1	0	367.423	2.233	20	10		FECDRM
COCc1nnc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])[n-]1	ZINC000850515289	681911225	/nfs/dbraw/zinc/91/12/25/681911225.db2.gz	VUBLFLCWVLSQBA-ZETCQYMHSA-N	-1	0	359.199	2.409	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000918064491	685536954	/nfs/dbraw/zinc/53/69/54/685536954.db2.gz	SHZLZMUFXLQPIP-UHFFFAOYSA-N	-1	0	365.411	2.187	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](C)CC(F)(F)F)cc1	ZINC000853010543	682363337	/nfs/dbraw/zinc/36/33/37/682363337.db2.gz	FICLYLPWDGCCGG-NSHDSACASA-N	-1	0	362.348	2.291	20	10		FECDRM
O=C([O-])c1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1Cl	ZINC000787167674	682438209	/nfs/dbraw/zinc/43/82/09/682438209.db2.gz	FASHGKFHCCAPBO-FLIBITNWSA-N	-1	0	352.799	2.341	20	10		FECDRM
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cn1C	ZINC000792703229	682829392	/nfs/dbraw/zinc/82/93/92/682829392.db2.gz	QWKVGOPUXMVEFR-UHFFFAOYSA-N	-1	0	370.452	2.430	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(F)(F)C[C@H]2C)cc1	ZINC000872989144	685044314	/nfs/dbraw/zinc/04/43/14/685044314.db2.gz	MDXGBIRXNCHMDE-GFCCVEGCSA-N	-1	0	356.369	2.232	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC(C)(C)C(C)(F)F)cc1	ZINC000873000379	685046329	/nfs/dbraw/zinc/04/63/29/685046329.db2.gz	PUIBCSBMSQSJGH-UHFFFAOYSA-N	-1	0	358.385	2.384	20	10		FECDRM
O=C([O-])c1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)cs1	ZINC000911229233	685186071	/nfs/dbraw/zinc/18/60/71/685186071.db2.gz	XVIMKINORQOWGW-UHFFFAOYSA-N	-1	0	363.464	2.325	20	10		FECDRM
NS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)cc(F)c1[O-])C2	ZINC000877761824	686450349	/nfs/dbraw/zinc/45/03/49/686450349.db2.gz	QNPNLIMWIVBUNR-UHFFFAOYSA-N	-1	0	370.833	2.390	20	10		FECDRM
COCCc1noc(CN(C)Cc2cc(Br)cc(F)c2[O-])n1	ZINC000894041651	689455166	/nfs/dbraw/zinc/45/51/66/689455166.db2.gz	FOZHGYVMQQJZBH-UHFFFAOYSA-N	-1	0	374.210	2.498	20	10		FECDRM
C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894565337	689555909	/nfs/dbraw/zinc/55/59/09/689555909.db2.gz	DRMYHLAPFYFWQG-SECBINFHSA-N	-1	0	366.252	2.303	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)n(C)c1	ZINC000901946573	690718907	/nfs/dbraw/zinc/71/89/07/690718907.db2.gz	HSTQIYSIJPPVJQ-UHFFFAOYSA-N	-1	0	352.412	2.442	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CSC(=O)N1	ZINC000120991541	543687336	/nfs/dbraw/zinc/68/73/36/543687336.db2.gz	IMGRQRTYDWUNFF-SNVBAGLBSA-N	-1	0	359.245	2.328	20	10		FECDRM
O=C(CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])NCC(F)(F)F	ZINC000804973619	674310042	/nfs/dbraw/zinc/31/00/42/674310042.db2.gz	XGASXQXVUBTSRP-UHFFFAOYSA-N	-1	0	374.146	2.177	20	10		FECDRM
O=C(C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1)N1CCOCC1	ZINC000191183380	548341730	/nfs/dbraw/zinc/34/17/30/548341730.db2.gz	ANCGCXZCGRPYQZ-UHFFFAOYSA-N	-1	0	356.825	2.256	20	10		FECDRM
C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000192731781	548372592	/nfs/dbraw/zinc/37/25/92/548372592.db2.gz	WGENONAIUMKTDX-QFIPXVFZSA-N	-1	0	367.477	2.371	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2C)cc1	ZINC000262410755	549817759	/nfs/dbraw/zinc/81/77/59/549817759.db2.gz	BHVALVMXHRUFIZ-QGZVFWFLSA-N	-1	0	358.394	2.028	20	10		FECDRM
CC(C)(C)OC(=O)N1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1	ZINC000276509676	550578811	/nfs/dbraw/zinc/57/88/11/550578811.db2.gz	AXLQGVWWKSDRJJ-UHFFFAOYSA-N	-1	0	354.378	2.320	20	10		FECDRM
Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(C)n1-c1ccccc1C	ZINC000363395372	555094739	/nfs/dbraw/zinc/09/47/39/555094739.db2.gz	JMSPFLPOGGZVIS-KRWDZBQOSA-N	-1	0	366.425	2.129	20	10		FECDRM
COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)nn1	ZINC000365266343	555527133	/nfs/dbraw/zinc/52/71/33/555527133.db2.gz	KZWBDOKQPQWNLJ-JTQLQIEISA-N	-1	0	368.796	2.400	20	10		FECDRM
COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1O	ZINC000369035690	556483605	/nfs/dbraw/zinc/48/36/05/556483605.db2.gz	IPAXXUIJNZYHHV-OAHLLOKOSA-N	-1	0	370.405	2.027	20	10		FECDRM
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-]	ZINC000738378809	600024360	/nfs/dbraw/zinc/02/43/60/600024360.db2.gz	JXAPOXQKYRFBPR-YBEGLDIGSA-N	-1	0	366.373	2.228	20	10		FECDRM
O=C([O-])CN(CC(=O)Nc1nccs1)Cc1cc(Cl)ccc1O	ZINC000739783678	600145056	/nfs/dbraw/zinc/14/50/56/600145056.db2.gz	JABSLHNNRFQFFN-UHFFFAOYSA-N	-1	0	355.803	2.027	20	10		FECDRM
COc1ccc(O)c(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1	ZINC000738045128	600452014	/nfs/dbraw/zinc/45/20/14/600452014.db2.gz	YCCORBWKTVVIBM-UHFFFAOYSA-N	-1	0	354.362	2.370	20	10		FECDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1	ZINC000826114575	600883720	/nfs/dbraw/zinc/88/37/20/600883720.db2.gz	RQIXPDOBYIKNHK-UHFFFAOYSA-N	-1	0	356.378	2.009	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000830644427	601045610	/nfs/dbraw/zinc/04/56/10/601045610.db2.gz	YYELDFSUTYCBAD-UHFFFAOYSA-N	-1	0	355.394	2.288	20	10		FECDRM
COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C(=O)[O-]	ZINC000831134944	601278373	/nfs/dbraw/zinc/27/83/73/601278373.db2.gz	WIFGTXIPIDNLLD-KRWDZBQOSA-N	-1	0	372.421	2.457	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000832974621	601597281	/nfs/dbraw/zinc/59/72/81/601597281.db2.gz	KWZALJMLGZLOKZ-SFHVURJKSA-N	-1	0	356.422	2.371	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cc1F	ZINC000739619212	602148768	/nfs/dbraw/zinc/14/87/68/602148768.db2.gz	SIIHCLDCKKDWGD-ZDUSSCGKSA-N	-1	0	352.410	2.176	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N3CCC[C@H](CNC(=O)[O-])C3)ccc21	ZINC000739729210	602148869	/nfs/dbraw/zinc/14/88/69/602148869.db2.gz	CBQCXSNXCBAXLU-OAHLLOKOSA-N	-1	0	360.458	2.258	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NCCCN(C(=O)[O-])C2CC2)c1	ZINC000739924530	602417176	/nfs/dbraw/zinc/41/71/76/602417176.db2.gz	BDSWRWFZZAKXQO-NSHDSACASA-N	-1	0	351.403	2.294	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739758838	602433959	/nfs/dbraw/zinc/43/39/59/602433959.db2.gz	HKAQLYZRNNHEHO-BPJJOFIESA-N	-1	0	363.370	2.217	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)N1C(=O)[O-]	ZINC000739136868	602961324	/nfs/dbraw/zinc/96/13/24/602961324.db2.gz	GFXHZBBWYZFRCS-RYUDHWBXSA-N	-1	0	352.410	2.174	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)n(C)n2)NC(=O)[O-])cc1	ZINC000828063949	603025638	/nfs/dbraw/zinc/02/56/38/603025638.db2.gz	JZUCPEKPGBDUNC-INIZCTEOSA-N	-1	0	371.441	2.102	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CN(C)c2ccccc2)NC(=O)[O-])cc1	ZINC000828063401	603032058	/nfs/dbraw/zinc/03/20/58/603032058.db2.gz	FNVMMPHLWOTCCH-SFHVURJKSA-N	-1	0	370.453	2.314	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cnn3ccccc23)NC(=O)[O-])cc1	ZINC000828064529	603032721	/nfs/dbraw/zinc/03/27/21/603032721.db2.gz	RTCAAMNCWSNDEI-MRXNPFEDSA-N	-1	0	367.409	2.139	20	10		FECDRM
COc1ccc(O)c(CNC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)c1	ZINC000739929348	603167756	/nfs/dbraw/zinc/16/77/56/603167756.db2.gz	DWFSCQPHZNSNSL-HNNXBMFYSA-N	-1	0	365.430	2.417	20	10		FECDRM
C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825082911	603522033	/nfs/dbraw/zinc/52/20/33/603522033.db2.gz	OXBYRPACAOCPNI-IMJJTQAJSA-N	-1	0	361.442	2.137	20	10		FECDRM
COc1cccc(CNC(=O)NCC2(NC(=O)[O-])CCCCC2)c1O	ZINC000829558875	604085787	/nfs/dbraw/zinc/08/57/87/604085787.db2.gz	FRYUTGIWDAKGNX-UHFFFAOYSA-N	-1	0	351.403	2.171	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000825228786	604134741	/nfs/dbraw/zinc/13/47/41/604134741.db2.gz	MTEHWBVWDAENCC-GXTWGEPZSA-N	-1	0	366.437	2.469	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1	ZINC000833733620	605176503	/nfs/dbraw/zinc/17/65/03/605176503.db2.gz	LLVFTVZUTNVAJE-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093416930	670753474	/nfs/dbraw/zinc/75/34/74/670753474.db2.gz	MQYRPFFGKTVRBL-SECBINFHSA-N	-1	0	350.824	2.209	20	10		FECDRM
CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000127245390	672034188	/nfs/dbraw/zinc/03/41/88/672034188.db2.gz	NFXHRVJBCVRVLL-UHFFFAOYSA-N	-1	0	353.271	2.166	20	10		FECDRM
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1	ZINC000184886034	672510252	/nfs/dbraw/zinc/51/02/52/672510252.db2.gz	JDDWZWAAPQUOTK-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
Cc1oc(C)c(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1C(=O)[O-]	ZINC000184968529	672514545	/nfs/dbraw/zinc/51/45/45/672514545.db2.gz	WEKOBJJSDYAYKA-UHFFFAOYSA-N	-1	0	370.402	2.278	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)c1[O-]	ZINC000840956482	680856963	/nfs/dbraw/zinc/85/69/63/680856963.db2.gz	SQAOSTDMDNYUBB-CQSZACIVSA-N	-1	0	374.846	2.353	20	10		FECDRM
CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3C(C)=O)cc12	ZINC000766047286	680864291	/nfs/dbraw/zinc/86/42/91/680864291.db2.gz	JFCFOSHZVSRJLC-UHFFFAOYSA-N	-1	0	361.379	2.494	20	10		FECDRM
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C(=O)[O-])cc2F)C[C@H](C)O1	ZINC000844252351	681046604	/nfs/dbraw/zinc/04/66/04/681046604.db2.gz	KSYPICVOCYCFMG-RYUDHWBXSA-N	-1	0	352.406	2.166	20	10		FECDRM
C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)ccc2O1	ZINC000775285789	681291873	/nfs/dbraw/zinc/29/18/73/681291873.db2.gz	CBAAVCUERLJOML-VIFPVBQESA-N	-1	0	350.352	2.425	20	10		FECDRM
COc1ccc(OCCS(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775285950	681291923	/nfs/dbraw/zinc/29/19/23/681291923.db2.gz	GBOPEPXLKPWRFO-UHFFFAOYSA-N	-1	0	368.367	2.130	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000775287309	681292329	/nfs/dbraw/zinc/29/23/29/681292329.db2.gz	YXBAKAGDGOWFMZ-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
C[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccc(N2CCOCC2)cc1	ZINC000849372219	681698956	/nfs/dbraw/zinc/69/89/56/681698956.db2.gz	IVXBBMCSBONHMD-AWEZNQCLSA-N	-1	0	362.451	2.268	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC2CC(F)(F)C2)cc1	ZINC000853010713	682363232	/nfs/dbraw/zinc/36/32/32/682363232.db2.gz	KISWIJKIRXZRNG-UHFFFAOYSA-N	-1	0	356.369	2.138	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000853027983	682365363	/nfs/dbraw/zinc/36/53/63/682365363.db2.gz	HNUQEHKIEIRTIF-UHFFFAOYSA-N	-1	0	355.368	2.280	20	10		FECDRM
O=C([O-])[C@H](CNC(=O)NCc1cc(Br)ccc1O)C1CCC1	ZINC000854236968	682527149	/nfs/dbraw/zinc/52/71/49/682527149.db2.gz	ZQAPVTHOWPTHMW-GFCCVEGCSA-N	-1	0	371.231	2.455	20	10		FECDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1	ZINC000788545693	682537933	/nfs/dbraw/zinc/53/79/33/682537933.db2.gz	WACUWPJASCRCRN-UHFFFAOYSA-N	-1	0	361.423	2.269	20	10		FECDRM
CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000799126139	683424944	/nfs/dbraw/zinc/42/49/44/683424944.db2.gz	VHOXMAYNDPJPGG-UHFFFAOYSA-N	-1	0	364.339	2.331	20	10		FECDRM
CCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H](COC)C(=O)[O-]	ZINC000929045848	683539230	/nfs/dbraw/zinc/53/92/30/683539230.db2.gz	SEBUSWMNVWPAAV-XJKSGUPXSA-N	-1	0	351.447	2.335	20	10		FECDRM
CC[S@](C)(=O)=NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000867270146	684235808	/nfs/dbraw/zinc/23/58/08/684235808.db2.gz	LIYHIORGJRGRQL-IBGZPJMESA-N	-1	0	361.272	2.151	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)[C@H](C)CCSC)cc1	ZINC000872990828	685044469	/nfs/dbraw/zinc/04/44/69/685044469.db2.gz	PKARKKQWVPEABY-CYBMUJFWSA-N	-1	0	354.472	2.186	20	10		FECDRM
CC[C@H](C(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000911291939	685195337	/nfs/dbraw/zinc/19/53/37/685195337.db2.gz	LIYBNBUAHPDEAC-AWEZNQCLSA-N	-1	0	356.369	2.484	20	10		FECDRM
C[C@H](NC(=O)c1csc(C(=O)[O-])n1)c1ccc(N2CCOCC2)cc1	ZINC000911294124	685196364	/nfs/dbraw/zinc/19/63/64/685196364.db2.gz	VMHVGTPDMDLCFO-NSHDSACASA-N	-1	0	361.423	2.169	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2n(n1)CCCC2	ZINC000911359814	685202454	/nfs/dbraw/zinc/20/24/54/685202454.db2.gz	HLSXVGYICAADHL-UHFFFAOYSA-N	-1	0	363.801	2.305	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cnn2c1CCCC2	ZINC000911360395	685202951	/nfs/dbraw/zinc/20/29/51/685202951.db2.gz	RIRDKUVWVLSLDY-UHFFFAOYSA-N	-1	0	363.801	2.305	20	10		FECDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1cnc([C@H]2CCCO2)s1	ZINC000911491904	685216803	/nfs/dbraw/zinc/21/68/03/685216803.db2.gz	VTXXHSDVZWDOMC-CYBMUJFWSA-N	-1	0	362.407	2.427	20	10		FECDRM
CS(=O)(=O)C1CN(Cc2cc(Cl)cc(Br)c2[O-])C1	ZINC000894962040	689630082	/nfs/dbraw/zinc/63/00/82/689630082.db2.gz	GGBDWODVONTXAA-UHFFFAOYSA-N	-1	0	354.653	2.037	20	10		FECDRM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)cc1OC	ZINC000901705007	690682014	/nfs/dbraw/zinc/68/20/14/690682014.db2.gz	YKNRGKAYAHSIHU-UHFFFAOYSA-N	-1	0	371.386	2.366	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3cnn(C4CCC4)c3)n2)cn1	ZINC000903606970	690937362	/nfs/dbraw/zinc/93/73/62/690937362.db2.gz	SLYJMKDCARDIDW-UHFFFAOYSA-N	-1	0	364.456	2.266	20	10		FECDRM
CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000029324250	539850398	/nfs/dbraw/zinc/85/03/98/539850398.db2.gz	ZCDLNIFEQHMGQH-UHFFFAOYSA-N	-1	0	363.424	2.243	20	10		FECDRM
C[C@@H](CS(C)(=O)=O)N(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000093392133	542929835	/nfs/dbraw/zinc/92/98/35/542929835.db2.gz	ACXZROFXROMCCK-VIFPVBQESA-N	-1	0	362.835	2.351	20	10		FECDRM
O=C(NCCCN1CCOCC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000806274723	674371699	/nfs/dbraw/zinc/37/16/99/674371699.db2.gz	MFBDHBDVRPUYNC-UHFFFAOYSA-N	-1	0	362.257	2.221	20	10		FECDRM
O=C(c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c[nH]1)N1CCCC1	ZINC000182491866	547502510	/nfs/dbraw/zinc/50/25/10/547502510.db2.gz	KSDBHNZUTRAMAZ-UHFFFAOYSA-N	-1	0	369.830	2.411	20	10		FECDRM
C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000192731766	548372277	/nfs/dbraw/zinc/37/22/77/548372277.db2.gz	WGENONAIUMKTDX-JOCHJYFZSA-N	-1	0	367.477	2.371	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(C)c(C)c1O	ZINC000274786650	550554443	/nfs/dbraw/zinc/55/44/43/550554443.db2.gz	LPKGTHDHHGPEMS-CYBMUJFWSA-N	-1	0	351.428	2.276	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1	ZINC000291937009	552676670	/nfs/dbraw/zinc/67/66/70/552676670.db2.gz	PCVJDQAXMFOALL-UHFFFAOYSA-N	-1	0	366.395	2.082	20	10		FECDRM
O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)CN1	ZINC000532932841	562492855	/nfs/dbraw/zinc/49/28/55/562492855.db2.gz	QFBNGVOGUYOGLP-LLVKDONJSA-N	-1	0	374.447	2.096	20	10		FECDRM
O=C([O-])CSCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819539758	597144858	/nfs/dbraw/zinc/14/48/58/597144858.db2.gz	PFEXVPQEETXPGZ-NSHDSACASA-N	-1	0	374.409	2.191	20	10		FECDRM
CC(C)C(=O)N1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736345470	599767781	/nfs/dbraw/zinc/76/77/81/599767781.db2.gz	PSEHMELMCJRNCV-FNORWQNLSA-N	-1	0	361.398	2.387	20	10		FECDRM
O=C([O-])CN(CC(=O)NCc1ccccc1)Cc1cc(Cl)ccc1O	ZINC000739783909	600144904	/nfs/dbraw/zinc/14/49/04/600144904.db2.gz	YWTQOIUFDGCJFX-UHFFFAOYSA-N	-1	0	362.813	2.249	20	10		FECDRM
O=C([O-])CN(CC(=O)NC(C1CC1)C1CC1)Cc1cc(Cl)ccc1O	ZINC000739783904	600145187	/nfs/dbraw/zinc/14/51/87/600145187.db2.gz	YLRRUABALNMNAY-UHFFFAOYSA-N	-1	0	366.845	2.237	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000738401455	600235515	/nfs/dbraw/zinc/23/55/15/600235515.db2.gz	CYXCQJRWEJROLN-UHFFFAOYSA-N	-1	0	362.451	2.379	20	10		FECDRM
O=C([O-])c1ccc(S(=O)(=O)NCCCSc2nccs2)cc1	ZINC000738690295	600400389	/nfs/dbraw/zinc/40/03/89/600400389.db2.gz	VVDCHUWJCYTNIB-UHFFFAOYSA-N	-1	0	358.466	2.302	20	10		FECDRM
O=C([O-])c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	ZINC000833143971	600921827	/nfs/dbraw/zinc/92/18/27/600921827.db2.gz	LFDFZJJNYKPJOZ-UHFFFAOYSA-N	-1	0	368.389	2.224	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC000832425550	601164413	/nfs/dbraw/zinc/16/44/13/601164413.db2.gz	ZWLSEYWWXQJFNA-NSHDSACASA-N	-1	0	372.377	2.223	20	10		FECDRM
CCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000739315651	601864542	/nfs/dbraw/zinc/86/45/42/601864542.db2.gz	KHBPURACZJPOAK-HNNXBMFYSA-N	-1	0	351.472	2.292	20	10		FECDRM
O=C([O-])c1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(F)cc1F	ZINC000833145443	602275473	/nfs/dbraw/zinc/27/54/73/602275473.db2.gz	GRHIUVMHKMROIR-UHFFFAOYSA-N	-1	0	352.293	2.438	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1	ZINC000739926110	602418696	/nfs/dbraw/zinc/41/86/96/602418696.db2.gz	ZEEQLCXOMCWASN-NWDGAFQWSA-N	-1	0	351.403	2.294	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])cc1F	ZINC000739415765	602631356	/nfs/dbraw/zinc/63/13/56/602631356.db2.gz	ZXDXXMUNZVLTTK-LBPRGKRZSA-N	-1	0	354.426	2.469	20	10		FECDRM
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000809688225	674504961	/nfs/dbraw/zinc/50/49/61/674504961.db2.gz	FDIYWVKLEDLNSV-LBPRGKRZSA-N	-1	0	350.843	2.041	20	10		FECDRM
O=C([O-])N1CCCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000740446164	602838593	/nfs/dbraw/zinc/83/85/93/602838593.db2.gz	CXDABOYOBLARFU-KRWDZBQOSA-N	-1	0	358.442	2.395	20	10		FECDRM
CCOc1ncccc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827465876	603023284	/nfs/dbraw/zinc/02/32/84/603023284.db2.gz	TXXNRUWEMCQNPJ-MRXNPFEDSA-N	-1	0	372.425	2.285	20	10		FECDRM
CC(=O)c1c[nH]c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000823627387	603030277	/nfs/dbraw/zinc/03/02/77/603030277.db2.gz	GEPOAMRPSFROAW-MRXNPFEDSA-N	-1	0	358.398	2.022	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)NC(=O)[O-])cc1	ZINC000828056985	603032231	/nfs/dbraw/zinc/03/22/31/603032231.db2.gz	YDBQJBPWAANHDN-SJLPKXTDSA-N	-1	0	369.421	2.181	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cccnc2)NC(=O)[O-])cc1	ZINC000828063530	603034167	/nfs/dbraw/zinc/03/41/67/603034167.db2.gz	GLXVSMIWROEXBE-OCKNTNFFSA-N	-1	0	354.410	2.286	20	10		FECDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000739199289	603117188	/nfs/dbraw/zinc/11/71/88/603117188.db2.gz	GGAWRZBJBSNTFY-XJKSGUPXSA-N	-1	0	361.442	2.406	20	10		FECDRM
CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)[O-]	ZINC000739394579	603382016	/nfs/dbraw/zinc/38/20/16/603382016.db2.gz	MQWIQIQMVKEUPD-CHWSQXEVSA-N	-1	0	367.421	2.055	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)CC3(NC(=O)[O-])CCC3)CC2)cc1	ZINC000829424930	604111666	/nfs/dbraw/zinc/11/16/66/604111666.db2.gz	VTEGERGNQYRDBU-UHFFFAOYSA-N	-1	0	361.442	2.314	20	10		FECDRM
O=C([O-])N1CCC(CNC(=O)NCCCSc2nccs2)CC1	ZINC000831680552	604335011	/nfs/dbraw/zinc/33/50/11/604335011.db2.gz	JULWDPFBYKVRLU-UHFFFAOYSA-N	-1	0	358.489	2.315	20	10		FECDRM
CN(C(=O)NCCCSc1nccs1)C1CCN(C(=O)[O-])CC1	ZINC000827793624	604337112	/nfs/dbraw/zinc/33/71/12/604337112.db2.gz	DBOPJSQGBFXVPP-UHFFFAOYSA-N	-1	0	358.489	2.409	20	10		FECDRM
O=C([O-])c1csc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1	ZINC000833145752	604479483	/nfs/dbraw/zinc/47/94/83/604479483.db2.gz	XYSYNPQAXSADHG-UHFFFAOYSA-N	-1	0	373.434	2.301	20	10		FECDRM
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000830636409	604619368	/nfs/dbraw/zinc/61/93/68/604619368.db2.gz	XQJPEGFCAYHRDT-UHFFFAOYSA-N	-1	0	372.425	2.420	20	10		FECDRM
CN(C)C(=O)c1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)[nH]1	ZINC000833687538	604637308	/nfs/dbraw/zinc/63/73/08/604637308.db2.gz	SZYAYABNHFFUGP-UHFFFAOYSA-N	-1	0	365.817	2.162	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1F	ZINC000827052080	604854015	/nfs/dbraw/zinc/85/40/15/604854015.db2.gz	MMGKHJTXEYXONP-AWEZNQCLSA-N	-1	0	367.421	2.057	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000833733786	605034031	/nfs/dbraw/zinc/03/40/31/605034031.db2.gz	PWERZJSUEZLXPU-SECBINFHSA-N	-1	0	369.370	2.278	20	10		FECDRM
CC(C)(C)C(=O)NCCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833421168	605281869	/nfs/dbraw/zinc/28/18/69/605281869.db2.gz	XDMYVPKOUBFODF-UHFFFAOYSA-N	-1	0	370.833	2.011	20	10		FECDRM
O=C([O-])N1CCC[C@@H](OCC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831518011	605366154	/nfs/dbraw/zinc/36/61/54/605366154.db2.gz	XDBVLPJFFIWPLK-CQSZACIVSA-N	-1	0	362.426	2.046	20	10		FECDRM
CC(=O)Nc1ccc(NC(=O)CN(C)c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000833400009	605436966	/nfs/dbraw/zinc/43/69/66/605436966.db2.gz	UXEHLSCRNNMRKG-UHFFFAOYSA-N	-1	0	371.393	2.183	20	10		FECDRM
CC(=O)c1ccccc1NC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000833403462	605440296	/nfs/dbraw/zinc/44/02/96/605440296.db2.gz	LPBDPMIFHVQVME-UHFFFAOYSA-N	-1	0	356.378	2.428	20	10		FECDRM
O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000834041869	605440317	/nfs/dbraw/zinc/44/03/17/605440317.db2.gz	AXYZJIIABCDCCP-QGZVFWFLSA-N	-1	0	356.378	2.034	20	10		FECDRM
O=C([O-])NC1CCN(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1	ZINC000832386545	605673535	/nfs/dbraw/zinc/67/35/35/605673535.db2.gz	FUTYOFSXNOAXRV-UHFFFAOYSA-N	-1	0	374.485	2.025	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	ZINC000833815479	605677869	/nfs/dbraw/zinc/67/78/69/605677869.db2.gz	HROQGNBAKVFXRJ-GHMZBOCLSA-N	-1	0	358.489	2.313	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1	ZINC000829484313	605899789	/nfs/dbraw/zinc/89/97/89/605899789.db2.gz	RJLUBQJESIIHPT-WDEREUQCSA-N	-1	0	354.428	2.064	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)OC)c1	ZINC000811701355	674621291	/nfs/dbraw/zinc/62/12/91/674621291.db2.gz	VGOVYQJESWQWTF-UHFFFAOYSA-N	-1	0	365.407	2.307	20	10		FECDRM
COCCc1noc(CN(C)Cc2cccc(Br)c2[O-])n1	ZINC000093587317	670754216	/nfs/dbraw/zinc/75/42/16/670754216.db2.gz	HUIFLTRPNXBNGJ-UHFFFAOYSA-N	-1	0	356.220	2.359	20	10		FECDRM
O=S(=O)([N-]c1ccc(OCCCO)cc1)c1cccc2nsnc21	ZINC000577130810	671418777	/nfs/dbraw/zinc/41/87/77/671418777.db2.gz	WQSIVYSRDWBJJR-UHFFFAOYSA-N	-1	0	365.436	2.253	20	10		FECDRM
O=C(NCC(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000175262553	672366673	/nfs/dbraw/zinc/36/66/73/672366673.db2.gz	QCZIJWYQFURQLP-UHFFFAOYSA-N	-1	0	362.379	2.249	20	10		FECDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000181716157	672430022	/nfs/dbraw/zinc/43/00/22/672430022.db2.gz	VADPQGCUJLLQJM-UHFFFAOYSA-N	-1	0	350.440	2.109	20	10		FECDRM
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1O	ZINC000326765347	673055214	/nfs/dbraw/zinc/05/52/14/673055214.db2.gz	PGFFYCRCUPVACC-UHFFFAOYSA-N	-1	0	365.363	2.053	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)c[nH]1	ZINC000743046082	673747667	/nfs/dbraw/zinc/74/76/67/673747667.db2.gz	OANLEHWFJDIWIQ-UHFFFAOYSA-N	-1	0	364.408	2.121	20	10		FECDRM
CCc1ncc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)s1	ZINC000763495369	680784378	/nfs/dbraw/zinc/78/43/78/680784378.db2.gz	RQTBUVGSIDRFSQ-UHFFFAOYSA-N	-1	0	355.470	2.363	20	10		FECDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000764194936	680802449	/nfs/dbraw/zinc/80/24/49/680802449.db2.gz	PCVPQBIPYFWGMP-CQSZACIVSA-N	-1	0	364.467	2.497	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)OC	ZINC000840917660	680853080	/nfs/dbraw/zinc/85/30/80/680853080.db2.gz	LUGDMVQKLQCNRU-UHFFFAOYSA-N	-1	0	371.436	2.496	20	10		FECDRM
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000757653855	680530359	/nfs/dbraw/zinc/53/03/59/680530359.db2.gz	CDCIQVIIPJDADW-UHFFFAOYSA-N	-1	0	364.379	2.240	20	10		FECDRM
CN(CC(=O)NCc1ccco1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000768194376	680940196	/nfs/dbraw/zinc/94/01/96/680940196.db2.gz	WAMYUHQRCPXYPU-UHFFFAOYSA-N	-1	0	353.762	2.295	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1[O-]	ZINC000769410350	680981693	/nfs/dbraw/zinc/98/16/93/680981693.db2.gz	BMKPMCZOUVFWHC-GXTWGEPZSA-N	-1	0	374.846	2.495	20	10		FECDRM
CS(=O)(=O)[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844220310	681045290	/nfs/dbraw/zinc/04/52/90/681045290.db2.gz	YXDBXBBORDYYSQ-SCXUMTSISA-N	-1	0	368.411	2.096	20	10		FECDRM
C[C@@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844782712	681082118	/nfs/dbraw/zinc/08/21/18/681082118.db2.gz	FKIQGRHBYHJRQB-NSHDSACASA-N	-1	0	357.428	2.427	20	10		FECDRM
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286016	681291953	/nfs/dbraw/zinc/29/19/53/681291953.db2.gz	JRBRJQNTXCOBRN-UHFFFAOYSA-N	-1	0	351.340	2.060	20	10		FECDRM
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cccc(Br)c1[O-]	ZINC000779146072	681684605	/nfs/dbraw/zinc/68/46/05/681684605.db2.gz	YVYVUPYHXAXNPJ-WCQYABFASA-N	-1	0	358.232	2.307	20	10		FECDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000779210564	681689134	/nfs/dbraw/zinc/68/91/34/681689134.db2.gz	YZVHUFZFFMASNJ-AWEZNQCLSA-N	-1	0	364.467	2.497	20	10		FECDRM
CCOc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cn1	ZINC000781646456	681957388	/nfs/dbraw/zinc/95/73/88/681957388.db2.gz	PDCMYLYTPCXGCG-UHFFFAOYSA-N	-1	0	365.440	2.138	20	10		FECDRM
Cc1nnc(NNC(=S)Nc2cccc(OC(F)(F)F)c2)[n-]c1=O	ZINC000783720990	682169250	/nfs/dbraw/zinc/16/92/50/682169250.db2.gz	MSQAKXJWFODEER-UHFFFAOYSA-N	-1	0	360.321	2.098	20	10		FECDRM
COC[C@H](C)OC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408097	682295282	/nfs/dbraw/zinc/29/52/82/682295282.db2.gz	QGIMXNFAUWWVLE-JTQLQIEISA-N	-1	0	371.436	2.446	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2ncc(C)s2)cc1	ZINC000853005372	682363417	/nfs/dbraw/zinc/36/34/17/682363417.db2.gz	HQQLWFWWKKXLDZ-GFCCVEGCSA-N	-1	0	363.439	2.229	20	10		FECDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1	ZINC000788545725	682538005	/nfs/dbraw/zinc/53/80/05/682538005.db2.gz	XFFRWNFYUTYQRI-UHFFFAOYSA-N	-1	0	365.392	2.386	20	10		FECDRM
Cc1nc(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cs1	ZINC000911353474	685202013	/nfs/dbraw/zinc/20/20/13/685202013.db2.gz	IVTUKJRJLNHHHQ-UHFFFAOYSA-N	-1	0	354.815	2.466	20	10		FECDRM
CCc1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n(C)n1	ZINC000911360018	685202627	/nfs/dbraw/zinc/20/26/27/685202627.db2.gz	KXWRRMVQBRJLPC-UHFFFAOYSA-N	-1	0	351.790	2.069	20	10		FECDRM
COCc1ncc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)s1	ZINC000911360580	685202959	/nfs/dbraw/zinc/20/29/59/685202959.db2.gz	VJLIEJDYXVLSCV-UHFFFAOYSA-N	-1	0	370.814	2.376	20	10		FECDRM
Cn1nc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1C1CC1	ZINC000911360453	685203024	/nfs/dbraw/zinc/20/30/24/685203024.db2.gz	UIOCGKXVPBXYGC-UHFFFAOYSA-N	-1	0	363.801	2.384	20	10		FECDRM
O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1C[C@@H]2CC[C@H]1O2	ZINC000882197764	687322283	/nfs/dbraw/zinc/32/22/83/687322283.db2.gz	MPQYYDYEZRHYNN-WCQGTBRESA-N	-1	0	352.239	2.438	20	10		FECDRM
CC[C@H](NCc1nnc2n1CCNC2=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000883305105	687604852	/nfs/dbraw/zinc/60/48/52/687604852.db2.gz	OWMNOWQKDJMRMU-NSHDSACASA-N	-1	0	370.240	2.275	20	10		FECDRM
COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000894002470	689447034	/nfs/dbraw/zinc/44/70/34/689447034.db2.gz	PPGOZRCPZOEWKE-LLVKDONJSA-N	-1	0	364.623	2.182	20	10		FECDRM
C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1C(=O)c1cscn1	ZINC000894966898	689631451	/nfs/dbraw/zinc/63/14/51/689631451.db2.gz	MLOGBRIZTSCHTI-JTQLQIEISA-N	-1	0	353.394	2.473	20	10		FECDRM
O=C1OCC[C@@H]1NCc1cc(Br)cc(Br)c1[O-]	ZINC000895802222	689773478	/nfs/dbraw/zinc/77/34/78/689773478.db2.gz	PIWAFNCSUITADK-VIFPVBQESA-N	-1	0	365.021	2.322	20	10		FECDRM
NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000063182833	541158023	/nfs/dbraw/zinc/15/80/23/541158023.db2.gz	DCVGMQDVKLRZMJ-UHFFFAOYSA-N	-1	0	368.827	2.244	20	10		FECDRM
Cc1nn(-c2ccccn2)c(C)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000801647294	674141504	/nfs/dbraw/zinc/14/15/04/674141504.db2.gz	IUTUDJBPOTWKBD-GHXNOFRVSA-N	-1	0	374.447	2.170	20	10		FECDRM
O=c1[n-]c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n[nH]1	ZINC000091579938	542813206	/nfs/dbraw/zinc/81/32/06/542813206.db2.gz	BDPZZAYNGYQUJV-CYBMUJFWSA-N	-1	0	357.439	2.433	20	10		FECDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093420499	542931124	/nfs/dbraw/zinc/93/11/24/542931124.db2.gz	GBYBDVBLHSFPSU-IUCAKERBSA-N	-1	0	350.824	2.207	20	10		FECDRM
O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])c1cnc2n1CCC2	ZINC000805135309	674321831	/nfs/dbraw/zinc/32/18/31/674321831.db2.gz	IWOZEWYNQYWPMS-UHFFFAOYSA-N	-1	0	362.238	2.320	20	10		FECDRM
COC(=O)CCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805134813	674321954	/nfs/dbraw/zinc/32/19/54/674321954.db2.gz	KILPYCMDFUCUHB-UHFFFAOYSA-N	-1	0	356.227	2.072	20	10		FECDRM
C[C@@H]1COCCN1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805187352	674324897	/nfs/dbraw/zinc/32/48/97/674324897.db2.gz	JRGFPCXYXCCUCH-SNVBAGLBSA-N	-1	0	362.257	2.219	20	10		FECDRM
C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273438471	550498597	/nfs/dbraw/zinc/49/85/97/550498597.db2.gz	XTMILSIPKAMNAF-CYBMUJFWSA-N	-1	0	358.398	2.383	20	10		FECDRM
CC(C)OCCCc1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	ZINC000273796840	550511665	/nfs/dbraw/zinc/51/16/65/550511665.db2.gz	GDJUCNRKRQBANQ-UHFFFAOYSA-N	-1	0	355.416	2.171	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCCCO1	ZINC000276110080	550576745	/nfs/dbraw/zinc/57/67/45/550576745.db2.gz	ZVHFMEIYNBSDKF-UHFFFAOYSA-N	-1	0	368.436	2.422	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C(F)(F)F)c1O	ZINC000361816095	554936676	/nfs/dbraw/zinc/93/66/76/554936676.db2.gz	RRCDRTNHHSXNRF-TVQRCGJNSA-N	-1	0	362.323	2.362	20	10		FECDRM
Cc1cc(Br)c([O-])c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1	ZINC000529669585	562380765	/nfs/dbraw/zinc/38/07/65/562380765.db2.gz	ZFIVLPXECGUEHA-IYBDPMFKSA-N	-1	0	358.276	2.276	20	10		FECDRM
CC(C)NC(=O)CNC(=S)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000806598556	674382842	/nfs/dbraw/zinc/38/28/42/674382842.db2.gz	JMQTUWHHRVYSGN-UHFFFAOYSA-N	-1	0	350.271	2.188	20	10		FECDRM
O=C([O-])c1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000821437750	598174745	/nfs/dbraw/zinc/17/47/45/598174745.db2.gz	PGYHDYHFODKLGL-UHFFFAOYSA-N	-1	0	365.389	2.016	20	10		FECDRM
CN(C)c1ccc(CNC(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)cc1	ZINC000737378067	600082646	/nfs/dbraw/zinc/08/26/46/600082646.db2.gz	QZBXHYYZWYWOCS-UHFFFAOYSA-N	-1	0	353.422	2.083	20	10		FECDRM
COc1ccc([C@H](CC(=O)[O-])NC(=O)C2=CC(=O)CS2)cc1OC	ZINC000737952687	600166157	/nfs/dbraw/zinc/16/61/57/600166157.db2.gz	OBIYDNLJMQWTSF-NSHDSACASA-N	-1	0	351.380	2.417	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC(=O)[O-]	ZINC000323923574	600401777	/nfs/dbraw/zinc/40/17/77/600401777.db2.gz	WDXYFWRNRMMSFL-UHFFFAOYSA-N	-1	0	354.472	2.303	20	10		FECDRM
COC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)cc1C(=O)[O-]	ZINC000831423616	600658706	/nfs/dbraw/zinc/65/87/06/600658706.db2.gz	HFYLRKWNYFAKLL-UHFFFAOYSA-N	-1	0	374.349	2.207	20	10		FECDRM
COC(=O)c1cc(NC(=O)NCc2cc(OC)ccc2O)ccc1C(=O)[O-]	ZINC000831301451	600661757	/nfs/dbraw/zinc/66/17/57/600661757.db2.gz	ZFVVTENHLWUTNJ-UHFFFAOYSA-N	-1	0	374.349	2.207	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829687047	600715933	/nfs/dbraw/zinc/71/59/33/600715933.db2.gz	DOZDDNYYZVWBFG-UHFFFAOYSA-N	-1	0	351.428	2.038	20	10		FECDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000833179264	600921114	/nfs/dbraw/zinc/92/11/14/600921114.db2.gz	OBMFSJHZCOQMKA-LERXQTSPSA-N	-1	0	354.353	2.094	20	10		FECDRM
O=C([O-])c1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1	ZINC000833144131	600922940	/nfs/dbraw/zinc/92/29/40/600922940.db2.gz	PWPXYMTVBOOWFB-UHFFFAOYSA-N	-1	0	368.389	2.224	20	10		FECDRM
CNC(=O)c1cncc(/C=C\C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1	ZINC000737553286	601026205	/nfs/dbraw/zinc/02/62/05/601026205.db2.gz	YGTCXCWXNXIPRA-WAYWQWQTSA-N	-1	0	371.368	2.101	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000737476590	601126270	/nfs/dbraw/zinc/12/62/70/601126270.db2.gz	KWAGUFNCFBHGLW-IRXDYDNUSA-N	-1	0	360.454	2.373	20	10		FECDRM
Cn1cc(C[C@@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)cn1	ZINC000833045501	601200896	/nfs/dbraw/zinc/20/08/96/601200896.db2.gz	YGRDPMJMTNCTND-MFBWXBCUSA-N	-1	0	356.382	2.495	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1C(=O)[O-]	ZINC000828361860	601651594	/nfs/dbraw/zinc/65/15/94/601651594.db2.gz	KZSXGTGNEPTBMG-CZUORRHYSA-N	-1	0	363.483	2.102	20	10		FECDRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc(F)c1F	ZINC000751141150	601828448	/nfs/dbraw/zinc/82/84/48/601828448.db2.gz	AWVNDULLHCRVHQ-UHFFFAOYSA-N	-1	0	357.290	2.193	20	10		FECDRM
O=C([O-])N1CCC(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	ZINC000740447857	602015872	/nfs/dbraw/zinc/01/58/72/602015872.db2.gz	QNRIAJMCLUTMAI-UHFFFAOYSA-N	-1	0	360.458	2.476	20	10		FECDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000828002818	602060802	/nfs/dbraw/zinc/06/08/02/602060802.db2.gz	ODIMDQNEJJGFJL-GOSISDBHSA-N	-1	0	363.483	2.246	20	10		FECDRM
C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000828002821	602060974	/nfs/dbraw/zinc/06/09/74/602060974.db2.gz	ODIMDQNEJJGFJL-SFHVURJKSA-N	-1	0	363.483	2.246	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc1F	ZINC000739643025	602148919	/nfs/dbraw/zinc/14/89/19/602148919.db2.gz	PRYUTJUILQSLFV-CQSZACIVSA-N	-1	0	366.437	2.423	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1	ZINC000738098940	602254845	/nfs/dbraw/zinc/25/48/45/602254845.db2.gz	VAENVRMQRPXVJS-AWEZNQCLSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cc1F	ZINC000739619789	602652744	/nfs/dbraw/zinc/65/27/44/602652744.db2.gz	ZKTTZVPIZOVOMJ-ZDUSSCGKSA-N	-1	0	366.437	2.471	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1	ZINC000739909716	602964846	/nfs/dbraw/zinc/96/48/46/602964846.db2.gz	MLPQGMVADDBDGG-SJORKVTESA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)/C=C\C2CCOCC2)NC(=O)[O-])cc1	ZINC000828063153	603025608	/nfs/dbraw/zinc/02/56/08/603025608.db2.gz	AUUKSLNTNKZMKN-MGEKVANASA-N	-1	0	361.442	2.160	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CSc2ccncc2)NC(=O)[O-])cc1	ZINC000828063920	603030782	/nfs/dbraw/zinc/03/07/82/603030782.db2.gz	JHXXLJZHPLKBAQ-MRXNPFEDSA-N	-1	0	374.466	2.365	20	10		FECDRM
CN1CCCc2cc(CNC(=O)NC3CCC(NC(=O)[O-])CC3)ccc21	ZINC000739732641	603106083	/nfs/dbraw/zinc/10/60/83/603106083.db2.gz	ZNCJZOXLSPBFFL-UHFFFAOYSA-N	-1	0	360.458	2.447	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)[O-])o3)CC2)cc1	ZINC000829425010	603223391	/nfs/dbraw/zinc/22/33/91/603223391.db2.gz	XIAMTXAJFZLDDB-UHFFFAOYSA-N	-1	0	359.382	2.018	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc(NC=O)cc2)NC(=O)[O-])cc1	ZINC000828064314	603854258	/nfs/dbraw/zinc/85/42/58/603854258.db2.gz	OECOFESBLPCKRS-KRWDZBQOSA-N	-1	0	370.409	2.060	20	10		FECDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000824825319	604220353	/nfs/dbraw/zinc/22/03/53/604220353.db2.gz	REGDFIPVWVBCNS-ZFWWWQNUSA-N	-1	0	350.415	2.146	20	10		FECDRM
C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000827653872	604503110	/nfs/dbraw/zinc/50/31/10/604503110.db2.gz	SSFHMEGJJAQWTH-YOEHRIQHSA-N	-1	0	361.442	2.233	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000832889360	604539654	/nfs/dbraw/zinc/53/96/54/604539654.db2.gz	QPKFBONSDCGHHK-UHFFFAOYSA-N	-1	0	361.423	2.076	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)Cc3ccccc3C(=O)[O-])ccc21	ZINC000833698021	605023127	/nfs/dbraw/zinc/02/31/27/605023127.db2.gz	VWRBTLKUHBLOQD-UHFFFAOYSA-N	-1	0	374.462	2.387	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000833733702	605036311	/nfs/dbraw/zinc/03/63/11/605036311.db2.gz	MQPPCNMAFXXDGF-UHFFFAOYSA-N	-1	0	365.407	2.194	20	10		FECDRM
O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(O)c(O)c1	ZINC000834252839	605546648	/nfs/dbraw/zinc/54/66/48/605546648.db2.gz	VIMZIRNFDFBACQ-HNNXBMFYSA-N	-1	0	369.377	2.074	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000828359893	605588972	/nfs/dbraw/zinc/58/89/72/605588972.db2.gz	ITHLTAJUUYTXGZ-MRXNPFEDSA-N	-1	0	363.458	2.164	20	10		FECDRM
COc1cccc(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])c1O	ZINC000829560429	605876112	/nfs/dbraw/zinc/87/61/12/605876112.db2.gz	RCYXAWPFBFECHX-MRXNPFEDSA-N	-1	0	356.378	2.294	20	10		FECDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1	ZINC000811705253	674621604	/nfs/dbraw/zinc/62/16/04/674621604.db2.gz	QLRWZYTUCIIEQG-UHFFFAOYSA-N	-1	0	353.444	2.468	20	10		FECDRM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000019101315	670028161	/nfs/dbraw/zinc/02/81/61/670028161.db2.gz	XTMXNHDMOCQWCU-UHFFFAOYSA-N	-1	0	362.436	2.194	20	10		FECDRM
CCC[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nnn[n-]1	ZINC000817956996	675188057	/nfs/dbraw/zinc/18/80/57/675188057.db2.gz	HBGPXSCYTITBPV-LBPRGKRZSA-N	-1	0	357.443	2.100	20	10		FECDRM
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000162141800	672302254	/nfs/dbraw/zinc/30/22/54/672302254.db2.gz	LGKIYCRQBIGRSR-UHFFFAOYSA-N	-1	0	360.395	2.162	20	10		FECDRM
C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1cc(F)c(Cl)cc1Cl	ZINC000194963188	672772808	/nfs/dbraw/zinc/77/28/08/672772808.db2.gz	QAVWMWJGBKNDQA-RXMQYKEDSA-N	-1	0	362.213	2.198	20	10		FECDRM
CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765090157	680830802	/nfs/dbraw/zinc/83/08/02/680830802.db2.gz	OTPJGTIETJRKRK-UHFFFAOYSA-N	-1	0	363.395	2.173	20	10		FECDRM
COCCCOc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765096090	680830864	/nfs/dbraw/zinc/83/08/64/680830864.db2.gz	RTYMNFSDKKEYMK-UHFFFAOYSA-N	-1	0	363.395	2.439	20	10		FECDRM
O=S(=O)(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1[O-]	ZINC000753018147	680270923	/nfs/dbraw/zinc/27/09/23/680270923.db2.gz	UDGYYQWTCVUXSO-UHFFFAOYSA-N	-1	0	370.312	2.191	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1NC(C)=O	ZINC000753022450	680271263	/nfs/dbraw/zinc/27/12/63/680271263.db2.gz	WPAVOBZCCLMENB-UHFFFAOYSA-N	-1	0	372.349	2.438	20	10		FECDRM
Cc1cc(Br)c([O-])c(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)c1	ZINC000843037811	680984177	/nfs/dbraw/zinc/98/41/77/680984177.db2.gz	BLBIYPSNZQMNNM-LBPRGKRZSA-N	-1	0	354.204	2.112	20	10		FECDRM
Cn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(-c2cccs2)n1	ZINC000769550533	680986836	/nfs/dbraw/zinc/98/68/36/680986836.db2.gz	AAXTUNDWVAXHSY-BJMVGYQFSA-N	-1	0	365.461	2.434	20	10		FECDRM
CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000844744022	681078907	/nfs/dbraw/zinc/07/89/07/681078907.db2.gz	DDQZWQMRAXSDBP-UHFFFAOYSA-N	-1	0	352.406	2.170	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1	ZINC000849308999	681683034	/nfs/dbraw/zinc/68/30/34/681683034.db2.gz	XSXLJSQBXIHWSH-OAHLLOKOSA-N	-1	0	357.428	2.126	20	10		FECDRM
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cccc(Br)c1[O-]	ZINC000779146066	681684922	/nfs/dbraw/zinc/68/49/22/681684922.db2.gz	YVYVUPYHXAXNPJ-AAEUAGOBSA-N	-1	0	358.232	2.307	20	10		FECDRM
C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C(=O)[O-]	ZINC000849366163	681695855	/nfs/dbraw/zinc/69/58/55/681695855.db2.gz	OACZDFQVMBSXQL-BXUZGUMPSA-N	-1	0	359.451	2.499	20	10		FECDRM
CCn1ncc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000850455114	681903988	/nfs/dbraw/zinc/90/39/88/681903988.db2.gz	VTZFBVXACIFHQG-UHFFFAOYSA-N	-1	0	371.224	2.479	20	10		FECDRM
O=C([O-])c1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1	ZINC000915220645	685513288	/nfs/dbraw/zinc/51/32/88/685513288.db2.gz	JZGKVLFERPXLDR-UHFFFAOYSA-N	-1	0	360.435	2.464	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@@]2(C)CC2(F)F)cc1	ZINC000853011080	682363255	/nfs/dbraw/zinc/36/32/55/682363255.db2.gz	SFJOQAIJQTVWBP-INIZCTEOSA-N	-1	0	356.369	2.138	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCCC2(F)F)cc1	ZINC000853010917	682363439	/nfs/dbraw/zinc/36/34/39/682363439.db2.gz	QNXXQHUDGDJBBP-GFCCVEGCSA-N	-1	0	356.369	2.138	20	10		FECDRM
Cc1ccc(NC(=O)c2c([O-])c(O)ccc2F)cc1S(=O)(=O)N(C)C	ZINC000789940480	682639960	/nfs/dbraw/zinc/63/99/60/682639960.db2.gz	AWYQILCQFCICKG-UHFFFAOYSA-N	-1	0	368.386	2.048	20	10		FECDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000792702403	682828933	/nfs/dbraw/zinc/82/89/33/682828933.db2.gz	SNXSAVCJHHVRCD-JTQLQIEISA-N	-1	0	355.441	2.073	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)c(C)n1-c1ccc(F)cc1	ZINC000919670445	683290995	/nfs/dbraw/zinc/29/09/95/683290995.db2.gz	XYKGZNJTMAQUGP-UHFFFAOYSA-N	-1	0	365.430	2.304	20	10		FECDRM
CN1CCc2c(cccc2[N-]S(=O)(=O)c2cccc3nsnc32)C1	ZINC000799122453	683424333	/nfs/dbraw/zinc/42/43/33/683424333.db2.gz	MUCOYWFXPYXSPN-UHFFFAOYSA-N	-1	0	360.464	2.480	20	10		FECDRM
Cn1nc2c(c1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O)CCCC2	ZINC000864362681	683842421	/nfs/dbraw/zinc/84/24/21/683842421.db2.gz	IWDSBEIQPZAZEX-UKTHLTGXSA-N	-1	0	365.480	2.365	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)Cc2scnc2C)cc1	ZINC000872923430	685034545	/nfs/dbraw/zinc/03/45/45/685034545.db2.gz	ITEOKXNSCANBFV-UHFFFAOYSA-N	-1	0	363.439	2.010	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCOC[C@H]1CCCO1	ZINC000911359627	685202530	/nfs/dbraw/zinc/20/25/30/685202530.db2.gz	DJHNUCQTLZZSLB-CQSZACIVSA-N	-1	0	371.817	2.045	20	10		FECDRM
CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(F)cc(F)c2[O-])cn1	ZINC000894556100	689554475	/nfs/dbraw/zinc/55/44/75/689554475.db2.gz	UHEDTZPKMSKIFI-MYYSRTQBSA-N	-1	0	355.410	2.192	20	10		FECDRM
C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[S@@](=O)C1	ZINC000894567615	689556344	/nfs/dbraw/zinc/55/63/44/689556344.db2.gz	WSVZYWOVKVPVEK-AYLIAGHASA-N	-1	0	350.253	2.494	20	10		FECDRM
CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1	ZINC000894670814	689575926	/nfs/dbraw/zinc/57/59/26/689575926.db2.gz	MBUAWBDKFKZWGW-SNVBAGLBSA-N	-1	0	368.680	2.427	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C(=O)[O-])C3CC3)cc2F)C[C@H](C)O1	ZINC000852952708	939241449	/nfs/dbraw/zinc/24/14/49/939241449.db2.gz	PJPRYHBSUZTWGV-JKDFXYPNSA-N	-1	0	364.417	2.166	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)nc1Cl	ZINC000800839274	674081438	/nfs/dbraw/zinc/08/14/38/674081438.db2.gz	BYCDWECQMVCNEI-UHFFFAOYSA-N	-1	0	356.787	2.336	20	10		FECDRM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000065420340	541236870	/nfs/dbraw/zinc/23/68/70/541236870.db2.gz	SSWGVBWIANTOIS-UHFFFAOYSA-N	-1	0	357.366	2.067	20	10		FECDRM
O=C(C1CC1)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000119056529	543663195	/nfs/dbraw/zinc/66/31/95/543663195.db2.gz	CMEOKLAXKPLISY-UHFFFAOYSA-N	-1	0	353.806	2.398	20	10		FECDRM
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cc(F)ccc2O)CC1	ZINC000179908561	547027290	/nfs/dbraw/zinc/02/72/90/547027290.db2.gz	WUUXJBCWFPIMSK-UHFFFAOYSA-N	-1	0	358.369	2.218	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@@H](C)c3nnn[n-]3)c2C)cc1	ZINC000183433839	547658338	/nfs/dbraw/zinc/65/83/38/547658338.db2.gz	ABPGNOUDLSNDDD-GFCCVEGCSA-N	-1	0	368.441	2.492	20	10		FECDRM
COC(=O)C(C)(C)c1csc(NC(=O)c2c(F)ccc(O)c2[O-])n1	ZINC000295226057	552972206	/nfs/dbraw/zinc/97/22/06/552972206.db2.gz	BWIKBZZTSLKZBI-UHFFFAOYSA-N	-1	0	354.359	2.396	20	10		FECDRM
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000370367598	556852254	/nfs/dbraw/zinc/85/22/54/556852254.db2.gz	PZMUODDWSJMXEF-WCQYABFASA-N	-1	0	358.778	2.106	20	10		FECDRM
Cc1ccc(-n2[n-]c(C(=O)NCc3ccc4c(c3)CCN4C)cc2=O)cc1	ZINC000370423569	556868825	/nfs/dbraw/zinc/86/88/25/556868825.db2.gz	UZTOBEXFEDQWII-UHFFFAOYSA-N	-1	0	362.433	2.396	20	10		FECDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000808112305	674441808	/nfs/dbraw/zinc/44/18/08/674441808.db2.gz	RCFGPVVFUPQGPY-UHFFFAOYSA-N	-1	0	359.454	2.330	20	10		FECDRM
C[C@H]1CN(c2ccc(CNC(=O)CCCNC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000736824454	599723973	/nfs/dbraw/zinc/72/39/73/599723973.db2.gz	JLVXQFIKLZFLOL-STQMWFEESA-N	-1	0	367.421	2.103	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)cc1	ZINC000737476253	600081077	/nfs/dbraw/zinc/08/10/77/600081077.db2.gz	ICIQRMLFOBQAMA-UHFFFAOYSA-N	-1	0	367.449	2.425	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000738040750	600110085	/nfs/dbraw/zinc/11/00/85/600110085.db2.gz	BXOUHSCRAWRQDG-SECBINFHSA-N	-1	0	360.322	2.498	20	10		FECDRM
C[C@H]1CCCCN1C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000828251498	601114513	/nfs/dbraw/zinc/11/45/13/601114513.db2.gz	JFXAZYNFGDTQOO-LBPRGKRZSA-N	-1	0	354.834	2.333	20	10		FECDRM
Cc1cc(C(=O)CN2CC[C@@](C)(O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832857791	601183550	/nfs/dbraw/zinc/18/35/50/601183550.db2.gz	AOLSMDVLCNQXIO-HXUWFJFHSA-N	-1	0	356.422	2.432	20	10		FECDRM
O=C([O-])C1CCN(C(=O)CN(Cc2ccco2)Cc2ccccc2O)CC1	ZINC000833190118	601602384	/nfs/dbraw/zinc/60/23/84/601602384.db2.gz	MDGUMVUFCBVRFE-UHFFFAOYSA-N	-1	0	372.421	2.311	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000740010078	601932984	/nfs/dbraw/zinc/93/29/84/601932984.db2.gz	CYDUYSPKHLMXBI-AWEZNQCLSA-N	-1	0	351.472	2.075	20	10		FECDRM
CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000739226126	602132562	/nfs/dbraw/zinc/13/25/62/602132562.db2.gz	BJSZAUDKDCFERH-RHSMWYFYSA-N	-1	0	363.458	2.416	20	10		FECDRM
O=C([O-])c1cccc2c1CCCN2S(=O)(=O)c1cccc2nonc21	ZINC000776656379	602195177	/nfs/dbraw/zinc/19/51/77/602195177.db2.gz	UOXPUHCMLZOIRA-UHFFFAOYSA-N	-1	0	359.363	2.063	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)CNC(=O)[O-])cc1F	ZINC000739415764	602631284	/nfs/dbraw/zinc/63/12/84/602631284.db2.gz	ZXDXXMUNZVLTTK-GFCCVEGCSA-N	-1	0	354.426	2.469	20	10		FECDRM
O=C([O-])N1CC[C@@H](CCNC(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740427531	602701282	/nfs/dbraw/zinc/70/12/82/602701282.db2.gz	NWNJGLFTGWFFEZ-MRXNPFEDSA-N	-1	0	360.458	2.476	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739138437	602822658	/nfs/dbraw/zinc/82/26/58/602822658.db2.gz	JGZCYVPECDOMMO-PBHICJAKSA-N	-1	0	360.458	2.474	20	10		FECDRM
O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000740576956	603026953	/nfs/dbraw/zinc/02/69/53/603026953.db2.gz	ZZAFNSWKQADOLA-CVEARBPZSA-N	-1	0	363.483	2.292	20	10		FECDRM
CC(=O)c1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n(C)c1	ZINC000823627438	603028502	/nfs/dbraw/zinc/02/85/02/603028502.db2.gz	GZHKLBHJBIBPHE-INIZCTEOSA-N	-1	0	372.425	2.032	20	10		FECDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000739203262	603125634	/nfs/dbraw/zinc/12/56/34/603125634.db2.gz	RQNLDPNADZARJQ-YGRLFVJLSA-N	-1	0	353.394	2.011	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2csc3cncn32)NC(=O)[O-])cc1	ZINC000828064116	603854113	/nfs/dbraw/zinc/85/41/13/603854113.db2.gz	LNBBMAGHXVUSCA-CYBMUJFWSA-N	-1	0	373.438	2.201	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1F	ZINC000828069006	603857036	/nfs/dbraw/zinc/85/70/36/603857036.db2.gz	XLQXYTXBIFKXDY-GXTWGEPZSA-N	-1	0	352.410	2.127	20	10		FECDRM
O=C([O-])N1CCC[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831709388	604093718	/nfs/dbraw/zinc/09/37/18/604093718.db2.gz	RRVFAHLQUWCRDB-ZDUSSCGKSA-N	-1	0	361.442	2.460	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)NCCCNC(=O)[O-]	ZINC000827156831	604108726	/nfs/dbraw/zinc/10/87/26/604108726.db2.gz	OCDNHQSWIKRLJN-UHFFFAOYSA-N	-1	0	374.235	2.344	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(O)cc2)NC(=O)[O-])cc1	ZINC000828063839	604412324	/nfs/dbraw/zinc/41/23/24/604412324.db2.gz	ITBILFIQRGXAAV-QGZVFWFLSA-N	-1	0	357.410	2.126	20	10		FECDRM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c1O	ZINC000823628420	604611646	/nfs/dbraw/zinc/61/16/46/604611646.db2.gz	PKMWXDPCHCJUSG-XPTSAGLGSA-N	-1	0	356.806	2.105	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)NC1CN(C(=O)[O-])C1	ZINC000829718353	604619538	/nfs/dbraw/zinc/61/95/38/604619538.db2.gz	IRYAVNGLLLPGBM-UHFFFAOYSA-N	-1	0	372.219	2.048	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1	ZINC000833733594	605033675	/nfs/dbraw/zinc/03/36/75/605033675.db2.gz	KVULDWZRFDGGQG-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
O=C([O-])N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	ZINC000831451009	605274555	/nfs/dbraw/zinc/27/45/55/605274555.db2.gz	NTQYIKRUTGRRGT-UHFFFAOYSA-N	-1	0	369.421	2.324	20	10		FECDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000825825028	605384244	/nfs/dbraw/zinc/38/42/44/605384244.db2.gz	WYJCWDCWBLZPDH-BBRMVZONSA-N	-1	0	360.458	2.399	20	10		FECDRM
O=C([O-])NCCOc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	ZINC000834245599	605696332	/nfs/dbraw/zinc/69/63/32/605696332.db2.gz	NLEURGAZZINJJZ-ALCCZGGFSA-N	-1	0	358.350	2.396	20	10		FECDRM
CCS(=O)(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1	ZINC000816610068	675068478	/nfs/dbraw/zinc/06/84/78/675068478.db2.gz	WVJRGRMHVVHMSY-SNVBAGLBSA-N	-1	0	350.843	2.041	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(F)c(Cl)c2)c1	ZINC000101682783	670769816	/nfs/dbraw/zinc/76/98/16/670769816.db2.gz	JJIYIXBQUWDCKI-UHFFFAOYSA-N	-1	0	372.805	2.486	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000120276664	671921859	/nfs/dbraw/zinc/92/18/59/671921859.db2.gz	YSAPXYQGTLNMCN-UHFFFAOYSA-N	-1	0	352.387	2.175	20	10		FECDRM
Cn1cc(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)cc1C(N)=O	ZINC000124525660	671998664	/nfs/dbraw/zinc/99/86/64/671998664.db2.gz	LUMNRMLOLMEVED-UHFFFAOYSA-N	-1	0	368.465	2.110	20	10		FECDRM
COC(=O)c1n[nH]c2c1CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2	ZINC000825016989	675633782	/nfs/dbraw/zinc/63/37/82/675633782.db2.gz	KLXIJUZLWMQDHT-UHFFFAOYSA-N	-1	0	366.761	2.022	20	10		FECDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1Cl	ZINC000765042632	680828421	/nfs/dbraw/zinc/82/84/21/680828421.db2.gz	ZWRXAWMYCLFUFP-UHFFFAOYSA-N	-1	0	367.770	2.464	20	10		FECDRM
O=C(COC(=O)C1=CC(=O)CS1)C1([N-]C(=O)C(F)(F)F)CCCC1	ZINC000837515512	680614325	/nfs/dbraw/zinc/61/43/25/680614325.db2.gz	UXKFBCZCGQKYRP-UHFFFAOYSA-N	-1	0	365.329	2.171	20	10		FECDRM
COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1	ZINC000776748499	681433061	/nfs/dbraw/zinc/43/30/61/681433061.db2.gz	LNBPLWMBVQDERS-UHFFFAOYSA-N	-1	0	351.380	2.297	20	10		FECDRM
COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccccc3[O-])C2)cc1	ZINC000849402321	681715362	/nfs/dbraw/zinc/71/53/62/681715362.db2.gz	YRHCKYQXPJEBAF-CQSZACIVSA-N	-1	0	362.451	2.206	20	10		FECDRM
C[C@@](NC(=O)NCc1ccc(N2CCSCC2)cc1)(C(=O)[O-])C1CC1	ZINC000780441846	681827704	/nfs/dbraw/zinc/82/77/04/681827704.db2.gz	APURIMHQBMUMEC-SFHVURJKSA-N	-1	0	363.483	2.292	20	10		FECDRM
CCOCCS(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C	ZINC000853106359	682376672	/nfs/dbraw/zinc/37/66/72/682376672.db2.gz	XRZUDXIAOSVNMH-UHFFFAOYSA-N	-1	0	364.467	2.119	20	10		FECDRM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1s[n-]c(=O)c1Cl	ZINC000856213328	682754415	/nfs/dbraw/zinc/75/44/15/682754415.db2.gz	HXLOBFVTQZCOAR-UHFFFAOYSA-N	-1	0	367.858	2.393	20	10		FECDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(O)cc1SC	ZINC000792702879	682828660	/nfs/dbraw/zinc/82/86/60/682828660.db2.gz	GZLBPIROXICWNQ-UHFFFAOYSA-N	-1	0	360.438	2.158	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000797820336	683276182	/nfs/dbraw/zinc/27/61/82/683276182.db2.gz	SBYLLKIJPBIMTI-UHFFFAOYSA-N	-1	0	369.311	2.018	20	10		FECDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	ZINC000929047058	683540083	/nfs/dbraw/zinc/54/00/83/683540083.db2.gz	YQZVJWHMRDOSGM-CJNGLKHVSA-N	-1	0	351.447	2.333	20	10		FECDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])C2)cc1	ZINC000872874836	685027787	/nfs/dbraw/zinc/02/77/87/685027787.db2.gz	QBAFDBBCSVICPZ-HZSPNIEDSA-N	-1	0	366.483	2.233	20	10		FECDRM
CC(C)c1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1O	ZINC000882798828	687496632	/nfs/dbraw/zinc/49/66/32/687496632.db2.gz	FNLHQDTZIMRQHN-ZDUSSCGKSA-N	-1	0	351.428	2.474	20	10		FECDRM
CN(Cc1nnc2n1CCC2)Cc1cc(Br)cc(F)c1[O-]	ZINC000893916536	689428615	/nfs/dbraw/zinc/42/86/15/689428615.db2.gz	KLHAUWFGPZSMSA-UHFFFAOYSA-N	-1	0	355.211	2.464	20	10		FECDRM
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894537069	689549842	/nfs/dbraw/zinc/54/98/42/689549842.db2.gz	HETIKMXAJJKNLW-WLTAIBSBSA-N	-1	0	357.223	2.380	20	10		FECDRM
O=C(NCc1cc(Br)ccc1O)c1cnc(C2CC2)[nH]c1=O	ZINC000908170971	691629400	/nfs/dbraw/zinc/62/94/00/691629400.db2.gz	UWUJCVZCNWBQAN-UHFFFAOYSA-N	-1	0	364.199	2.458	20	10		FECDRM
CC1=C(C)C(=O)N(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000908210469	691638235	/nfs/dbraw/zinc/63/82/35/691638235.db2.gz	BMYXFDQLLQLQKV-UHFFFAOYSA-N	-1	0	371.220	2.411	20	10		FECDRM
COCCc1noc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1	ZINC000093587151	542935308	/nfs/dbraw/zinc/93/53/08/542935308.db2.gz	MYNAFYNLTYZRFJ-UHFFFAOYSA-N	-1	0	356.766	2.158	20	10		FECDRM
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3[O-])c2)CC1	ZINC000187130271	548251956	/nfs/dbraw/zinc/25/19/56/548251956.db2.gz	APFKUQXHTMRCHM-UHFFFAOYSA-N	-1	0	357.385	2.452	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2	ZINC000276908070	550609610	/nfs/dbraw/zinc/60/96/10/550609610.db2.gz	OQQVCBVEIFMSAO-UHFFFAOYSA-N	-1	0	351.380	2.363	20	10		FECDRM
Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(C)n1-c1ccccc1C	ZINC000363395373	555094436	/nfs/dbraw/zinc/09/44/36/555094436.db2.gz	JMSPFLPOGGZVIS-QGZVFWFLSA-N	-1	0	366.425	2.129	20	10		FECDRM
CNS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000378345281	558534957	/nfs/dbraw/zinc/53/49/57/558534957.db2.gz	IRASFOGETUAZEF-NSHDSACASA-N	-1	0	353.271	2.213	20	10		FECDRM
O=C([O-])CSCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000740487017	597093800	/nfs/dbraw/zinc/09/38/00/597093800.db2.gz	FINAHUYPUQFVMW-UHFFFAOYSA-N	-1	0	374.409	2.191	20	10		FECDRM
Cc1nnc2n1C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000807835798	674431396	/nfs/dbraw/zinc/43/13/96/674431396.db2.gz	KMMUZRIXZOSDMW-SECBINFHSA-N	-1	0	355.225	2.478	20	10		FECDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000736368026	599843962	/nfs/dbraw/zinc/84/39/62/599843962.db2.gz	BWFAUNMCRNAXFE-OAHLLOKOSA-N	-1	0	351.472	2.148	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]c(CC(=O)[O-])n3)c2C)cc1	ZINC000737917772	600533620	/nfs/dbraw/zinc/53/36/20/600533620.db2.gz	KSBQJYAHFGKOQL-UHFFFAOYSA-N	-1	0	369.381	2.100	20	10		FECDRM
Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(O)c1O	ZINC000832913532	601333812	/nfs/dbraw/zinc/33/38/12/601333812.db2.gz	IDNOFFLFZBSMDW-OAHLLOKOSA-N	-1	0	354.362	2.313	20	10		FECDRM
COc1ccc(O)c(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1	ZINC000832425327	601757521	/nfs/dbraw/zinc/75/75/21/601757521.db2.gz	UUQXFSWSHVZRPY-UHFFFAOYSA-N	-1	0	359.378	2.411	20	10		FECDRM
Cn1cc([C@@]2(C)CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833043262	602139678	/nfs/dbraw/zinc/13/96/78/602139678.db2.gz	KDSPPFFZQNUHNJ-WLPBJKJWSA-N	-1	0	372.381	2.178	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1F	ZINC000739414476	602631574	/nfs/dbraw/zinc/63/15/74/602631574.db2.gz	MXPXXINXBDAIEM-CYBMUJFWSA-N	-1	0	352.410	2.223	20	10		FECDRM
C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)NC(=O)[O-]	ZINC000824563958	602772548	/nfs/dbraw/zinc/77/25/48/602772548.db2.gz	FMCLEQKLAZJMHX-RHSMWYFYSA-N	-1	0	363.458	2.306	20	10		FECDRM
C[C@@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC(=O)[O-]	ZINC000824622780	602817230	/nfs/dbraw/zinc/81/72/30/602817230.db2.gz	PKRZFRNMCLJZDM-NSHDSACASA-N	-1	0	371.384	2.419	20	10		FECDRM
O=C([O-])N1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000740446166	602839289	/nfs/dbraw/zinc/83/92/89/602839289.db2.gz	CXDABOYOBLARFU-QGZVFWFLSA-N	-1	0	358.442	2.395	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739438666	602866729	/nfs/dbraw/zinc/86/67/29/602866729.db2.gz	CFHRWNLLNAPHEC-KRWDZBQOSA-N	-1	0	363.458	2.260	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1NC(=O)[O-]	ZINC000739144072	602936374	/nfs/dbraw/zinc/93/63/74/602936374.db2.gz	WPZJPCYZBBYVLE-BXUZGUMPSA-N	-1	0	352.410	2.079	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3O2)NC(=O)[O-])cc1	ZINC000828056983	603032406	/nfs/dbraw/zinc/03/24/06/603032406.db2.gz	YDBQJBPWAANHDN-AEFFLSMTSA-N	-1	0	369.421	2.181	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])cc1F	ZINC000828143315	603567848	/nfs/dbraw/zinc/56/78/48/603567848.db2.gz	YYHVIENXBZPBAQ-UHFFFAOYSA-N	-1	0	354.426	2.327	20	10		FECDRM
CN(Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000828387099	603700999	/nfs/dbraw/zinc/70/09/99/603700999.db2.gz	GDRJVPYSTABOQY-UHFFFAOYSA-N	-1	0	371.393	2.099	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1	ZINC000829483798	603885871	/nfs/dbraw/zinc/88/58/71/603885871.db2.gz	LCBDHYSFQMRWJW-WODVXLOZSA-N	-1	0	363.414	2.434	20	10		FECDRM
C[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCN(C(=O)[O-])C1	ZINC000825673462	603887483	/nfs/dbraw/zinc/88/74/83/603887483.db2.gz	QOEPJXBBZPXLLO-GOSISDBHSA-N	-1	0	363.483	2.246	20	10		FECDRM
O=C([O-])NCc1nnc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)[nH]1	ZINC000832730907	603913859	/nfs/dbraw/zinc/91/38/59/603913859.db2.gz	WYJUIQWLJIWGHT-UHFFFAOYSA-N	-1	0	359.367	2.259	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]cnc3c2)NC(=O)[O-])cc1	ZINC000828063958	603931775	/nfs/dbraw/zinc/93/17/75/603931775.db2.gz	KKKDEGXEBMOAOB-QGZVFWFLSA-N	-1	0	367.409	2.368	20	10		FECDRM
CN(C[C@@H]1CCCN1C(=O)NCCCSc1nccs1)C(=O)[O-]	ZINC000828198405	604337106	/nfs/dbraw/zinc/33/71/06/604337106.db2.gz	HUGSHWQRRHCHIH-NSHDSACASA-N	-1	0	358.489	2.409	20	10		FECDRM
O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000834093292	605979661	/nfs/dbraw/zinc/97/96/61/605979661.db2.gz	OGPBJDIMDQMABV-MSOLQXFVSA-N	-1	0	370.453	2.489	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1	ZINC000184885547	672510133	/nfs/dbraw/zinc/51/01/33/672510133.db2.gz	VLFKLLUICVHSTL-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1	ZINC000184884343	672510160	/nfs/dbraw/zinc/51/01/60/672510160.db2.gz	DIYWLZQKFPPUNA-UHFFFAOYSA-N	-1	0	366.414	2.411	20	10		FECDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000743259687	673753925	/nfs/dbraw/zinc/75/39/25/673753925.db2.gz	KNDBKPVJHZRZJX-UHFFFAOYSA-N	-1	0	353.312	2.318	20	10		FECDRM
COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765072470	680829838	/nfs/dbraw/zinc/82/98/38/680829838.db2.gz	BUXLZMBIIVDLNN-UHFFFAOYSA-N	-1	0	367.358	2.188	20	10		FECDRM
COCCCOc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765062836	680829566	/nfs/dbraw/zinc/82/95/66/680829566.db2.gz	RWVADXWOKNQXIF-UHFFFAOYSA-N	-1	0	363.395	2.439	20	10		FECDRM
CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765090081	680830690	/nfs/dbraw/zinc/83/06/90/680830690.db2.gz	OLHYTDWSEBBLGV-UHFFFAOYSA-N	-1	0	361.379	2.129	20	10		FECDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1	ZINC000751269912	680164844	/nfs/dbraw/zinc/16/48/44/680164844.db2.gz	LDQMKPBWFBHVJZ-UHFFFAOYSA-N	-1	0	362.379	2.137	20	10		FECDRM
CC(C)n1cnc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1	ZINC000753924578	680324863	/nfs/dbraw/zinc/32/48/63/680324863.db2.gz	VKZKUGAUUWFDKF-UHFFFAOYSA-N	-1	0	352.445	2.122	20	10		FECDRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c([N+](=O)[O-])c1	ZINC000758172049	680559573	/nfs/dbraw/zinc/55/95/73/680559573.db2.gz	ZGBPIDNHNXELLU-UHFFFAOYSA-N	-1	0	357.275	2.149	20	10		FECDRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(F)c1	ZINC000766051084	680864440	/nfs/dbraw/zinc/86/44/40/680864440.db2.gz	SOSQPBBMPFCFQV-UHFFFAOYSA-N	-1	0	366.370	2.493	20	10		FECDRM
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000766048102	680864448	/nfs/dbraw/zinc/86/44/48/680864448.db2.gz	XPOJMZASWCCQHI-UHFFFAOYSA-N	-1	0	366.351	2.318	20	10		FECDRM
CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000769534019	680986207	/nfs/dbraw/zinc/98/62/07/680986207.db2.gz	QLKSKLUJGCSUQR-LLVKDONJSA-N	-1	0	353.271	2.213	20	10		FECDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286041	681291782	/nfs/dbraw/zinc/29/17/82/681291782.db2.gz	LAVOAOJCDIJNTF-UHFFFAOYSA-N	-1	0	353.312	2.318	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1	ZINC000775291144	681293459	/nfs/dbraw/zinc/29/34/59/681293459.db2.gz	BFZBROGQPUVRFK-UHFFFAOYSA-N	-1	0	350.396	2.300	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000847463964	681382551	/nfs/dbraw/zinc/38/25/51/681382551.db2.gz	FLTHOGHKQOPVHQ-LLVKDONJSA-N	-1	0	374.224	2.481	20	10		FECDRM
Cn1nnc2c1CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C2	ZINC000848669636	681596578	/nfs/dbraw/zinc/59/65/78/681596578.db2.gz	HGLQBHKCYYLWEF-JTQLQIEISA-N	-1	0	370.240	2.184	20	10		FECDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000849364054	681695778	/nfs/dbraw/zinc/69/57/78/681695778.db2.gz	CIMCSULYIZVNKD-HNNXBMFYSA-N	-1	0	352.406	2.025	20	10		FECDRM
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)[O-]	ZINC000780598160	681847883	/nfs/dbraw/zinc/84/78/83/681847883.db2.gz	HUBQKMQDTQCBTF-WDEREUQCSA-N	-1	0	357.357	2.029	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000790417086	682675056	/nfs/dbraw/zinc/67/50/56/682675056.db2.gz	GWVZVBMCIOJUNB-UHFFFAOYSA-N	-1	0	351.380	2.462	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1F	ZINC000797819941	683276307	/nfs/dbraw/zinc/27/63/07/683276307.db2.gz	XWACVTDGKRZHIV-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1O	ZINC000797820342	683276445	/nfs/dbraw/zinc/27/64/45/683276445.db2.gz	SJDWSNYQKNNKRJ-UHFFFAOYSA-N	-1	0	354.340	2.124	20	10		FECDRM
COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000862516662	683596873	/nfs/dbraw/zinc/59/68/73/683596873.db2.gz	WPENEWSLPCWHBQ-MFKMUULPSA-N	-1	0	372.805	2.402	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1	ZINC000872366248	684940954	/nfs/dbraw/zinc/94/09/54/684940954.db2.gz	ATRRKYUIECVWQZ-INIZCTEOSA-N	-1	0	359.444	2.117	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1	ZINC000872990249	685044499	/nfs/dbraw/zinc/04/44/99/685044499.db2.gz	WTCSUCIJRYXNEE-JKSUJKDBSA-N	-1	0	360.435	2.320	20	10		FECDRM
C[C@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1=O	ZINC000911360563	685202956	/nfs/dbraw/zinc/20/29/56/685202956.db2.gz	UWMFGZZQMHAWAQ-WDEREUQCSA-N	-1	0	353.802	2.464	20	10		FECDRM
CNS(=O)(=O)c1cccc2c1CCN(Cc1ccc(F)c(F)c1[O-])C2	ZINC000877507906	686394013	/nfs/dbraw/zinc/39/40/13/686394013.db2.gz	SFMBHYOPTFUXFE-UHFFFAOYSA-N	-1	0	368.405	2.137	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCOC[C@H]1c1ncon1	ZINC000894428695	689530365	/nfs/dbraw/zinc/53/03/65/689530365.db2.gz	DBNJSPATKUXWDB-NSHDSACASA-N	-1	0	358.167	2.250	20	10		FECDRM
Cn1nnnc1C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000895470598	689722274	/nfs/dbraw/zinc/72/22/74/689722274.db2.gz	LZDCGVIHYHACDA-UHFFFAOYSA-N	-1	0	370.226	2.197	20	10		FECDRM
CC1(C)CCC[C@H](CS(=O)(=O)[N-]N=c2[nH]c3ccncc3s2)O1	ZINC000901691749	690679440	/nfs/dbraw/zinc/67/94/40/690679440.db2.gz	CTEQXLBXEYCNBU-SNVBAGLBSA-N	-1	0	356.473	2.285	20	10		FECDRM
CCc1nc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cn1CC1CC1	ZINC000901702467	690681472	/nfs/dbraw/zinc/68/14/72/690681472.db2.gz	CFZZNCXDAYTVHM-UHFFFAOYSA-N	-1	0	351.428	2.371	20	10		FECDRM
Cc1nn(C)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135841	674321943	/nfs/dbraw/zinc/32/19/43/674321943.db2.gz	YQJQOJBZXNRBRU-UHFFFAOYSA-N	-1	0	350.227	2.219	20	10		FECDRM
COC(=O)c1cn(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)nn1	ZINC000184756364	547876082	/nfs/dbraw/zinc/87/60/82/547876082.db2.gz	CXJUQQLCXDXBQM-UHFFFAOYSA-N	-1	0	350.806	2.261	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1n[n-]c(=S)s1	ZINC000267207021	550028924	/nfs/dbraw/zinc/02/89/24/550028924.db2.gz	YMMXLOOTRUHXLR-UHFFFAOYSA-N	-1	0	368.509	2.411	20	10		FECDRM
O=C([O-])Cn1c(=O)c2ccccc2nc1/C=C\c1cnn(CC(F)F)c1	ZINC000644850043	568346421	/nfs/dbraw/zinc/34/64/21/568346421.db2.gz	OZIALYXOEIKTBQ-WAYWQWQTSA-N	-1	0	360.320	2.113	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000818113947	596991499	/nfs/dbraw/zinc/99/14/99/596991499.db2.gz	UFSDYPOWSMBMRZ-BETUJISGSA-N	-1	0	367.421	2.055	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)CSCC(=O)[O-]	ZINC000818202591	597238313	/nfs/dbraw/zinc/23/83/13/597238313.db2.gz	FNHNBJDBVAKPCY-UHFFFAOYSA-N	-1	0	362.245	2.321	20	10		FECDRM
Cn1nnc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3[O-])cnc21	ZINC000807837071	674431187	/nfs/dbraw/zinc/43/11/87/674431187.db2.gz	ZWZANMFOSFETJS-UHFFFAOYSA-N	-1	0	352.181	2.306	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1COCCN1CC(F)F	ZINC000807836645	674431202	/nfs/dbraw/zinc/43/12/02/674431202.db2.gz	IOBYCAWFYJXYGZ-LLVKDONJSA-N	-1	0	369.195	2.281	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1	ZINC000739622875	599780196	/nfs/dbraw/zinc/78/01/96/599780196.db2.gz	CTXLSRUWXROWQE-GQCTYLIASA-N	-1	0	359.382	2.284	20	10		FECDRM
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(C)CC(=O)[O-])c2C)cc1	ZINC000737678309	600069476	/nfs/dbraw/zinc/06/94/76/600069476.db2.gz	OQIKYFYLOZADJJ-UHFFFAOYSA-N	-1	0	358.394	2.080	20	10		FECDRM
CN(C)c1ccc(CN(Cn2cc(C(=O)[O-])nn2)CC(F)(F)F)cc1	ZINC000737377011	600078317	/nfs/dbraw/zinc/07/83/17/600078317.db2.gz	IGLKRNRXWTWMCI-UHFFFAOYSA-N	-1	0	357.336	2.064	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000832889373	600751224	/nfs/dbraw/zinc/75/12/24/600751224.db2.gz	RFSZLZFYVWKHSZ-UHFFFAOYSA-N	-1	0	354.453	2.299	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000830860828	600877598	/nfs/dbraw/zinc/87/75/98/600877598.db2.gz	ZNTSBZKQZGSUMB-UHFFFAOYSA-N	-1	0	370.405	2.352	20	10		FECDRM
CC(C)OCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000827031043	600985856	/nfs/dbraw/zinc/98/58/56/600985856.db2.gz	QUNTUKICDNKBLW-GQCTYLIASA-N	-1	0	363.414	2.240	20	10		FECDRM
CN(C)c1ccc(CN(C(=O)Nc2ccn(CC(=O)[O-])n2)C2CC2)cc1	ZINC000830635432	601063497	/nfs/dbraw/zinc/06/34/97/601063497.db2.gz	MWACEKDRMJXIFT-UHFFFAOYSA-N	-1	0	357.414	2.230	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1	ZINC000830639616	601209344	/nfs/dbraw/zinc/20/93/44/601209344.db2.gz	KHSYVZRNPINPNZ-GHXNOFRVSA-N	-1	0	360.435	2.329	20	10		FECDRM
O=C([O-])N1CCC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000738640996	602435534	/nfs/dbraw/zinc/43/55/34/602435534.db2.gz	LGAJXEWGFRATHC-JKSUJKDBSA-N	-1	0	362.426	2.290	20	10		FECDRM
O=C([O-])NC1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000740556602	602839224	/nfs/dbraw/zinc/83/92/24/602839224.db2.gz	PZENPIIHNONDQM-UHFFFAOYSA-N	-1	0	358.442	2.441	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CCC[C@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647568	603205625	/nfs/dbraw/zinc/20/56/25/603205625.db2.gz	QHSGVTUTHZWOMO-WOLRVDTOSA-N	-1	0	363.370	2.360	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)CNC(=O)[O-]	ZINC000830073434	603573166	/nfs/dbraw/zinc/57/31/66/603573166.db2.gz	RCRLEMWGIYWCGI-UHFFFAOYSA-N	-1	0	350.463	2.496	20	10		FECDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000833419151	604871155	/nfs/dbraw/zinc/87/11/55/604871155.db2.gz	GHMCXFJZTWIVKS-JTQLQIEISA-N	-1	0	363.370	2.253	20	10		FECDRM
COc1cccc(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)c1O	ZINC000832554926	604975684	/nfs/dbraw/zinc/97/56/84/604975684.db2.gz	ZYXFNCFPBAQIQH-UHFFFAOYSA-N	-1	0	351.384	2.196	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1	ZINC000833733180	605033622	/nfs/dbraw/zinc/03/36/22/605033622.db2.gz	BMRPFAMQPCKDCP-QMMMGPOBSA-N	-1	0	355.368	2.040	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000833733201	605036394	/nfs/dbraw/zinc/03/63/94/605036394.db2.gz	CFXXUCIKCQENHT-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CC[C@H](NC(=O)[O-])C[C@H]2C)c([N+](=O)[O-])c1	ZINC000828646269	605492661	/nfs/dbraw/zinc/49/26/61/605492661.db2.gz	HDZGQNRZNMVOTR-YJLKIPLNSA-N	-1	0	363.370	2.406	20	10		FECDRM
COc1ccc(O)c(CNC(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])c1	ZINC000829483221	605879035	/nfs/dbraw/zinc/87/90/35/605879035.db2.gz	FNIVOSPNAZXFFA-QGZVFWFLSA-N	-1	0	356.378	2.294	20	10		FECDRM
CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-]	ZINC000816487048	675058981	/nfs/dbraw/zinc/05/89/81/675058981.db2.gz	BSKQOYCQDLUTSG-NSHDSACASA-N	-1	0	350.843	2.088	20	10		FECDRM
COc1ccc2c(c1)CCCN2CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000727116602	673156372	/nfs/dbraw/zinc/15/63/72/673156372.db2.gz	CHGCBVPHDFHDIQ-UHFFFAOYSA-N	-1	0	357.435	2.470	20	10		FECDRM
COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000827489854	675759893	/nfs/dbraw/zinc/75/98/93/675759893.db2.gz	WHTFSGGHLGENAA-OAHLLOKOSA-N	-1	0	358.778	2.108	20	10		FECDRM
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765033517	680828026	/nfs/dbraw/zinc/82/80/26/680828026.db2.gz	JFPYAPTVPKUJMO-UHFFFAOYSA-N	-1	0	358.379	2.150	20	10		FECDRM
COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1	ZINC000747617993	679892637	/nfs/dbraw/zinc/89/26/37/679892637.db2.gz	KMNJSNFFTZTYJG-UHFFFAOYSA-N	-1	0	351.380	2.297	20	10		FECDRM
O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1cc(F)cc(F)c1[O-]	ZINC000753019965	680271191	/nfs/dbraw/zinc/27/11/91/680271191.db2.gz	ZUDCCJIXRVNFNJ-UHFFFAOYSA-N	-1	0	352.322	2.256	20	10		FECDRM
C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-]	ZINC000756776435	680497305	/nfs/dbraw/zinc/49/73/05/680497305.db2.gz	PGLYEMKTAWRQEY-ISVAXAHUSA-N	-1	0	358.211	2.412	20	10		FECDRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000766047984	680864476	/nfs/dbraw/zinc/86/44/76/680864476.db2.gz	OUXSQHVZGJHPRA-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000776283763	681379517	/nfs/dbraw/zinc/37/95/17/681379517.db2.gz	WAPTWDGEERDAOD-UHFFFAOYSA-N	-1	0	365.342	2.339	20	10		FECDRM
CC(C)[C@@H](CNC(=O)NCc1cccc(Br)c1O)C(=O)[O-]	ZINC000848588841	681585020	/nfs/dbraw/zinc/58/50/20/681585020.db2.gz	AOZJWQIBMXBBOU-SNVBAGLBSA-N	-1	0	359.220	2.311	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(OC)c1	ZINC000785486589	682302224	/nfs/dbraw/zinc/30/22/24/682302224.db2.gz	KBGGAPPMEISWCI-UHFFFAOYSA-N	-1	0	351.380	2.297	20	10		FECDRM
CCOC(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1	ZINC000789580781	682619519	/nfs/dbraw/zinc/61/95/19/682619519.db2.gz	LABCLDKJPBFCED-AWEZNQCLSA-N	-1	0	372.805	2.402	20	10		FECDRM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1c([O-])ccc(Cl)c1F	ZINC000792174362	682794108	/nfs/dbraw/zinc/79/41/08/682794108.db2.gz	UDCPGLKQZBPKDP-JOYOIKCWSA-N	-1	0	359.781	2.111	20	10		FECDRM
O=S(=O)([N-]c1cccc2c1OCC[C@@H]2O)c1cccc2nsnc21	ZINC000795347796	683042865	/nfs/dbraw/zinc/04/28/65/683042865.db2.gz	DBLKOGLUXOIDFU-LBPRGKRZSA-N	-1	0	363.420	2.308	20	10		FECDRM
COC(=O)c1cc(-c2csc([N-]S(=O)(=O)c3ccoc3)n2)c[nH]1	ZINC000795550673	683066034	/nfs/dbraw/zinc/06/60/34/683066034.db2.gz	XXJUWIGPPFJEQE-UHFFFAOYSA-N	-1	0	353.381	2.319	20	10		FECDRM
COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1	ZINC000867124995	684214939	/nfs/dbraw/zinc/21/49/39/684214939.db2.gz	GKIAQXMEALPQFU-LLVKDONJSA-N	-1	0	352.412	2.172	20	10		FECDRM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccccc1O	ZINC000867834365	684404962	/nfs/dbraw/zinc/40/49/62/684404962.db2.gz	HAAAHWCTHJYTGS-BXKDBHETSA-N	-1	0	369.361	2.257	20	10		FECDRM
C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nnn[n-]3)cc2Cl)C1	ZINC000868065358	684446509	/nfs/dbraw/zinc/44/65/09/684446509.db2.gz	NBQUQBKFZCVLFP-GFCCVEGCSA-N	-1	0	362.865	2.338	20	10		FECDRM
C[C@H]1CO[C@@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000894095072	689465784	/nfs/dbraw/zinc/46/57/84/689465784.db2.gz	PKXNXJMTCLPZIO-GZMMTYOYSA-N	-1	0	350.640	2.390	20	10		FECDRM
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894537068	689549459	/nfs/dbraw/zinc/54/94/59/689549459.db2.gz	HETIKMXAJJKNLW-QWRKXWFKSA-N	-1	0	357.223	2.380	20	10		FECDRM
Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(F)c2[O-])cn1	ZINC000895378220	689706413	/nfs/dbraw/zinc/70/64/13/689706413.db2.gz	IAGYQARWDYZRDR-FATZIPQQSA-N	-1	0	357.838	2.224	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)oc1Cl	ZINC000906812777	691320371	/nfs/dbraw/zinc/32/03/71/691320371.db2.gz	UYWGBPBUXSXERW-UHFFFAOYSA-N	-1	0	372.830	2.264	20	10		FECDRM
C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000180631747	547146109	/nfs/dbraw/zinc/14/61/09/547146109.db2.gz	NOQNISBSNNISGK-AWEZNQCLSA-N	-1	0	351.878	2.174	20	10		FECDRM
Cc1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c(C)n1-c1ccccc1C	ZINC000262763882	549847184	/nfs/dbraw/zinc/84/71/84/549847184.db2.gz	LGLCCIBYKUMJFK-UHFFFAOYSA-N	-1	0	356.422	2.454	20	10		FECDRM
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)S1(=O)=O	ZINC000289692461	552362861	/nfs/dbraw/zinc/36/28/61/552362861.db2.gz	FOQYUYGQDWVTQX-BXKDBHETSA-N	-1	0	362.835	2.351	20	10		FECDRM
COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C(=O)OC)C1	ZINC000293662595	552845060	/nfs/dbraw/zinc/84/50/60/552845060.db2.gz	PRHINPVUCFUPQZ-NOZJJQNGSA-N	-1	0	359.781	2.111	20	10		FECDRM
CCc1nc(CN2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)no1	ZINC000295406977	553001309	/nfs/dbraw/zinc/00/13/09/553001309.db2.gz	RGQFWDNAFAWGHL-UHFFFAOYSA-N	-1	0	354.813	2.448	20	10		FECDRM
Cn1nnc2c1C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000365612086	555622264	/nfs/dbraw/zinc/62/22/64/555622264.db2.gz	XCFMZSFULSGQNR-MRVPVSSYSA-N	-1	0	355.225	2.249	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CN(C2CC2)CCO1	ZINC000366459311	555850429	/nfs/dbraw/zinc/85/04/29/555850429.db2.gz	XCRBZHFSHNNUGF-ZDUSSCGKSA-N	-1	0	374.268	2.361	20	10		FECDRM
COC(=O)C(C)(C)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000808313256	674451857	/nfs/dbraw/zinc/45/18/57/674451857.db2.gz	QBDITNGWGOYKTA-UHFFFAOYSA-N	-1	0	370.254	2.318	20	10		FECDRM
CCc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1S(N)(=O)=O	ZINC000808442466	674459350	/nfs/dbraw/zinc/45/93/50/674459350.db2.gz	FBQNQYNEMGQYQR-UHFFFAOYSA-N	-1	0	351.384	2.122	20	10		FECDRM
CN(CC(=O)NCc1ccccc1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737393175	600365257	/nfs/dbraw/zinc/36/52/57/600365257.db2.gz	IRHYTBJBKXAYME-NTMALXAHSA-N	-1	0	369.377	2.445	20	10		FECDRM
NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)CC1	ZINC000739159091	600550686	/nfs/dbraw/zinc/55/06/86/600550686.db2.gz	GPXGCKSEIDZMGF-UHFFFAOYSA-N	-1	0	367.405	2.339	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC000832425548	601164366	/nfs/dbraw/zinc/16/43/66/601164366.db2.gz	ZWLSEYWWXQJFNA-LLVKDONJSA-N	-1	0	372.377	2.223	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1cccc(F)c1	ZINC000832859943	601596345	/nfs/dbraw/zinc/59/63/45/601596345.db2.gz	WLIZJLKCMHHKEZ-QGZVFWFLSA-N	-1	0	360.385	2.201	20	10		FECDRM
Cc1cc(CCNS(=O)(=O)C[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1	ZINC000832881392	601773225	/nfs/dbraw/zinc/77/32/25/601773225.db2.gz	BLXIHWWVACDFAZ-ZDUSSCGKSA-N	-1	0	364.467	2.277	20	10		FECDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000828493493	602107213	/nfs/dbraw/zinc/10/72/13/602107213.db2.gz	FXZADEFPPFZWJO-UPJWGTAASA-N	-1	0	352.406	2.166	20	10		FECDRM
CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739225078	602110197	/nfs/dbraw/zinc/11/01/97/602110197.db2.gz	LXJCYLXXXLWUND-PBHICJAKSA-N	-1	0	363.458	2.164	20	10		FECDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739225081	602110416	/nfs/dbraw/zinc/11/04/16/602110416.db2.gz	LXJCYLXXXLWUND-WMLDXEAASA-N	-1	0	363.458	2.164	20	10		FECDRM
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738979583	602148819	/nfs/dbraw/zinc/14/88/19/602148819.db2.gz	NINDVPVLFVHMRI-OCCSQVGLSA-N	-1	0	366.437	2.469	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739758839	602434012	/nfs/dbraw/zinc/43/40/12/602434012.db2.gz	HKAQLYZRNNHEHO-DIECRNLCSA-N	-1	0	363.370	2.217	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000739710368	602494371	/nfs/dbraw/zinc/49/43/71/602494371.db2.gz	ROFRBSMNBWUCAA-KRWDZBQOSA-N	-1	0	361.442	2.014	20	10		FECDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000738933445	602617333	/nfs/dbraw/zinc/61/73/33/602617333.db2.gz	XZTDUJWKTJYZKN-CYBMUJFWSA-N	-1	0	366.487	2.037	20	10		FECDRM
CCN(CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000739427699	602635668	/nfs/dbraw/zinc/63/56/68/602635668.db2.gz	VKRATRITEYLGQM-OAHLLOKOSA-N	-1	0	365.430	2.083	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2Cc1nnnn1-c1ccccc1	ZINC000740673694	602649915	/nfs/dbraw/zinc/64/99/15/602649915.db2.gz	FCZGBFREMPDHOY-UHFFFAOYSA-N	-1	0	364.409	2.383	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[O-])CC2)cc1F	ZINC000737088454	602689605	/nfs/dbraw/zinc/68/96/05/602689605.db2.gz	MNASLGYSGGYIAB-UHFFFAOYSA-N	-1	0	352.410	2.177	20	10		FECDRM
O=C([O-])N1CC[C@@H](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740425463	602833850	/nfs/dbraw/zinc/83/38/50/602833850.db2.gz	FXDMTSVYSZAEDH-MRXNPFEDSA-N	-1	0	358.442	2.252	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000827517734	603070315	/nfs/dbraw/zinc/07/03/15/603070315.db2.gz	BKDVTHHXRVRZIK-FZMZJTMJSA-N	-1	0	371.384	2.419	20	10		FECDRM
CN(CCCNC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000739674770	603281801	/nfs/dbraw/zinc/28/18/01/603281801.db2.gz	AEFQLHMQTPARHI-UHFFFAOYSA-N	-1	0	366.487	2.039	20	10		FECDRM
COc1ccc(O)c(CNC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1	ZINC000829484640	604135812	/nfs/dbraw/zinc/13/58/12/604135812.db2.gz	VWQDABVMTXKHBM-HNNXBMFYSA-N	-1	0	359.382	2.209	20	10		FECDRM
O=C([O-])NC1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1	ZINC000832194427	604222312	/nfs/dbraw/zinc/22/23/12/604222312.db2.gz	TWWFXEILOHGXEE-OAHLLOKOSA-N	-1	0	362.426	2.480	20	10		FECDRM
O=C([O-])c1csc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1	ZINC000833144397	604545356	/nfs/dbraw/zinc/54/53/56/604545356.db2.gz	YSAITCZBWCWFAL-UHFFFAOYSA-N	-1	0	374.418	2.286	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1	ZINC000833734007	605034035	/nfs/dbraw/zinc/03/40/35/605034035.db2.gz	ZAUYYYMISNWQFZ-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
O=C([O-])N1CCO[C@@H](CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	ZINC000832060957	605348702	/nfs/dbraw/zinc/34/87/02/605348702.db2.gz	SGSJYLLRLPILJS-INIZCTEOSA-N	-1	0	374.393	2.283	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000830072696	605399362	/nfs/dbraw/zinc/39/93/62/605399362.db2.gz	IOHPLALADQEUAH-KRWDZBQOSA-N	-1	0	360.458	2.487	20	10		FECDRM
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000834158509	605698377	/nfs/dbraw/zinc/69/83/77/605698377.db2.gz	NXRDBSNKIAHVEX-QBTFJRQLSA-N	-1	0	360.410	2.442	20	10		FECDRM
O=C([O-])N[C@@H]1CCc2ncc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2C1	ZINC000834193822	605700112	/nfs/dbraw/zinc/70/01/12/605700112.db2.gz	VHEJYEKVOMOPRC-IUAZIXFQSA-N	-1	0	369.377	2.270	20	10		FECDRM
C[C@H]1CN(c2ccc(CNC(=O)CCCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000833634791	605762634	/nfs/dbraw/zinc/76/26/34/605762634.db2.gz	KMEYDFUFZIAZMW-STQMWFEESA-N	-1	0	352.406	2.310	20	10		FECDRM
COC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCN(C(=O)[O-])CC1	ZINC000828855929	605879011	/nfs/dbraw/zinc/87/90/11/605879011.db2.gz	ILZRBHFQEBHNTL-UHFFFAOYSA-N	-1	0	362.426	2.046	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1	ZINC000833695757	605894295	/nfs/dbraw/zinc/89/42/95/605894295.db2.gz	VPLAFHCAXBNHHU-UHFFFAOYSA-N	-1	0	373.384	2.187	20	10		FECDRM
O=C([O-])NC[C@@H]1CCCCN1C(=O)NCCCSc1nccs1	ZINC000834214677	605971159	/nfs/dbraw/zinc/97/11/59/605971159.db2.gz	HHDCXWVFKNRBHP-NSHDSACASA-N	-1	0	358.489	2.457	20	10		FECDRM
O=C([O-])CCCN1C(=O)/C(=C/c2cc3c(cc2O)OCO3)SC1=S	ZINC000063454094	670407032	/nfs/dbraw/zinc/40/70/32/670407032.db2.gz	SJXWWDOADFSDIN-XGICHPGQSA-N	-1	0	367.404	2.187	20	10		FECDRM
Cc1cc(F)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000184885654	672510021	/nfs/dbraw/zinc/51/00/21/672510021.db2.gz	OIOKYVYOWJPDEE-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	ZINC000819397392	675288171	/nfs/dbraw/zinc/28/81/71/675288171.db2.gz	CAUDQOSKZWKCOO-UOXLDJKESA-N	-1	0	363.435	2.394	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(=O)n(C)[n-]1	ZINC000830150672	677027651	/nfs/dbraw/zinc/02/76/51/677027651.db2.gz	QOYQYWXDKRFDFV-UHFFFAOYSA-N	-1	0	354.204	2.256	20	10		FECDRM
CCn1nc(C)c(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840731741	680839764	/nfs/dbraw/zinc/83/97/64/680839764.db2.gz	OCARHRSCIDMUOO-FMIVXFBMSA-N	-1	0	368.484	2.453	20	10		FECDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1	ZINC000748639736	679982784	/nfs/dbraw/zinc/98/27/84/679982784.db2.gz	LVPGFIXTTPFNGK-UHFFFAOYSA-N	-1	0	366.472	2.197	20	10		FECDRM
COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753020296	680271122	/nfs/dbraw/zinc/27/11/22/680271122.db2.gz	QCYRKBBWBKOFSX-UHFFFAOYSA-N	-1	0	357.334	2.282	20	10		FECDRM
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cncc(Cl)c1	ZINC000757926551	680543247	/nfs/dbraw/zinc/54/32/47/680543247.db2.gz	TUAQDABYLKSSRM-UHFFFAOYSA-N	-1	0	353.831	2.372	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cn1	ZINC000769673508	680991071	/nfs/dbraw/zinc/99/10/71/680991071.db2.gz	ZYVCVNOYSVIGGS-UHFFFAOYSA-N	-1	0	361.423	2.269	20	10		FECDRM
CC(C)(C)OC(=O)Cn1cc(NC(=O)c2c(F)ccc(O)c2[O-])cn1	ZINC000844145647	681041823	/nfs/dbraw/zinc/04/18/23/681041823.db2.gz	BQNXMEYLSWLXEW-UHFFFAOYSA-N	-1	0	351.334	2.027	20	10		FECDRM
CCS(=O)(=O)C1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844213452	681044818	/nfs/dbraw/zinc/04/48/18/681044818.db2.gz	YNEJGPWJLQVLBN-GQCTYLIASA-N	-1	0	368.411	2.096	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cc(OC)cc1F	ZINC000775287485	681292304	/nfs/dbraw/zinc/29/23/04/681292304.db2.gz	NEQISLAQEINHNZ-UHFFFAOYSA-N	-1	0	373.333	2.266	20	10		FECDRM
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775289543	681293124	/nfs/dbraw/zinc/29/31/24/681293124.db2.gz	VTNDDKKBWDHYJU-UHFFFAOYSA-N	-1	0	366.351	2.278	20	10		FECDRM
C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775734132	681329451	/nfs/dbraw/zinc/32/94/51/681329451.db2.gz	LAGBYGRCGMLJNK-CYBMUJFWSA-N	-1	0	369.868	2.313	20	10		FECDRM
CC(C)[C@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)[O-]	ZINC000848590315	681584902	/nfs/dbraw/zinc/58/49/02/681584902.db2.gz	LMHGWEGBPDLCDJ-NSHDSACASA-N	-1	0	359.220	2.311	20	10		FECDRM
COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1	ZINC000848591484	681585490	/nfs/dbraw/zinc/58/54/90/681585490.db2.gz	NADKNLMWVBNOFW-MRXNPFEDSA-N	-1	0	351.447	2.130	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C)n1-c1ccccc1C	ZINC000779208082	681689142	/nfs/dbraw/zinc/68/91/42/681689142.db2.gz	FITOYTOUYFQTJO-OAHLLOKOSA-N	-1	0	362.451	2.251	20	10		FECDRM
C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C(=O)[O-]	ZINC000849366165	681695666	/nfs/dbraw/zinc/69/56/66/681695666.db2.gz	OACZDFQVMBSXQL-RISCZKNCSA-N	-1	0	359.451	2.499	20	10		FECDRM
Cc1cc(C)cc(-n2ncc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)n2)c1	ZINC000781101053	681902124	/nfs/dbraw/zinc/90/21/24/681902124.db2.gz	RVRMNFLJQLOXPU-MLPAPPSSSA-N	-1	0	374.447	2.170	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@]2(C)C[C@]2(F)Cl)cc1	ZINC000853010555	682363279	/nfs/dbraw/zinc/36/32/79/682363279.db2.gz	FRQAQCHWQLVZMH-IAGOWNOFSA-N	-1	0	372.824	2.407	20	10		FECDRM
COCC[S@@](=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1	ZINC000789976497	682642654	/nfs/dbraw/zinc/64/26/54/682642654.db2.gz	LAKCUTDMIQKFES-RUZDIDTESA-N	-1	0	367.398	2.384	20	10		FECDRM
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000790411693	682674744	/nfs/dbraw/zinc/67/47/44/682674744.db2.gz	MOPSLBKVRIZNHW-UHFFFAOYSA-N	-1	0	354.340	2.206	20	10		FECDRM
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000792702318	682828688	/nfs/dbraw/zinc/82/86/88/682828688.db2.gz	QMIFIJMGJCTAHD-UHFFFAOYSA-N	-1	0	369.420	2.378	20	10		FECDRM
O=C([O-])CCCN1C(=O)/C(=C\c2cc3c(cc2O)OCO3)SC1=S	ZINC000920397833	683338660	/nfs/dbraw/zinc/33/86/60/683338660.db2.gz	SJXWWDOADFSDIN-LFYBBSHMSA-N	-1	0	367.404	2.187	20	10		FECDRM
Cn1nncc1S(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCC3)cs1	ZINC000863433697	683726467	/nfs/dbraw/zinc/72/64/67/683726467.db2.gz	GIZKMCXMPLNAPO-UHFFFAOYSA-N	-1	0	361.452	2.228	20	10		FECDRM
C[C@]1(CO)CN(S(=O)(=O)c2cc(F)cc(F)c2[O-])c2ccccc2O1	ZINC000872393155	684943324	/nfs/dbraw/zinc/94/33/24/684943324.db2.gz	NAEZPPSYZYYIPM-MRXNPFEDSA-N	-1	0	371.361	2.009	20	10		FECDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])C2)cc1	ZINC000872874837	685027713	/nfs/dbraw/zinc/02/77/13/685027713.db2.gz	QBAFDBBCSVICPZ-MELADBBJSA-N	-1	0	366.483	2.233	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC(C)(C)c2nccs2)cc1	ZINC000872906299	685032034	/nfs/dbraw/zinc/03/20/34/685032034.db2.gz	KSQLOFSYKHBMIZ-UHFFFAOYSA-N	-1	0	363.439	2.094	20	10		FECDRM
C[C@@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1=O	ZINC000911360561	685202920	/nfs/dbraw/zinc/20/29/20/685202920.db2.gz	UWMFGZZQMHAWAQ-MNOVXSKESA-N	-1	0	353.802	2.464	20	10		FECDRM
CCCn1nccc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360231	685203166	/nfs/dbraw/zinc/20/31/66/685203166.db2.gz	PGHUPYVVFSASJS-UHFFFAOYSA-N	-1	0	351.790	2.379	20	10		FECDRM
CCOCc1nc(C)c(C(=O)N(CC(=O)[O-])Cc2ccccc2O)s1	ZINC000911489961	685216738	/nfs/dbraw/zinc/21/67/38/685216738.db2.gz	VZFVBJOANURWRB-UHFFFAOYSA-N	-1	0	364.423	2.421	20	10		FECDRM
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000877419151	686373845	/nfs/dbraw/zinc/37/38/45/686373845.db2.gz	NZGICETWFFUGKV-LBPRGKRZSA-N	-1	0	358.385	2.396	20	10		FECDRM
O=C1OCC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CCN12	ZINC000894094303	689465307	/nfs/dbraw/zinc/46/53/07/689465307.db2.gz	JTFDMDWWKRZGSM-NSHDSACASA-N	-1	0	359.195	2.320	20	10		FECDRM
C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000895323669	689695867	/nfs/dbraw/zinc/69/58/67/689695867.db2.gz	FVMOOVCBGQKJPL-MFKMUULPSA-N	-1	0	350.640	2.126	20	10		FECDRM
Cn1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)s2)cn1	ZINC000800791715	674076705	/nfs/dbraw/zinc/07/67/05/674076705.db2.gz	UMWOVMSIRATERD-NYYWCZLTSA-N	-1	0	365.461	2.434	20	10		FECDRM
O=C(NCc1nnnn1C1CC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805161734	674323677	/nfs/dbraw/zinc/32/36/77/674323677.db2.gz	WTBNMTKCNMQJGU-UHFFFAOYSA-N	-1	0	357.201	2.020	20	10		FECDRM
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CN(C)CCO1	ZINC000805221185	674326490	/nfs/dbraw/zinc/32/64/90/674326490.db2.gz	GLFSVPRBDPDRSB-TVQRCGJNSA-N	-1	0	362.257	2.217	20	10		FECDRM
COc1ccccc1CN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	ZINC000276504742	550578678	/nfs/dbraw/zinc/57/86/78/550578678.db2.gz	ABMOEXCCUAOIIK-UHFFFAOYSA-N	-1	0	360.385	2.204	20	10		FECDRM
COc1c([O-])c(C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)ccc1[N+](=O)[O-]	ZINC000365825354	555676137	/nfs/dbraw/zinc/67/61/37/555676137.db2.gz	NTFNOYQZGPIGCF-UHFFFAOYSA-N	-1	0	374.397	2.032	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C[C@@H]1OCCc2ccsc21	ZINC000372886416	557582589	/nfs/dbraw/zinc/58/25/89/557582589.db2.gz	XNRJWRVQHFSBBT-JQWIXIFHSA-N	-1	0	357.453	2.280	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000377088013	558263302	/nfs/dbraw/zinc/26/33/02/558263302.db2.gz	GBXOVHPXKXMOIJ-VIFPVBQESA-N	-1	0	369.208	2.091	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cn(C[C@@H]2CCOC2)nn1	ZINC000529392003	562372220	/nfs/dbraw/zinc/37/22/20/562372220.db2.gz	LZNMQVAPACSWBZ-VIFPVBQESA-N	-1	0	371.224	2.257	20	10		FECDRM
O=S(=O)(C1CC1)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000529638923	562379621	/nfs/dbraw/zinc/37/96/21/562379621.db2.gz	DYTHHWGREREKRV-UHFFFAOYSA-N	-1	0	365.282	2.309	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000820980313	598174594	/nfs/dbraw/zinc/17/45/94/598174594.db2.gz	OQPCVNQEULCLBH-UHFFFAOYSA-N	-1	0	355.394	2.014	20	10		FECDRM
NS(=O)(=O)c1cnc(NCc2cc(Cl)cc(Cl)c2[O-])s1	ZINC000808090279	674440712	/nfs/dbraw/zinc/44/07/12/674440712.db2.gz	XIIUFJPZEKZMLZ-UHFFFAOYSA-N	-1	0	354.240	2.415	20	10		FECDRM
CC(C)C(=O)N[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000736346001	599706026	/nfs/dbraw/zinc/70/60/26/599706026.db2.gz	XKFQHTVFRHMKLJ-QPBFKRLHSA-N	-1	0	361.398	2.434	20	10		FECDRM
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000736749520	600205262	/nfs/dbraw/zinc/20/52/62/600205262.db2.gz	ZNXIONLDQIVSDY-VXGBXAGGSA-N	-1	0	363.435	2.251	20	10		FECDRM
O=C([O-])Cc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1	ZINC000739882680	600323674	/nfs/dbraw/zinc/32/36/74/600323674.db2.gz	GCECAVBSXDZPBK-UHFFFAOYSA-N	-1	0	372.493	2.231	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(OCC(=O)[O-])c2)c1	ZINC000738042636	600647053	/nfs/dbraw/zinc/64/70/53/600647053.db2.gz	ZVUKJHQWFFQGOO-GFCCVEGCSA-N	-1	0	374.393	2.425	20	10		FECDRM
O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1	ZINC000738501603	600754106	/nfs/dbraw/zinc/75/41/06/600754106.db2.gz	XLFKXIPDXMQMNT-UHFFFAOYSA-N	-1	0	365.389	2.016	20	10		FECDRM
COCCOC[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831763756	600824774	/nfs/dbraw/zinc/82/47/74/600824774.db2.gz	VSHNFZVGANYJND-MFBWXBCUSA-N	-1	0	350.371	2.182	20	10		FECDRM
O=C([O-])c1ccsc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000833144375	600922955	/nfs/dbraw/zinc/92/29/55/600922955.db2.gz	XWAWLCSUWWOKFN-UHFFFAOYSA-N	-1	0	374.418	2.286	20	10		FECDRM
Cc1oc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1C(=O)[O-]	ZINC000833026407	601219157	/nfs/dbraw/zinc/21/91/57/601219157.db2.gz	AIJCKMBRJLJGBF-UHFFFAOYSA-N	-1	0	364.423	2.147	20	10		FECDRM
C/C(=C\COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000825780458	601406614	/nfs/dbraw/zinc/40/66/14/601406614.db2.gz	FNVXEHHAJIDPII-CSKARUKUSA-N	-1	0	365.341	2.232	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000832961396	601597452	/nfs/dbraw/zinc/59/74/52/601597452.db2.gz	YVWUUMLTMWFZNT-GOSISDBHSA-N	-1	0	356.422	2.371	20	10		FECDRM
C[C@H](CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(=O)[O-]	ZINC000828303599	601789727	/nfs/dbraw/zinc/78/97/27/601789727.db2.gz	UDWMBIZEVCHRTJ-CQSZACIVSA-N	-1	0	354.472	2.063	20	10		FECDRM
CN(C)c1ccc(CNC(=O)c2csc(CNC(=O)[O-])n2)cc1F	ZINC000739618893	602701107	/nfs/dbraw/zinc/70/11/07/602701107.db2.gz	PEUPDOUVFJVSJG-UHFFFAOYSA-N	-1	0	352.391	2.046	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000739924973	602722717	/nfs/dbraw/zinc/72/27/17/602722717.db2.gz	GBSQCCDHKMXHNZ-NWDGAFQWSA-N	-1	0	351.403	2.151	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cc1	ZINC000829423627	602818026	/nfs/dbraw/zinc/81/80/26/602818026.db2.gz	ISKQLIRWWSXPHW-MRXNPFEDSA-N	-1	0	361.442	2.313	20	10		FECDRM
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000739583744	602944332	/nfs/dbraw/zinc/94/43/32/602944332.db2.gz	KBNSCCZCJSFSCM-QGZVFWFLSA-N	-1	0	358.442	2.347	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccn2)NC(=O)[O-])cc1	ZINC000828064786	603023844	/nfs/dbraw/zinc/02/38/44/603023844.db2.gz	YKVZWCWDBDTSPT-QGZVFWFLSA-N	-1	0	356.426	2.205	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC2(Cl)Cl)NC(=O)[O-])cc1	ZINC000828056404	603027118	/nfs/dbraw/zinc/02/71/18/603027118.db2.gz	PVDYAHAFYFZXRL-NEPJUHHUSA-N	-1	0	360.241	2.371	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)NC(=O)[O-])cc1	ZINC000828063319	603028988	/nfs/dbraw/zinc/02/89/88/603028988.db2.gz	CCOPRDGASLZWMY-INIZCTEOSA-N	-1	0	372.381	2.400	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2OCO3)NC(=O)[O-])cc1	ZINC000828064382	603029699	/nfs/dbraw/zinc/02/96/99/603029699.db2.gz	QPOQXXHSPHCGNG-OAHLLOKOSA-N	-1	0	371.393	2.220	20	10		FECDRM
CC(C)c1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000824458086	603030479	/nfs/dbraw/zinc/03/04/79/603030479.db2.gz	BHAWZCQMJHLSEF-INIZCTEOSA-N	-1	0	359.430	2.338	20	10		FECDRM
COc1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1	ZINC000829286027	603032662	/nfs/dbraw/zinc/03/26/62/603032662.db2.gz	WQCODDIHEKQGMH-QGZVFWFLSA-N	-1	0	357.410	2.500	20	10		FECDRM
CC(C)(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)[O-]	ZINC000738728608	603108664	/nfs/dbraw/zinc/10/86/64/603108664.db2.gz	BUOLKSHJCBSYQE-CQSZACIVSA-N	-1	0	350.415	2.336	20	10		FECDRM
CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-]	ZINC000739394580	603381871	/nfs/dbraw/zinc/38/18/71/603381871.db2.gz	MQWIQIQMVKEUPD-STQMWFEESA-N	-1	0	367.421	2.055	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSCCS2)NC(=O)[O-])cc1	ZINC000828056932	603462427	/nfs/dbraw/zinc/46/24/27/603462427.db2.gz	WUNWQKXLDOCNRM-KGLIPLIRSA-N	-1	0	369.512	2.026	20	10		FECDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCCSc1nccs1	ZINC000826110464	603574547	/nfs/dbraw/zinc/57/45/47/603574547.db2.gz	RDWYKOUVBWMNPJ-UWVGGRQHSA-N	-1	0	359.473	2.245	20	10		FECDRM
COc1ccc(N2CCN(C(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)cc1F	ZINC000829423385	603937265	/nfs/dbraw/zinc/93/72/65/603937265.db2.gz	GARLURLEVUSPAL-AWEZNQCLSA-N	-1	0	365.405	2.015	20	10		FECDRM
O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCCCSc1nccs1	ZINC000832469997	604337633	/nfs/dbraw/zinc/33/76/33/604337633.db2.gz	ZYLQMWOJKPAUFP-WDEREUQCSA-N	-1	0	358.489	2.361	20	10		FECDRM
CC(C)[C@H](CCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)NC(=O)[O-]	ZINC000824105543	604833409	/nfs/dbraw/zinc/83/34/09/604833409.db2.gz	XPUIOUSPJJKJKW-JTQLQIEISA-N	-1	0	366.374	2.044	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000833733367	605036307	/nfs/dbraw/zinc/03/63/07/605036307.db2.gz	FNAFSCMUMNIXAV-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000833694937	605080869	/nfs/dbraw/zinc/08/08/69/605080869.db2.gz	FRJFRSDSOYKKQE-UHFFFAOYSA-N	-1	0	360.454	2.373	20	10		FECDRM
O=C([O-])N[C@H]1CCc2ncc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2C1	ZINC000834193827	605700089	/nfs/dbraw/zinc/70/00/89/605700089.db2.gz	VHEJYEKVOMOPRC-NHEDYWLLSA-N	-1	0	369.377	2.270	20	10		FECDRM
CN(C)c1noc(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000813685316	674769420	/nfs/dbraw/zinc/76/94/20/674769420.db2.gz	GEWSNZOUDRJVBN-UHFFFAOYSA-N	-1	0	359.213	2.397	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000013311314	670006158	/nfs/dbraw/zinc/00/61/58/670006158.db2.gz	OUAJFAFLESNYTF-UHFFFAOYSA-N	-1	0	354.453	2.333	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000013464084	670006543	/nfs/dbraw/zinc/00/65/43/670006543.db2.gz	YPMPJPQUORASSX-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
CCC[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nnn[n-]1	ZINC000817956995	675187931	/nfs/dbraw/zinc/18/79/31/675187931.db2.gz	HBGPXSCYTITBPV-GFCCVEGCSA-N	-1	0	357.443	2.100	20	10		FECDRM
CC(C)NC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000119591201	671902839	/nfs/dbraw/zinc/90/28/39/671902839.db2.gz	AOTATDFCNFHMRT-UHFFFAOYSA-N	-1	0	360.285	2.341	20	10		FECDRM
O=C(NCCCF)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000154089749	672210263	/nfs/dbraw/zinc/21/02/63/672210263.db2.gz	XUKNHBPEJOALMC-UHFFFAOYSA-N	-1	0	358.416	2.344	20	10		FECDRM
CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000154097162	672210268	/nfs/dbraw/zinc/21/02/68/672210268.db2.gz	HXSJTLQTINVXHR-NSHDSACASA-N	-1	0	353.271	2.213	20	10		FECDRM
COc1cccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1O	ZINC000193768489	672735672	/nfs/dbraw/zinc/73/56/72/672735672.db2.gz	XTPSPVFSBRGEDN-UHFFFAOYSA-N	-1	0	365.304	2.436	20	10		FECDRM
CC1(C)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[S@@]1=O	ZINC000321937315	673041346	/nfs/dbraw/zinc/04/13/46/673041346.db2.gz	CLGSHZMRHOIYIG-WUQPGSQJSA-N	-1	0	352.412	2.430	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	ZINC000819397393	675288069	/nfs/dbraw/zinc/28/80/69/675288069.db2.gz	CAUDQOSKZWKCOO-VDBVYFBLSA-N	-1	0	363.435	2.394	20	10		FECDRM
CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1[O-]	ZINC000823654839	675565473	/nfs/dbraw/zinc/56/54/73/675565473.db2.gz	FBTWGQIWAPYEGG-UHFFFAOYSA-N	-1	0	351.834	2.238	20	10		FECDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000764215052	680803149	/nfs/dbraw/zinc/80/31/49/680803149.db2.gz	CQYKJAHEFDUFHY-CQSZACIVSA-N	-1	0	364.467	2.497	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC	ZINC000840915981	680852812	/nfs/dbraw/zinc/85/28/12/680852812.db2.gz	VECKZGYOLHJSRM-UHFFFAOYSA-N	-1	0	369.395	2.336	20	10		FECDRM
COC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000748009897	679920649	/nfs/dbraw/zinc/92/06/49/679920649.db2.gz	JMPJLQRGHQXFOZ-SNVBAGLBSA-N	-1	0	370.452	2.019	20	10		FECDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C	ZINC000842587465	680953866	/nfs/dbraw/zinc/95/38/66/680953866.db2.gz	GGOKCSUDVSPGGD-UHFFFAOYSA-N	-1	0	352.412	2.359	20	10		FECDRM
Cn1cc(CN2CCN(Cc3cccc(Br)c3[O-])CC2)cn1	ZINC000769309389	680977464	/nfs/dbraw/zinc/97/74/64/680977464.db2.gz	VPYFUNSSRHNBKN-UHFFFAOYSA-N	-1	0	365.275	2.206	20	10		FECDRM
C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(N(C)C)cc1	ZINC000844884773	681089819	/nfs/dbraw/zinc/08/98/19/681089819.db2.gz	DSYRMNBGMPFRLH-ZDUSSCGKSA-N	-1	0	362.451	2.419	20	10		FECDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776433556	681391492	/nfs/dbraw/zinc/39/14/92/681391492.db2.gz	VQGYHGFYXQDBOC-UHFFFAOYSA-N	-1	0	366.351	2.362	20	10		FECDRM
COc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1F	ZINC000848450300	681546158	/nfs/dbraw/zinc/54/61/58/681546158.db2.gz	XREJOLIARBVZPT-UHFFFAOYSA-N	-1	0	366.414	2.472	20	10		FECDRM
COCc1ccccc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000778660646	681636484	/nfs/dbraw/zinc/63/64/84/681636484.db2.gz	ALLXEOQRBHOMAA-UHFFFAOYSA-N	-1	0	364.452	2.491	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1	ZINC000849308998	681682902	/nfs/dbraw/zinc/68/29/02/681682902.db2.gz	XSXLJSQBXIHWSH-HNNXBMFYSA-N	-1	0	357.428	2.126	20	10		FECDRM
C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)[O-]	ZINC000780525260	681838677	/nfs/dbraw/zinc/83/86/77/681838677.db2.gz	TXQYCEOIQPRCKP-JTQLQIEISA-N	-1	0	357.357	2.029	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCSC(C)(C)C)cc1	ZINC000853004186	682363086	/nfs/dbraw/zinc/36/30/86/682363086.db2.gz	AUGORUQPLWRBQP-UHFFFAOYSA-N	-1	0	354.472	2.234	20	10		FECDRM
CC1(F)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC000792526652	682818524	/nfs/dbraw/zinc/81/85/24/682818524.db2.gz	QLLDRKZXVFECDX-UHFFFAOYSA-N	-1	0	370.427	2.439	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)ccc1O	ZINC000797819476	683275661	/nfs/dbraw/zinc/27/56/61/683275661.db2.gz	KKIYBCUFSKVCOC-VIFPVBQESA-N	-1	0	370.452	2.460	20	10		FECDRM
CCn1nc(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000861861713	683487941	/nfs/dbraw/zinc/48/79/41/683487941.db2.gz	SKSGRQCNVWISGF-UHFFFAOYSA-N	-1	0	371.224	2.479	20	10		FECDRM
CCc1ccc(-c2csc([N-]S(=O)(=O)c3cnnn3C)n2)s1	ZINC000863434231	683726215	/nfs/dbraw/zinc/72/62/15/683726215.db2.gz	OXLBCUKNXVUCDI-UHFFFAOYSA-N	-1	0	355.470	2.363	20	10		FECDRM
CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	ZINC000911226430	685185365	/nfs/dbraw/zinc/18/53/65/685185365.db2.gz	HHPCEJUPIPGIRI-OBJOEFQTSA-N	-1	0	352.406	2.166	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)c3csc(C(=O)[O-])n3)CC2)cc1	ZINC000911252372	685188467	/nfs/dbraw/zinc/18/84/67/685188467.db2.gz	QKILYYHNMOXWSA-UHFFFAOYSA-N	-1	0	361.423	2.202	20	10		FECDRM
Cc1c(Cl)c(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)nn1C	ZINC000911359750	685202658	/nfs/dbraw/zinc/20/26/58/685202658.db2.gz	FDGXRPQMIZRTKF-UHFFFAOYSA-N	-1	0	372.208	2.468	20	10		FECDRM
COCc1ncsc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360855	685202898	/nfs/dbraw/zinc/20/28/98/685202898.db2.gz	ZNBUZZYOUPLCCH-UHFFFAOYSA-N	-1	0	370.814	2.376	20	10		FECDRM
CC(C)(C)n1nnc(CNCc2cc(Br)cc(F)c2[O-])n1	ZINC000883162184	687579386	/nfs/dbraw/zinc/57/93/86/687579386.db2.gz	LMDVDUMRIDGHBG-UHFFFAOYSA-N	-1	0	358.215	2.325	20	10		FECDRM
CN(C1CCOCC1)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135464	674321848	/nfs/dbraw/zinc/32/18/48/674321848.db2.gz	MELKGUPDGBGTSA-UHFFFAOYSA-N	-1	0	369.270	2.144	20	10		FECDRM
O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cnn(C2CCOCC2)c1	ZINC000182492461	547502341	/nfs/dbraw/zinc/50/23/41/547502341.db2.gz	VSDCDKRROLLQTH-UHFFFAOYSA-N	-1	0	357.819	2.394	20	10		FECDRM
O=C(Nc1ccc(CCN2CCOCC2)cc1)c1c(F)ccc(O)c1[O-]	ZINC000276540931	550579106	/nfs/dbraw/zinc/57/91/06/550579106.db2.gz	GEZDDISWAJAYTH-UHFFFAOYSA-N	-1	0	360.385	2.364	20	10		FECDRM
Cc1nc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(Br)n1C	ZINC000288670054	552195538	/nfs/dbraw/zinc/19/55/38/552195538.db2.gz	ZGYILIPZNVQGLL-UHFFFAOYSA-N	-1	0	360.233	2.306	20	10		FECDRM
O=C([O-])CCCN1C(=O)/C(=C\c2cnn(CC(F)F)c2)SC1=S	ZINC000292364367	552719838	/nfs/dbraw/zinc/71/98/38/552719838.db2.gz	RKZMQYOVPJCFGA-RUDMXATFSA-N	-1	0	361.395	2.214	20	10		FECDRM
C[C@H]1CN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cn2)C[C@H](C)O1	ZINC000295000869	552950478	/nfs/dbraw/zinc/95/04/78/552950478.db2.gz	ZWUXNOSFQOJWBO-QWRGUYRKSA-N	-1	0	361.373	2.498	20	10		FECDRM
COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)nn1	ZINC000365266348	555527323	/nfs/dbraw/zinc/52/73/23/555527323.db2.gz	KZWBDOKQPQWNLJ-SNVBAGLBSA-N	-1	0	368.796	2.400	20	10		FECDRM
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000365680782	555639383	/nfs/dbraw/zinc/63/93/83/555639383.db2.gz	SANTYQUPGOGIKZ-QFYYESIMSA-N	-1	0	362.407	2.016	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)c3nnn[n-]3)ccc21	ZINC000461636649	560778280	/nfs/dbraw/zinc/77/82/80/560778280.db2.gz	LPGRZSMGMWHEGF-UHFFFAOYSA-N	-1	0	356.430	2.083	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc(F)n1	ZINC000807513100	674418266	/nfs/dbraw/zinc/41/82/66/674418266.db2.gz	GECZGMIRNKEKIA-UHFFFAOYSA-N	-1	0	358.156	2.488	20	10		FECDRM
CN(CCC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000818429233	596993611	/nfs/dbraw/zinc/99/36/11/596993611.db2.gz	XPKXIXLECHYMGU-UHFFFAOYSA-N	-1	0	371.384	2.373	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1CCS(=O)(=O)CC1	ZINC000807835547	674431123	/nfs/dbraw/zinc/43/11/23/674431123.db2.gz	GVFMVJYULSWFLJ-UHFFFAOYSA-N	-1	0	352.239	2.140	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1	ZINC000737379326	599721467	/nfs/dbraw/zinc/72/14/67/599721467.db2.gz	WUGLKLWKNDNAEL-UHFFFAOYSA-N	-1	0	374.372	2.237	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)NC(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000736821985	600156410	/nfs/dbraw/zinc/15/64/10/600156410.db2.gz	BLMUKVGHGKQDQD-VXGBXAGGSA-N	-1	0	367.421	2.102	20	10		FECDRM
COC(=O)[C@H]1CC12CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737579370	600282999	/nfs/dbraw/zinc/28/29/99/600282999.db2.gz	RWMZPIHTEOTUQU-MASHWEEQSA-N	-1	0	360.366	2.472	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)NCc3ccc(C(=O)[O-])o3)CC2)cc1	ZINC000738020839	600533775	/nfs/dbraw/zinc/53/37/75/600533775.db2.gz	FVFQZAXJKLPSOW-UHFFFAOYSA-N	-1	0	373.409	2.455	20	10		FECDRM
Nc1cc(C2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)[nH]n1	ZINC000833090303	601141062	/nfs/dbraw/zinc/14/10/62/601141062.db2.gz	HRDRQZJASREGOA-DUXPYHPUSA-N	-1	0	357.370	2.382	20	10		FECDRM
O=C([O-])NCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000833280046	601590501	/nfs/dbraw/zinc/59/05/01/601590501.db2.gz	DLYJKVJSKULWCL-UHFFFAOYSA-N	-1	0	352.346	2.448	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000832974619	601597357	/nfs/dbraw/zinc/59/73/57/601597357.db2.gz	KWZALJMLGZLOKZ-GOSISDBHSA-N	-1	0	356.422	2.371	20	10		FECDRM
CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000739226124	602132538	/nfs/dbraw/zinc/13/25/38/602132538.db2.gz	BJSZAUDKDCFERH-PBHICJAKSA-N	-1	0	363.458	2.416	20	10		FECDRM
CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)ccc21	ZINC000739731355	602148886	/nfs/dbraw/zinc/14/88/86/602148886.db2.gz	OYWJFNSZCYCRKD-HNNXBMFYSA-N	-1	0	360.458	2.258	20	10		FECDRM
O=C1CN(Cc2cccc(Br)c2[O-])CCN1CC(F)(F)F	ZINC000809711043	674506549	/nfs/dbraw/zinc/50/65/49/674506549.db2.gz	HWQRJUCAFZGVKU-UHFFFAOYSA-N	-1	0	367.165	2.361	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cnn(C(C)(C)C)c2)NC(=O)[O-])cc1	ZINC000828063165	603030978	/nfs/dbraw/zinc/03/09/78/603030978.db2.gz	BBOALNHYMBOGDK-INIZCTEOSA-N	-1	0	373.457	2.443	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)NC(=O)[O-])cc1	ZINC000828056986	603032106	/nfs/dbraw/zinc/03/21/06/603032106.db2.gz	YDBQJBPWAANHDN-WMZOPIPTSA-N	-1	0	369.421	2.181	20	10		FECDRM
O=C([O-])N[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000832270159	603494061	/nfs/dbraw/zinc/49/40/61/603494061.db2.gz	OKFCWUHJXJZSSH-CABCVRRESA-N	-1	0	363.483	2.292	20	10		FECDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCCSc1nccs1	ZINC000826110465	603575025	/nfs/dbraw/zinc/57/50/25/603575025.db2.gz	RDWYKOUVBWMNPJ-VHSXEESVSA-N	-1	0	359.473	2.245	20	10		FECDRM
CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CCN(C(=O)[O-])CC1	ZINC000828488243	604031178	/nfs/dbraw/zinc/03/11/78/604031178.db2.gz	LZHOVQWYSQNNQI-UHFFFAOYSA-N	-1	0	360.458	2.353	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)CC3(NC(=O)[O-])CCC3)CC2)cc1	ZINC000829424433	604142606	/nfs/dbraw/zinc/14/26/06/604142606.db2.gz	QEHYZYXFAOQUOG-UHFFFAOYSA-N	-1	0	361.442	2.361	20	10		FECDRM
COc1cc(OC)cc([C@@H](OC(=O)c2ccc(C)c(O)c2O)C(=O)[O-])c1	ZINC000832080829	604576882	/nfs/dbraw/zinc/57/68/82/604576882.db2.gz	RNUBEACSGLQLMI-MRXNPFEDSA-N	-1	0	362.334	2.406	20	10		FECDRM
COc1ccc(O)c(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1	ZINC000833733863	604920265	/nfs/dbraw/zinc/92/02/65/604920265.db2.gz	UFMCNUFCHMIEOR-UHFFFAOYSA-N	-1	0	356.338	2.297	20	10		FECDRM
O=C([O-])N[C@H]1CCc2ncc(NC(=O)NCc3ccccc3O)cc2C1	ZINC000834197398	605364628	/nfs/dbraw/zinc/36/46/28/605364628.db2.gz	SWHZFIMDZIXFGE-ZDUSSCGKSA-N	-1	0	356.382	2.234	20	10		FECDRM
O=C([O-])N1CCC[C@H](OCC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831518010	605366313	/nfs/dbraw/zinc/36/63/13/605366313.db2.gz	XDBVLPJFFIWPLK-AWEZNQCLSA-N	-1	0	362.426	2.046	20	10		FECDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000825825031	605384061	/nfs/dbraw/zinc/38/40/61/605384061.db2.gz	WYJCWDCWBLZPDH-CZUORRHYSA-N	-1	0	360.458	2.399	20	10		FECDRM
COC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc(C(=O)[O-])c1	ZINC000833712660	605525071	/nfs/dbraw/zinc/52/50/71/605525071.db2.gz	GWWSWIZBYKIZFH-HYXAFXHYSA-N	-1	0	357.318	2.235	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CSCCN2C(=O)[O-])cc1	ZINC000828355163	605596089	/nfs/dbraw/zinc/59/60/89/605596089.db2.gz	IWMIVCWAOUZQGD-OAHLLOKOSA-N	-1	0	351.472	2.197	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CSCCN2C(=O)[O-])c1	ZINC000829484310	605899375	/nfs/dbraw/zinc/89/93/75/605899375.db2.gz	RJLUBQJESIIHPT-QWRGUYRKSA-N	-1	0	354.428	2.064	20	10		FECDRM
O=C([O-])N[C@@H](CC(F)F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000834131327	606080219	/nfs/dbraw/zinc/08/02/19/606080219.db2.gz	UCKGMYDVOVVYPG-OLZOCXBDSA-N	-1	0	372.368	2.191	20	10		FECDRM
Cc1ccnc2nc(C(=O)NCc3cc(Cl)cc(Cl)c3[O-])nn21	ZINC000813685542	674769388	/nfs/dbraw/zinc/76/93/88/674769388.db2.gz	KCXYGOYMLVNYRH-UHFFFAOYSA-N	-1	0	352.181	2.375	20	10		FECDRM
CC[C@H](C)NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816484749	675058763	/nfs/dbraw/zinc/05/87/63/675058763.db2.gz	NFOLWTPGUFGLMW-LBPRGKRZSA-N	-1	0	357.857	2.217	20	10		FECDRM
O=S(=O)([N-]c1ccc(-n2nccn2)cc1)c1cccc2nsnc21	ZINC000055590957	670352262	/nfs/dbraw/zinc/35/22/62/670352262.db2.gz	YTETYXBNSAAINB-UHFFFAOYSA-N	-1	0	358.408	2.073	20	10		FECDRM
CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000154097060	672210156	/nfs/dbraw/zinc/21/01/56/672210156.db2.gz	HXSJTLQTINVXHR-LLVKDONJSA-N	-1	0	353.271	2.213	20	10		FECDRM
Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)CCO4)cs2)n1	ZINC000727247997	673162822	/nfs/dbraw/zinc/16/28/22/673162822.db2.gz	YXHQBGHDKXFJAC-UHFFFAOYSA-N	-1	0	362.436	2.279	20	10		FECDRM
COc1ccc(O)c(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1	ZINC000734015421	673449022	/nfs/dbraw/zinc/44/90/22/673449022.db2.gz	ISHKBMVLSIAAHW-UHFFFAOYSA-N	-1	0	357.391	2.268	20	10		FECDRM
O=S1(=O)CCN(Cc2cccc(Br)c2[O-])[C@H]2CCC[C@@H]21	ZINC000825203136	675641502	/nfs/dbraw/zinc/64/15/02/675641502.db2.gz	XRJKRRPJMPVJPW-STQMWFEESA-N	-1	0	360.273	2.306	20	10		FECDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000755737399	680432104	/nfs/dbraw/zinc/43/21/04/680432104.db2.gz	RPGOLADBNPFOQD-UHFFFAOYSA-N	-1	0	371.421	2.447	20	10		FECDRM
Cn1cc(CN2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cn1	ZINC000769308230	680977422	/nfs/dbraw/zinc/97/74/22/680977422.db2.gz	NEPRPHNEENSQIL-UHFFFAOYSA-N	-1	0	365.821	2.005	20	10		FECDRM
CS(=O)(=O)[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844220311	681045512	/nfs/dbraw/zinc/04/55/12/681045512.db2.gz	YXDBXBBORDYYSQ-VGVVRCBHSA-N	-1	0	368.411	2.096	20	10		FECDRM
CN(CCCS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279438	681218645	/nfs/dbraw/zinc/21/86/45/681218645.db2.gz	DSYYGJQWQQCWAV-UHFFFAOYSA-N	-1	0	363.435	2.450	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1OCC(=O)[O-]	ZINC000776745252	681432474	/nfs/dbraw/zinc/43/24/74/681432474.db2.gz	UGERDKTXQGZBDV-UHFFFAOYSA-N	-1	0	351.380	2.273	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1[O-]	ZINC000849369565	681697036	/nfs/dbraw/zinc/69/70/36/681697036.db2.gz	YNBRRYANQAZUCX-UHFFFAOYSA-N	-1	0	362.451	2.050	20	10		FECDRM
O=C([O-])c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c(Cl)c1	ZINC000783702268	682168079	/nfs/dbraw/zinc/16/80/79/682168079.db2.gz	ULHKGDFOQIGJJY-XYOKQWHBSA-N	-1	0	352.799	2.341	20	10		FECDRM
O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000789768322	682629885	/nfs/dbraw/zinc/62/98/85/682629885.db2.gz	HCVFBCFHIMMLNR-ZDUSSCGKSA-N	-1	0	362.854	2.185	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(F)c1	ZINC000790385593	682672646	/nfs/dbraw/zinc/67/26/46/682672646.db2.gz	UNNJIHUAQBSYKZ-UHFFFAOYSA-N	-1	0	374.415	2.007	20	10		FECDRM
COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(OC)c1	ZINC000797819537	683275877	/nfs/dbraw/zinc/27/58/77/683275877.db2.gz	LLGNDUYWUPRZBV-UHFFFAOYSA-N	-1	0	369.395	2.227	20	10		FECDRM
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1	ZINC000920040474	683314462	/nfs/dbraw/zinc/31/44/62/683314462.db2.gz	SAUJUUWSMYYNRY-LLVKDONJSA-N	-1	0	366.414	2.436	20	10		FECDRM
C[S@](=O)(=NS(=O)(=O)[N-]Cc1c(O)cccc1F)C1CCCCC1	ZINC000921450548	683471981	/nfs/dbraw/zinc/47/19/81/683471981.db2.gz	AOQKPBBQGHXGKG-JOCHJYFZSA-N	-1	0	364.464	2.296	20	10		FECDRM
Cc1nccnc1N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000799735636	683488882	/nfs/dbraw/zinc/48/88/82/683488882.db2.gz	CCUQSELSQYCFRW-UHFFFAOYSA-N	-1	0	363.805	2.374	20	10		FECDRM
C[C@H](NC(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000929046496	683539713	/nfs/dbraw/zinc/53/97/13/683539713.db2.gz	WCLVTOPYUOZXBY-NHYWBVRUSA-N	-1	0	362.455	2.265	20	10		FECDRM
COC(=O)C1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000867270170	684235861	/nfs/dbraw/zinc/23/58/61/684235861.db2.gz	LSXIFLWPYVRMDY-UHFFFAOYSA-N	-1	0	368.238	2.072	20	10		FECDRM
O=C([O-])CSCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000911095646	685162967	/nfs/dbraw/zinc/16/29/67/685162967.db2.gz	FAGFHTWDKUQZRI-AWEZNQCLSA-N	-1	0	353.440	2.108	20	10		FECDRM
O=S(=O)(CCn1ccnc1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000882197182	687322364	/nfs/dbraw/zinc/32/23/64/687322364.db2.gz	IEORKYIHXZODTK-UHFFFAOYSA-N	-1	0	350.227	2.015	20	10		FECDRM
CC[C@@H](NCc1nnc2n1CCNC2=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000883305104	687604703	/nfs/dbraw/zinc/60/47/03/687604703.db2.gz	OWMNOWQKDJMRMU-LLVKDONJSA-N	-1	0	370.240	2.275	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC(C)(C)CC(F)F)cc1	ZINC000887312429	688404722	/nfs/dbraw/zinc/40/47/22/688404722.db2.gz	QENSRYUSWFOXFV-UHFFFAOYSA-N	-1	0	358.385	2.384	20	10		FECDRM
Cn1cc([C@H]2C[S@@](=O)CCN2Cc2c([O-])ccc(Cl)c2F)cn1	ZINC000895377782	689706442	/nfs/dbraw/zinc/70/64/42/689706442.db2.gz	HBSOQOHYFIQLRO-ZLOXQWCVSA-N	-1	0	357.838	2.224	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC2C[C@H]3CC[C@@H](C2)S3)cc1	ZINC000899851260	690428427	/nfs/dbraw/zinc/42/84/27/690428427.db2.gz	SSHVCZPEHZPSNE-SFESLNEESA-N	-1	0	364.467	2.129	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1F	ZINC000780490552	939128822	/nfs/dbraw/zinc/12/88/22/939128822.db2.gz	XPYJCMINQZKZEG-UHFFFAOYSA-N	-1	0	371.412	2.313	20	10		FECDRM
CC(C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O	ZINC000805172157	674324121	/nfs/dbraw/zinc/32/41/21/674324121.db2.gz	SPNXUYHSWKQCGB-UHFFFAOYSA-N	-1	0	369.270	2.321	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c[nH]1	ZINC000277717863	550705886	/nfs/dbraw/zinc/70/58/86/550705886.db2.gz	RWRMTAXQUNNWAM-UHFFFAOYSA-N	-1	0	354.384	2.095	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000295890883	553072499	/nfs/dbraw/zinc/07/24/99/553072499.db2.gz	CQUJRBWSRVLIGA-LJQANCHMSA-N	-1	0	363.360	2.443	20	10		FECDRM
Cc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(C)n1-c1cccc(C)c1	ZINC000377595092	558373277	/nfs/dbraw/zinc/37/32/77/558373277.db2.gz	KNQWPAKGNPHWLP-QGZVFWFLSA-N	-1	0	366.425	2.129	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	ZINC000378280360	558518834	/nfs/dbraw/zinc/51/88/34/558518834.db2.gz	GBKGCNHVAXPZLY-JSGCOSHPSA-N	-1	0	351.424	2.134	20	10		FECDRM
O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839388	674431418	/nfs/dbraw/zinc/43/14/18/674431418.db2.gz	CYBGZEBTPFAHHE-QMMMGPOBSA-N	-1	0	352.239	2.140	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000808110264	674441535	/nfs/dbraw/zinc/44/15/35/674441535.db2.gz	FGWONSIGVQTKRJ-UHFFFAOYSA-N	-1	0	357.413	2.007	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)ccc21	ZINC000737517067	600350461	/nfs/dbraw/zinc/35/04/61/600350461.db2.gz	HETKFFRURYUZMF-INIZCTEOSA-N	-1	0	357.454	2.465	20	10		FECDRM
O=C([O-])Nc1ccc(CNC(=O)COC(=O)C2=CC(=O)CS2)cc1	ZINC000740024630	600368848	/nfs/dbraw/zinc/36/88/48/600368848.db2.gz	IILFBBFFFYRBNC-UHFFFAOYSA-N	-1	0	350.352	2.017	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000738401767	600639626	/nfs/dbraw/zinc/63/96/26/600639626.db2.gz	HWYXVFUGAXVDIX-UHFFFAOYSA-N	-1	0	362.451	2.167	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3ccc(CC(=O)[O-])cc3)ccc21	ZINC000737519575	600650118	/nfs/dbraw/zinc/65/01/18/600650118.db2.gz	YWVXNXABGCHGPB-UHFFFAOYSA-N	-1	0	374.462	2.175	20	10		FECDRM
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1	ZINC000737553230	600850858	/nfs/dbraw/zinc/85/08/58/600850858.db2.gz	XJQLQJPRWBBRKI-IDTUSYRASA-N	-1	0	365.389	2.060	20	10		FECDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	ZINC000831067754	601278330	/nfs/dbraw/zinc/27/83/30/601278330.db2.gz	VRZAUMMZCODGDU-KRWDZBQOSA-N	-1	0	372.421	2.457	20	10		FECDRM
COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C(=O)[O-]	ZINC000831134951	601278723	/nfs/dbraw/zinc/27/87/23/601278723.db2.gz	WIFGTXIPIDNLLD-QGZVFWFLSA-N	-1	0	372.421	2.457	20	10		FECDRM
COC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-]	ZINC000262058906	601695497	/nfs/dbraw/zinc/69/54/97/601695497.db2.gz	GVKJSTAZGOYCBL-IBGZPJMESA-N	-1	0	360.410	2.322	20	10		FECDRM
C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000827280117	602174779	/nfs/dbraw/zinc/17/47/79/602174779.db2.gz	KDGOKOIWXBVLEZ-NEPJUHHUSA-N	-1	0	356.369	2.484	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)cc1	ZINC000832383556	602358226	/nfs/dbraw/zinc/35/82/26/602358226.db2.gz	LFGWHLOSZCERKS-UHFFFAOYSA-N	-1	0	372.425	2.476	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1F	ZINC000739647947	602418828	/nfs/dbraw/zinc/41/88/28/602418828.db2.gz	CNNRVZCBTUMUCJ-UHFFFAOYSA-N	-1	0	366.437	2.423	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2C[C@H](O)COCc1ccco1	ZINC000740673430	602654037	/nfs/dbraw/zinc/65/40/37/602654037.db2.gz	BZRYDDCFUZFJFD-INIZCTEOSA-N	-1	0	360.410	2.378	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)NC(=O)[O-])cc1	ZINC000828063320	603028884	/nfs/dbraw/zinc/02/88/84/603028884.db2.gz	CCOPRDGASLZWMY-MRXNPFEDSA-N	-1	0	372.381	2.400	20	10		FECDRM
COc1ccccc1CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829619801	603029746	/nfs/dbraw/zinc/02/97/46/603029746.db2.gz	YOHZWUZDMQDJOI-KRWDZBQOSA-N	-1	0	371.437	2.429	20	10		FECDRM
C[C@@H](Oc1cccnc1)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825616241	603033301	/nfs/dbraw/zinc/03/33/01/603033301.db2.gz	AHCFYWVPWORFMU-DYVFJYSZSA-N	-1	0	372.425	2.040	20	10		FECDRM
C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC(=O)[O-]	ZINC000824624420	603070269	/nfs/dbraw/zinc/07/02/69/603070269.db2.gz	ZYONTWSYRGFXBB-VXGBXAGGSA-N	-1	0	371.384	2.419	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829424909	603501921	/nfs/dbraw/zinc/50/19/21/603501921.db2.gz	UXTYILHDJNEHNJ-GJZGRUSLSA-N	-1	0	361.442	2.170	20	10		FECDRM
O=C([O-])N(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC1CC1	ZINC000831815571	603585508	/nfs/dbraw/zinc/58/55/08/603585508.db2.gz	NIIRXXUBNQPUMG-MRXNPFEDSA-N	-1	0	362.426	2.290	20	10		FECDRM
COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1	ZINC000829484991	604137649	/nfs/dbraw/zinc/13/76/49/604137649.db2.gz	ZJRQGBRAASISOL-FZMZJTMJSA-N	-1	0	351.403	2.026	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	ZINC000825354057	604436887	/nfs/dbraw/zinc/43/68/87/604436887.db2.gz	YWHMELYYNLWOOI-NHYWBVRUSA-N	-1	0	352.431	2.252	20	10		FECDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824346422	604730466	/nfs/dbraw/zinc/73/04/66/604730466.db2.gz	IJSBGYACORGCLL-KRWDZBQOSA-N	-1	0	363.458	2.259	20	10		FECDRM
CC(C)N(CC(F)(F)F)C(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000833496478	605440412	/nfs/dbraw/zinc/44/04/12/605440412.db2.gz	FVIUFKJJQKOGNH-UHFFFAOYSA-N	-1	0	362.348	2.386	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC2)cc1	ZINC000829424721	605691004	/nfs/dbraw/zinc/69/10/04/605691004.db2.gz	UDNSUYDUDCBGMJ-MRXNPFEDSA-N	-1	0	363.458	2.463	20	10		FECDRM
Cc1c(Cl)c(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)nn1C	ZINC000817707840	675163789	/nfs/dbraw/zinc/16/37/89/675163789.db2.gz	PAYBJDQSTQCCTL-RMKNXTFCSA-N	-1	0	359.860	2.448	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F	ZINC000184968483	672514666	/nfs/dbraw/zinc/51/46/66/672514666.db2.gz	LJKIXDVEMVTZTI-UHFFFAOYSA-N	-1	0	358.416	2.130	20	10		FECDRM
NC(=O)c1ccc(NC(=S)NNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000726434927	673121620	/nfs/dbraw/zinc/12/16/20/673121620.db2.gz	WHHNUODDAQPBQF-UHFFFAOYSA-N	-1	0	364.814	2.451	20	10		FECDRM
COC(=O)c1n[nH]c2c1CN(Cc1cccc(Br)c1[O-])CC2	ZINC000825016540	675633753	/nfs/dbraw/zinc/63/37/53/675633753.db2.gz	DPWVTDNUILZHNJ-UHFFFAOYSA-N	-1	0	366.215	2.223	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1O	ZINC000830018599	677021787	/nfs/dbraw/zinc/02/17/87/677021787.db2.gz	OTKPKQHTJWOJBK-UHFFFAOYSA-N	-1	0	353.400	2.147	20	10		FECDRM
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1C	ZINC000760514377	680691109	/nfs/dbraw/zinc/69/11/09/680691109.db2.gz	BKYILXWOCHEALX-UHFFFAOYSA-N	-1	0	358.803	2.362	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(CCC3)S(=O)(=O)CC2)c1[O-]	ZINC000840970125	680857902	/nfs/dbraw/zinc/85/79/02/680857902.db2.gz	PNELXQNLVADRBX-UHFFFAOYSA-N	-1	0	374.846	2.497	20	10		FECDRM
C[C@@H](NCc1nnnn1C1CC1)c1cc(Br)cc(F)c1[O-]	ZINC000756733956	680495590	/nfs/dbraw/zinc/49/55/90/680495590.db2.gz	UINDXMOHYROBDF-SSDOTTSWSA-N	-1	0	356.199	2.466	20	10		FECDRM
C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-]	ZINC000756776439	680497317	/nfs/dbraw/zinc/49/73/17/680497317.db2.gz	PGLYEMKTAWRQEY-OQPBUACISA-N	-1	0	358.211	2.412	20	10		FECDRM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000758772866	680606743	/nfs/dbraw/zinc/60/67/43/680606743.db2.gz	DGHVUMAAZQAFMV-UHFFFAOYSA-N	-1	0	355.393	2.244	20	10		FECDRM
COc1cc(Cl)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1O	ZINC000758816976	680609262	/nfs/dbraw/zinc/60/92/62/680609262.db2.gz	VTLLKJRVXQHJBV-YCRREMRBSA-N	-1	0	359.812	2.340	20	10		FECDRM
O=C([O-])C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	ZINC000844252489	681046634	/nfs/dbraw/zinc/04/66/34/681046634.db2.gz	TWDKEGXQORYMOH-UHFFFAOYSA-N	-1	0	354.353	2.238	20	10		FECDRM
O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)C1	ZINC000844933280	681094013	/nfs/dbraw/zinc/09/40/13/681094013.db2.gz	DXVFOISZMNOLDB-LLVKDONJSA-N	-1	0	370.808	2.082	20	10		FECDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1n[n-]c(=S)s1	ZINC000773749084	681154359	/nfs/dbraw/zinc/15/43/59/681154359.db2.gz	OJLVYDOCELVRBG-SSDOTTSWSA-N	-1	0	357.482	2.078	20	10		FECDRM
COc1ccc(N(C)CCN(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1	ZINC000846128057	681187532	/nfs/dbraw/zinc/18/75/32/681187532.db2.gz	NWLZIEKLSFCYHY-UHFFFAOYSA-N	-1	0	351.447	2.274	20	10		FECDRM
O=C([O-])C1(NC(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1	ZINC000780442112	681827745	/nfs/dbraw/zinc/82/77/45/681827745.db2.gz	DCRAFTANPAPVMY-UHFFFAOYSA-N	-1	0	363.483	2.436	20	10		FECDRM
CCC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000780444049	681828329	/nfs/dbraw/zinc/82/83/29/681828329.db2.gz	PQNVGIVMIPPYLO-OAHLLOKOSA-N	-1	0	351.472	2.292	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(OC)c1	ZINC000785488021	682302467	/nfs/dbraw/zinc/30/24/67/682302467.db2.gz	MLYCBRNVENFESX-UHFFFAOYSA-N	-1	0	351.380	2.297	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)cc1	ZINC000853010556	682363406	/nfs/dbraw/zinc/36/34/06/682363406.db2.gz	FRQAQCHWQLVZMH-IRXDYDNUSA-N	-1	0	372.824	2.407	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000853032561	682366325	/nfs/dbraw/zinc/36/63/25/682366325.db2.gz	UOXFVLDFIDAKHA-UHFFFAOYSA-N	-1	0	355.368	2.027	20	10		FECDRM
O=C([O-])[C@H](CNC(=O)NCc1cccc(Br)c1O)C1CCC1	ZINC000854234388	682527139	/nfs/dbraw/zinc/52/71/39/682527139.db2.gz	FCQUYWJXKQXJRF-LLVKDONJSA-N	-1	0	371.231	2.455	20	10		FECDRM
O=C(CN1CCN(C2CC2)C1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000854475922	682555837	/nfs/dbraw/zinc/55/58/37/682555837.db2.gz	XVMVWLTWFZPWPD-UHFFFAOYSA-N	-1	0	358.225	2.215	20	10		FECDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1SC	ZINC000792703039	682829330	/nfs/dbraw/zinc/82/93/30/682829330.db2.gz	PBZHIBJPOXQPDC-UHFFFAOYSA-N	-1	0	371.440	2.123	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1F	ZINC000797715609	683266976	/nfs/dbraw/zinc/26/69/76/683266976.db2.gz	ROACQXPNIJZRDH-SNVBAGLBSA-N	-1	0	351.300	2.097	20	10		FECDRM
COC(=O)/C(C)=C/CNC(=O)NCc1cccc(Br)c1O	ZINC000925019710	684516937	/nfs/dbraw/zinc/51/69/37/684516937.db2.gz	RQIUZQDDNHYQGG-RMKNXTFCSA-N	-1	0	357.204	2.073	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCc3ccsc3C2)cc1	ZINC000872959068	685039868	/nfs/dbraw/zinc/03/98/68/685039868.db2.gz	LVTCJDZBJLXGQZ-UHFFFAOYSA-N	-1	0	360.435	2.233	20	10		FECDRM
O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC000882197763	687322427	/nfs/dbraw/zinc/32/24/27/687322427.db2.gz	MPQYYDYEZRHYNN-MVWJERBFSA-N	-1	0	352.239	2.438	20	10		FECDRM
NC(=O)N1CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1	ZINC000893988054	689443754	/nfs/dbraw/zinc/44/37/54/689443754.db2.gz	YEFPPNLHICBNIV-UHFFFAOYSA-N	-1	0	362.655	2.395	20	10		FECDRM
C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000895323667	689695687	/nfs/dbraw/zinc/69/56/87/689695687.db2.gz	FVMOOVCBGQKJPL-GWCFXTLKSA-N	-1	0	350.640	2.126	20	10		FECDRM
Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(F)cc2[O-])cn1	ZINC000895380271	689706717	/nfs/dbraw/zinc/70/67/17/689706717.db2.gz	NZIBOVAHYKPDAM-FATZIPQQSA-N	-1	0	357.838	2.224	20	10		FECDRM
COC(=O)[C@H](C[C@H]1CCCO1)NCc1cccc(Br)c1[O-]	ZINC000895863767	689784054	/nfs/dbraw/zinc/78/40/54/689784054.db2.gz	NJYCIKAXMUKKKW-YPMHNXCESA-N	-1	0	358.232	2.355	20	10		FECDRM
O=C1NCCC2(CN(Cc3cc(Cl)cc(Br)c3[O-])C2)O1	ZINC000897749364	690074826	/nfs/dbraw/zinc/07/48/26/690074826.db2.gz	GIEMPMYVIYFXIM-UHFFFAOYSA-N	-1	0	361.623	2.492	20	10		FECDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCCCO2	ZINC000901703884	690681514	/nfs/dbraw/zinc/68/15/14/690681514.db2.gz	KKHIOPQDJKRPAB-UHFFFAOYSA-N	-1	0	351.380	2.363	20	10		FECDRM
CCn1cncc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135326	674321777	/nfs/dbraw/zinc/32/17/77/674321777.db2.gz	JOZDXJKKHUKPLZ-UHFFFAOYSA-N	-1	0	350.227	2.394	20	10		FECDRM
Cc1cc(NC(=O)CN2CCN(Cc3cccc(Cl)c3[O-])CC2)no1	ZINC000179642929	546990121	/nfs/dbraw/zinc/99/01/21/546990121.db2.gz	BDLHVYRQYOJLAI-UHFFFAOYSA-N	-1	0	364.833	2.098	20	10		FECDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	ZINC000179969771	547034763	/nfs/dbraw/zinc/03/47/63/547034763.db2.gz	MPGYJIPRQOXBTL-QZTJIDSGSA-N	-1	0	374.481	2.403	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2C)cc1	ZINC000262410754	549817869	/nfs/dbraw/zinc/81/78/69/549817869.db2.gz	BHVALVMXHRUFIZ-KRWDZBQOSA-N	-1	0	358.394	2.028	20	10		FECDRM
C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273435943	550498568	/nfs/dbraw/zinc/49/85/68/550498568.db2.gz	MCDHOUVNAZLWMT-LKFCYVNXSA-N	-1	0	374.319	2.135	20	10		FECDRM
O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c(F)ccc(O)c1O	ZINC000295335165	552989278	/nfs/dbraw/zinc/98/92/78/552989278.db2.gz	UJOXEWXEGAFAKC-UHFFFAOYSA-N	-1	0	374.412	2.124	20	10		FECDRM
Cc1cnn(C[C@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)c1	ZINC000738811143	599967915	/nfs/dbraw/zinc/96/79/15/599967915.db2.gz	GFJMLCNXRUUWIA-UYWPIULCSA-N	-1	0	372.381	2.103	20	10		FECDRM
CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1	ZINC000737553235	600850750	/nfs/dbraw/zinc/85/07/50/600850750.db2.gz	XJQLQJPRWBBRKI-XHPSBEMXSA-N	-1	0	365.389	2.060	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000013094215	601208395	/nfs/dbraw/zinc/20/83/95/601208395.db2.gz	PZCBJXXDBNRKJL-UHFFFAOYSA-N	-1	0	366.414	2.411	20	10		FECDRM
CCN(CC(=O)NC)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C	ZINC000829618791	601594567	/nfs/dbraw/zinc/59/45/67/601594567.db2.gz	IAUWTWOIHGWKHQ-UHFFFAOYSA-N	-1	0	371.437	2.043	20	10		FECDRM
Cc1cc(C(=O)CN2CCC[C@H]2CO)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832858083	601594882	/nfs/dbraw/zinc/59/48/82/601594882.db2.gz	GYFXYDOADWBGSH-KRWDZBQOSA-N	-1	0	356.422	2.432	20	10		FECDRM
C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000827280122	602174775	/nfs/dbraw/zinc/17/47/75/602174775.db2.gz	KDGOKOIWXBVLEZ-RYUDHWBXSA-N	-1	0	356.369	2.484	20	10		FECDRM
CC(C)(NC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000736327993	602254952	/nfs/dbraw/zinc/25/49/52/602254952.db2.gz	KXKWBTGKVWXJBS-UHFFFAOYSA-N	-1	0	371.384	2.419	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739760559	602431360	/nfs/dbraw/zinc/43/13/60/602431360.db2.gz	HFSHNHJUTMDNSM-LBPRGKRZSA-N	-1	0	370.833	2.411	20	10		FECDRM
O=C([O-])N1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000738640988	602435453	/nfs/dbraw/zinc/43/54/53/602435453.db2.gz	LGAJXEWGFRATHC-CVEARBPZSA-N	-1	0	362.426	2.290	20	10		FECDRM
CN(C(=O)[O-])C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	ZINC000738016967	602562753	/nfs/dbraw/zinc/56/27/53/602562753.db2.gz	SVHUKKWFZDRAIB-UHFFFAOYSA-N	-1	0	360.458	2.353	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000739925553	602574525	/nfs/dbraw/zinc/57/45/25/602574525.db2.gz	PHPQVCVDZUGFQH-LRDDRELGSA-N	-1	0	358.394	2.457	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000740002725	602576460	/nfs/dbraw/zinc/57/64/60/602576460.db2.gz	SSSFVMMAUHJKFE-UHFFFAOYSA-N	-1	0	365.367	2.106	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1F	ZINC000739650894	602626189	/nfs/dbraw/zinc/62/61/89/602626189.db2.gz	RQOUYXOVGADCNL-CYBMUJFWSA-N	-1	0	352.410	2.033	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)cc1F	ZINC000739619788	602652794	/nfs/dbraw/zinc/65/27/94/602652794.db2.gz	ZKTTZVPIZOVOMJ-CYBMUJFWSA-N	-1	0	366.437	2.471	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])cc1F	ZINC000739415360	602687648	/nfs/dbraw/zinc/68/76/48/602687648.db2.gz	UVBJIRANEPOHSI-AWEZNQCLSA-N	-1	0	355.435	2.341	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1NC(=O)[O-]	ZINC000739141596	602936372	/nfs/dbraw/zinc/93/63/72/602936372.db2.gz	PUFHPNVLHRSWBL-CZUORRHYSA-N	-1	0	360.458	2.257	20	10		FECDRM
Cc1ccc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cn1	ZINC000830288391	603030269	/nfs/dbraw/zinc/03/02/69/603030269.db2.gz	KISXKNWEAKCURO-QGZVFWFLSA-N	-1	0	356.426	2.124	20	10		FECDRM
COc1ccccc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829585949	603033651	/nfs/dbraw/zinc/03/36/51/603033651.db2.gz	NDOVJTFCHDCFGE-MRXNPFEDSA-N	-1	0	357.410	2.500	20	10		FECDRM
COCc1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)o1	ZINC000829040566	603034934	/nfs/dbraw/zinc/03/49/34/603034934.db2.gz	OSAQUQZGBPQQJL-OAHLLOKOSA-N	-1	0	361.398	2.231	20	10		FECDRM
COCCN(CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(=O)[O-]	ZINC000739817247	603112026	/nfs/dbraw/zinc/11/20/26/603112026.db2.gz	DIXZPBZPRLJZQJ-UHFFFAOYSA-N	-1	0	363.458	2.166	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000739925533	603127505	/nfs/dbraw/zinc/12/75/05/603127505.db2.gz	OZLZBYNHNVQCBO-BHDSKKPTSA-N	-1	0	352.387	2.081	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CCC[C@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647562	603205573	/nfs/dbraw/zinc/20/55/73/603205573.db2.gz	QHSGVTUTHZWOMO-CFNZNRNTSA-N	-1	0	363.370	2.360	20	10		FECDRM
C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825082912	603522241	/nfs/dbraw/zinc/52/22/41/603522241.db2.gz	OXBYRPACAOCPNI-NUEKZKHPSA-N	-1	0	361.442	2.137	20	10		FECDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000824863154	604104424	/nfs/dbraw/zinc/10/44/24/604104424.db2.gz	SOZRRSCLKVPYRV-CYBMUJFWSA-N	-1	0	351.472	2.102	20	10		FECDRM
O=C([O-])NC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	ZINC000832155674	604476063	/nfs/dbraw/zinc/47/60/63/604476063.db2.gz	MEWDPNUTZFZPSH-LLVKDONJSA-N	-1	0	369.368	2.173	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1F	ZINC000739414452	604599881	/nfs/dbraw/zinc/59/98/81/604599881.db2.gz	MKDIPXNUERJNIQ-CYBMUJFWSA-N	-1	0	352.410	2.223	20	10		FECDRM
Cc1cc(C(=O)CN2CC[C@@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832859036	604767851	/nfs/dbraw/zinc/76/78/51/604767851.db2.gz	NWTZKLNOAIOGAL-OAHLLOKOSA-N	-1	0	356.422	2.289	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000833733152	605033663	/nfs/dbraw/zinc/03/36/63/605033663.db2.gz	AEMHRNQAFALWPW-VIFPVBQESA-N	-1	0	369.370	2.278	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000827052809	605269102	/nfs/dbraw/zinc/26/91/02/605269102.db2.gz	YFCKVCJIEFCTPM-QGZVFWFLSA-N	-1	0	363.458	2.308	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccsc3C(=O)[O-])ccc21	ZINC000833697543	605464550	/nfs/dbraw/zinc/46/45/50/605464550.db2.gz	NHIVYOFFRLBMJZ-UHFFFAOYSA-N	-1	0	373.434	2.084	20	10		FECDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000825823592	605554348	/nfs/dbraw/zinc/55/43/48/605554348.db2.gz	NSAGZDLHSHLPMA-ZBFHGGJFSA-N	-1	0	358.442	2.393	20	10		FECDRM
Cn1ccc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2c1=O	ZINC000560009391	674563561	/nfs/dbraw/zinc/56/35/61/674563561.db2.gz	JRBOCQBZMOAUQD-UHFFFAOYSA-N	-1	0	372.431	2.344	20	10		FECDRM
COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000811696793	674620882	/nfs/dbraw/zinc/62/08/82/674620882.db2.gz	QHANCPUHRGIFNS-UHFFFAOYSA-N	-1	0	363.391	2.111	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@]12CCC(=O)N1CCS2	ZINC000813685327	674769401	/nfs/dbraw/zinc/76/94/01/674769401.db2.gz	GJKBMOUDCMABGS-CQSZACIVSA-N	-1	0	361.250	2.381	20	10		FECDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1	ZINC000023398102	670048338	/nfs/dbraw/zinc/04/83/38/670048338.db2.gz	HVJUGOAMNAISRY-UHFFFAOYSA-N	-1	0	362.379	2.137	20	10		FECDRM
CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093416931	670753282	/nfs/dbraw/zinc/75/32/82/670753282.db2.gz	MQYRPFFGKTVRBL-VIFPVBQESA-N	-1	0	350.824	2.209	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000184885766	672510282	/nfs/dbraw/zinc/51/02/82/672510282.db2.gz	BUMFKOIQCNVBHS-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
COCc1nc([C@H]2COCCN2Cc2cc(Cl)c(C)cc2O)no1	ZINC000825461823	675654155	/nfs/dbraw/zinc/65/41/55/675654155.db2.gz	ORAMBUXNFRHLMO-CYBMUJFWSA-N	-1	0	353.806	2.457	20	10		FECDRM
Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc3nonc32)no1	ZINC000765051557	680829039	/nfs/dbraw/zinc/82/90/39/680829039.db2.gz	CEHVEKKEUHUJKR-UHFFFAOYSA-N	-1	0	357.351	2.382	20	10		FECDRM
CCCN(Cc1ccccc1O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000831068613	679915651	/nfs/dbraw/zinc/91/56/51/679915651.db2.gz	ZUOLNVWKDIWDRB-UHFFFAOYSA-N	-1	0	350.415	2.195	20	10		FECDRM
Cc1cc(CC(=O)NCc2n[nH]c(=O)[n-]2)c(C)n1-c1ccc(Cl)cc1	ZINC000748417042	679961540	/nfs/dbraw/zinc/96/15/40/679961540.db2.gz	BSZWFPBORBQPGZ-UHFFFAOYSA-N	-1	0	359.817	2.430	20	10		FECDRM
COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1NC(C)=O	ZINC000753020343	680271153	/nfs/dbraw/zinc/27/11/53/680271153.db2.gz	QTOGFSSXHWLSSJ-UHFFFAOYSA-N	-1	0	372.349	2.438	20	10		FECDRM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000754863672	680385163	/nfs/dbraw/zinc/38/51/63/680385163.db2.gz	TWFIBCBWTKOCME-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
O=C([O-])CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1	ZINC000843042061	680984391	/nfs/dbraw/zinc/98/43/91/680984391.db2.gz	YSAGYWSKUQEJLS-UHFFFAOYSA-N	-1	0	358.778	2.410	20	10		FECDRM
Cn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(-c2ccccc2)n1	ZINC000771519420	681058113	/nfs/dbraw/zinc/05/81/13/681058113.db2.gz	DMYPFECXBVSKKZ-KPKJPENVSA-N	-1	0	359.432	2.373	20	10		FECDRM
C[C@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000844782532	681082078	/nfs/dbraw/zinc/08/20/78/681082078.db2.gz	BLJOJIRIGHJGMY-LLVKDONJSA-N	-1	0	357.428	2.427	20	10		FECDRM
Cn1c(=O)sc2cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)ccc21	ZINC000773140202	681127206	/nfs/dbraw/zinc/12/72/06/681127206.db2.gz	PUWOBTOZIUMLOA-UKTHLTGXSA-N	-1	0	351.387	2.061	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000775286698	681292320	/nfs/dbraw/zinc/29/23/20/681292320.db2.gz	MJTUOBFDAZUVGQ-UHFFFAOYSA-N	-1	0	372.380	2.258	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000775286936	681292472	/nfs/dbraw/zinc/29/24/72/681292472.db2.gz	QYZRWDDPAIWFSZ-UHFFFAOYSA-N	-1	0	370.314	2.027	20	10		FECDRM
COCCCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000775644186	681320650	/nfs/dbraw/zinc/32/06/50/681320650.db2.gz	GAQSJOUBKCGBEZ-ZDUSSCGKSA-N	-1	0	365.854	2.210	20	10		FECDRM
CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000776434919	681391617	/nfs/dbraw/zinc/39/16/17/681391617.db2.gz	QNIGVUVPFRJNEK-UHFFFAOYSA-N	-1	0	365.363	2.068	20	10		FECDRM
C[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccc(N2CCOCC2)cc1	ZINC000849372220	681699030	/nfs/dbraw/zinc/69/90/30/681699030.db2.gz	IVXBBMCSBONHMD-CQSZACIVSA-N	-1	0	362.451	2.268	20	10		FECDRM
CC(C)[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000780444690	681828541	/nfs/dbraw/zinc/82/85/41/681828541.db2.gz	VOQOPEUSNRAVSF-OAHLLOKOSA-N	-1	0	351.472	2.148	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)cc1	ZINC000853010557	682363174	/nfs/dbraw/zinc/36/31/74/682363174.db2.gz	FRQAQCHWQLVZMH-SJORKVTESA-N	-1	0	372.824	2.407	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H]2CCC(F)(F)C2)cc1	ZINC000853008374	682363427	/nfs/dbraw/zinc/36/34/27/682363427.db2.gz	OZBWABBFEVNLHL-GFCCVEGCSA-N	-1	0	356.369	2.138	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000789951987	682640253	/nfs/dbraw/zinc/64/02/53/682640253.db2.gz	NHUQFGHBQCGOST-AWEZNQCLSA-N	-1	0	359.392	2.380	20	10		FECDRM
O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1c(F)ccc(O)c1[O-]	ZINC000789970651	682641840	/nfs/dbraw/zinc/64/18/40/682641840.db2.gz	FOSUKYWIBNNRNH-UHFFFAOYSA-N	-1	0	350.321	2.465	20	10		FECDRM
CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc4nonc43)cccc21	ZINC000790348788	682669319	/nfs/dbraw/zinc/66/93/19/682669319.db2.gz	PMBWZZXOVNQPKP-ZDUSSCGKSA-N	-1	0	361.379	2.494	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(CC)nn(C)c1CC	ZINC000790409641	682674354	/nfs/dbraw/zinc/67/43/54/682674354.db2.gz	SPGKCONZTSOWMX-UHFFFAOYSA-N	-1	0	353.444	2.450	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(F)c1	ZINC000794596817	682982396	/nfs/dbraw/zinc/98/23/96/682982396.db2.gz	PVZFOTZGCKBQHY-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
C[C@H](NC(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000929046497	683539590	/nfs/dbraw/zinc/53/95/90/683539590.db2.gz	WCLVTOPYUOZXBY-XHDPSFHLSA-N	-1	0	362.455	2.265	20	10		FECDRM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccccc1O	ZINC000867836136	684405322	/nfs/dbraw/zinc/40/53/22/684405322.db2.gz	HAAAHWCTHJYTGS-JOYOIKCWSA-N	-1	0	369.361	2.257	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(C(F)F)CC2)cc1	ZINC000872990475	685044707	/nfs/dbraw/zinc/04/47/07/685044707.db2.gz	KZYNTGGTSJRTEP-UHFFFAOYSA-N	-1	0	356.369	2.090	20	10		FECDRM
C[C@@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)n1cccn1	ZINC000911360239	685203079	/nfs/dbraw/zinc/20/30/79/685203079.db2.gz	PSEJPRPGUGFZBU-NSHDSACASA-N	-1	0	351.790	2.307	20	10		FECDRM
Cc1nccn1CCCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360634	685203189	/nfs/dbraw/zinc/20/31/89/685203189.db2.gz	XHWZEJPLYIOSJB-UHFFFAOYSA-N	-1	0	365.817	2.444	20	10		FECDRM
O=C1N[C@H](c2cc(Cl)cc(Br)c2[O-])N2CCSC[C@@H]12	ZINC000887329339	688406872	/nfs/dbraw/zinc/40/68/72/688406872.db2.gz	FFUDTRWINGVOSL-ONGXEEELSA-N	-1	0	363.664	2.354	20	10		FECDRM
C[C@@H]1CO[C@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000894095073	689466075	/nfs/dbraw/zinc/46/60/75/689466075.db2.gz	PKXNXJMTCLPZIO-KCJUWKMLSA-N	-1	0	350.640	2.390	20	10		FECDRM
[O-]c1c(Br)cc(Cl)cc1CN1CCC(O)(CO)CC1	ZINC000895259283	689686214	/nfs/dbraw/zinc/68/62/14/689686214.db2.gz	KLURDPGDHGVISK-UHFFFAOYSA-N	-1	0	350.640	2.127	20	10		FECDRM
O=C([O-])c1cc(/C=C2\SC(N3CCOCC3)=NC2=O)sc1Cl	ZINC000899344666	690339185	/nfs/dbraw/zinc/33/91/85/690339185.db2.gz	VFEBRJXHQZDKGR-TWGQIWQCSA-N	-1	0	358.828	2.402	20	10		FECDRM
CC1(C)COc2c(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)cnn2C1	ZINC000901909489	690712476	/nfs/dbraw/zinc/71/24/76/690712476.db2.gz	RSTLQEVHAGZZDE-UHFFFAOYSA-N	-1	0	357.819	2.462	20	10		FECDRM
C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000780478059	939126620	/nfs/dbraw/zinc/12/66/20/939126620.db2.gz	KRUAJFFAICYMMY-ORAYPTAESA-N	-1	0	361.442	2.137	20	10		FECDRM
C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000780478057	939126894	/nfs/dbraw/zinc/12/68/94/939126894.db2.gz	KRUAJFFAICYMMY-BFUOFWGJSA-N	-1	0	361.442	2.137	20	10		FECDRM
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc21	ZINC000019105098	539651355	/nfs/dbraw/zinc/65/13/55/539651355.db2.gz	FUTYPOQLEOZGEM-UHFFFAOYSA-N	-1	0	374.447	2.401	20	10		FECDRM
CCOc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1CO	ZINC000054041009	540565673	/nfs/dbraw/zinc/56/56/73/540565673.db2.gz	HTFBXHPRSDYNHX-UHFFFAOYSA-N	-1	0	365.436	2.383	20	10		FECDRM
CCOCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000267022546	550026402	/nfs/dbraw/zinc/02/64/02/550026402.db2.gz	BULHZSXABBWEAP-UHFFFAOYSA-N	-1	0	370.452	2.021	20	10		FECDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000277077217	550629454	/nfs/dbraw/zinc/62/94/54/550629454.db2.gz	LXKSGMJRMFCOTP-UHFFFAOYSA-N	-1	0	357.376	2.360	20	10		FECDRM
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000277568023	550685572	/nfs/dbraw/zinc/68/55/72/550685572.db2.gz	DUBVQKZVNPRXNA-LBPRGKRZSA-N	-1	0	367.427	2.138	20	10		FECDRM
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000284071060	551478575	/nfs/dbraw/zinc/47/85/75/551478575.db2.gz	ZBVZBIOBULCIPJ-UHFFFAOYSA-N	-1	0	361.370	2.442	20	10		FECDRM
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000294845428	552938466	/nfs/dbraw/zinc/93/84/66/552938466.db2.gz	ZMROXBIMIBEDRW-LLVKDONJSA-N	-1	0	350.843	2.041	20	10		FECDRM
C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000820924313	598219803	/nfs/dbraw/zinc/21/98/03/598219803.db2.gz	JMJBYSLXUIRDLR-YFKPBYRVSA-N	-1	0	353.010	2.480	20	10		FECDRM
CNC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807840626	674431388	/nfs/dbraw/zinc/43/13/88/674431388.db2.gz	GSJSWXKHEVIEOK-UHFFFAOYSA-N	-1	0	354.193	2.384	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000737476245	599880842	/nfs/dbraw/zinc/88/08/42/599880842.db2.gz	HQFITWOBDSGGJD-UHFFFAOYSA-N	-1	0	354.406	2.494	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1	ZINC000737379891	599940598	/nfs/dbraw/zinc/94/05/98/599940598.db2.gz	ZYXHVGYOVNPFRK-UHFFFAOYSA-N	-1	0	357.410	2.329	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)c1	ZINC000738041930	600128879	/nfs/dbraw/zinc/12/88/79/600128879.db2.gz	PKZDIIDYJRWHCA-LLVKDONJSA-N	-1	0	372.377	2.223	20	10		FECDRM
Cc1cc(C(=O)Cn2nc(C(=O)[O-])ccc2=O)c(C)n1-c1cccc(F)c1	ZINC000738320896	600519139	/nfs/dbraw/zinc/51/91/39/600519139.db2.gz	VLDGBYKEZHBBIJ-UHFFFAOYSA-N	-1	0	369.352	2.371	20	10		FECDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000833184068	600897244	/nfs/dbraw/zinc/89/72/44/600897244.db2.gz	NDGDJKNMOVLWPJ-LSDHHAIUSA-N	-1	0	364.417	2.170	20	10		FECDRM
CC(C)N(CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000738961476	601913617	/nfs/dbraw/zinc/91/36/17/601913617.db2.gz	RANRAXPJRJRRTR-OAHLLOKOSA-N	-1	0	363.458	2.479	20	10		FECDRM
Cn1cc([C@]2(C)CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833043261	602139516	/nfs/dbraw/zinc/13/95/16/602139516.db2.gz	KDSPPFFZQNUHNJ-SUZKBHRPSA-N	-1	0	372.381	2.178	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1F	ZINC000739643023	602148939	/nfs/dbraw/zinc/14/89/39/602148939.db2.gz	PRYUTJUILQSLFV-AWEZNQCLSA-N	-1	0	366.437	2.423	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1F	ZINC000739650896	602626376	/nfs/dbraw/zinc/62/63/76/602626376.db2.gz	RQOUYXOVGADCNL-ZDUSSCGKSA-N	-1	0	352.410	2.033	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2Cc1cc(=O)n2ccsc2n1	ZINC000740673457	602649013	/nfs/dbraw/zinc/64/90/13/602649013.db2.gz	DFNZNRRJHOFARM-UHFFFAOYSA-N	-1	0	370.434	2.476	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1NC(=O)[O-]	ZINC000739141594	602936381	/nfs/dbraw/zinc/93/63/81/602936381.db2.gz	PUFHPNVLHRSWBL-CJNGLKHVSA-N	-1	0	360.458	2.257	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H](C)N1C(=O)[O-]	ZINC000739136871	602961293	/nfs/dbraw/zinc/96/12/93/602961293.db2.gz	GFXHZBBWYZFRCS-VXGBXAGGSA-N	-1	0	352.410	2.174	20	10		FECDRM
CCn1nc(C)c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1C	ZINC000827717627	603024950	/nfs/dbraw/zinc/02/49/50/603024950.db2.gz	OVYCGILLFRPMSM-MRXNPFEDSA-N	-1	0	373.457	2.325	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccnc2)NC(=O)[O-])cc1	ZINC000828063529	603034090	/nfs/dbraw/zinc/03/40/90/603034090.db2.gz	GLXVSMIWROEXBE-JSNVTFDYSA-N	-1	0	354.410	2.286	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCO3)NC(=O)[O-])cc1	ZINC000828064821	603034576	/nfs/dbraw/zinc/03/45/76/603034576.db2.gz	ZHIMNLBMTHKFMP-QGZVFWFLSA-N	-1	0	369.421	2.426	20	10		FECDRM
C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC(=O)[O-]	ZINC000824624418	603070276	/nfs/dbraw/zinc/07/02/76/603070276.db2.gz	ZYONTWSYRGFXBB-NWDGAFQWSA-N	-1	0	371.384	2.419	20	10		FECDRM
O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000832474223	603817278	/nfs/dbraw/zinc/81/72/78/603817278.db2.gz	HAJSSWCLBBCKQF-NVXWUHKLSA-N	-1	0	358.442	2.298	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCc3n[nH]cc32)NC(=O)[O-])cc1	ZINC000828055031	603993570	/nfs/dbraw/zinc/99/35/70/603993570.db2.gz	BUNFPYGQNVHTHZ-RHSMWYFYSA-N	-1	0	371.441	2.021	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])cc1F	ZINC000828205276	604079766	/nfs/dbraw/zinc/07/97/66/604079766.db2.gz	AVEACLGPNIXSMV-ZDUSSCGKSA-N	-1	0	352.410	2.176	20	10		FECDRM
O=C([O-])N1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1	ZINC000831681565	604335090	/nfs/dbraw/zinc/33/50/90/604335090.db2.gz	VECXMUTYSCUYHR-LLVKDONJSA-N	-1	0	358.489	2.315	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000833733151	605033633	/nfs/dbraw/zinc/03/36/33/605033633.db2.gz	AEMHRNQAFALWPW-SECBINFHSA-N	-1	0	369.370	2.278	20	10		FECDRM
CN(C)c1noc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000812220135	674657983	/nfs/dbraw/zinc/65/79/83/674657983.db2.gz	ANNRERUQXFDMGE-UHFFFAOYSA-N	-1	0	360.201	2.147	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000119972229	671913492	/nfs/dbraw/zinc/91/34/92/671913492.db2.gz	NINWMKBBKXMJDG-UHFFFAOYSA-N	-1	0	355.419	2.200	20	10		FECDRM
Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)sc1C(=O)[O-]	ZINC000184968506	672514377	/nfs/dbraw/zinc/51/43/77/672514377.db2.gz	DOGFEDQEUMXKLT-UHFFFAOYSA-N	-1	0	372.443	2.438	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1	ZINC000733720651	673435446	/nfs/dbraw/zinc/43/54/46/673435446.db2.gz	VAGCQFOAHZGXGX-HNNXBMFYSA-N	-1	0	366.414	2.082	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2sccc2C(=O)[O-])cc1	ZINC000830825277	677063464	/nfs/dbraw/zinc/06/34/64/677063464.db2.gz	NDXYHEBXGAPGEC-UHFFFAOYSA-N	-1	0	361.423	2.109	20	10		FECDRM
CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000763381204	680781710	/nfs/dbraw/zinc/78/17/10/680781710.db2.gz	JPVJNHJAJKZKET-UHFFFAOYSA-N	-1	0	361.379	2.129	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1C(=O)[O-]	ZINC000758772979	680606854	/nfs/dbraw/zinc/60/68/54/680606854.db2.gz	FNWDYPPPTYDYKE-UHFFFAOYSA-N	-1	0	365.363	2.102	20	10		FECDRM
Cn1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(-c2ccccc2)n1	ZINC000771519419	681057940	/nfs/dbraw/zinc/05/79/40/681057940.db2.gz	DMYPFECXBVSKKZ-GHXNOFRVSA-N	-1	0	359.432	2.373	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1	ZINC000775372760	681301815	/nfs/dbraw/zinc/30/18/15/681301815.db2.gz	IPJQVENRKOLQEK-LLVKDONJSA-N	-1	0	361.423	2.074	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(O[C@@H]3CCOC3)cc2)SC1=S	ZINC000849177143	681663915	/nfs/dbraw/zinc/66/39/15/681663915.db2.gz	ZPXMWIIRSYTNPE-GKWYLQRDSA-N	-1	0	365.432	2.140	20	10		FECDRM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(Cl)cc(F)c1[O-]	ZINC000780783586	681870815	/nfs/dbraw/zinc/87/08/15/681870815.db2.gz	HPLZJPYODYFCJU-TVQRCGJNSA-N	-1	0	359.781	2.111	20	10		FECDRM
O=C([O-])CCCN1C(=O)/C(=C/c2cnn(-c3ccccc3)n2)SC1=S	ZINC000916568990	685525568	/nfs/dbraw/zinc/52/55/68/685525568.db2.gz	UQVFAQCPHQZVGI-LCYFTJDESA-N	-1	0	374.447	2.333	20	10		FECDRM
C[C@@H](CO)COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785414430	682295756	/nfs/dbraw/zinc/29/57/56/682295756.db2.gz	WUGWLNHPPTVEKR-JTQLQIEISA-N	-1	0	371.436	2.040	20	10		FECDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1	ZINC000788489671	682533209	/nfs/dbraw/zinc/53/32/09/682533209.db2.gz	MVFPLIIPNBRBAL-UHFFFAOYSA-N	-1	0	354.409	2.097	20	10		FECDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c1	ZINC000788488562	682533267	/nfs/dbraw/zinc/53/32/67/682533267.db2.gz	ASKHMKXGLHOKLN-UHFFFAOYSA-N	-1	0	366.395	2.162	20	10		FECDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F	ZINC000790416420	682675186	/nfs/dbraw/zinc/67/51/86/682675186.db2.gz	XSVXPVWCDRAHRF-UHFFFAOYSA-N	-1	0	373.427	2.298	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c(F)c1	ZINC000790633268	682690073	/nfs/dbraw/zinc/69/00/73/682690073.db2.gz	BRHHAEHTCMZAGR-UHFFFAOYSA-N	-1	0	368.415	2.492	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c(C)n1-c1ccccc1C	ZINC000796882428	683203670	/nfs/dbraw/zinc/20/36/70/683203670.db2.gz	GWVPHPDXXMRIAU-UHFFFAOYSA-N	-1	0	358.423	2.244	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccc1O	ZINC000797820247	683276170	/nfs/dbraw/zinc/27/61/70/683276170.db2.gz	NIKIKROLTKIHAM-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
COc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1O	ZINC000797819994	683276466	/nfs/dbraw/zinc/27/64/66/683276466.db2.gz	AFPXQBGZDXOCQC-UHFFFAOYSA-N	-1	0	351.380	2.219	20	10		FECDRM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1ccccc1O	ZINC000867834367	684404819	/nfs/dbraw/zinc/40/48/19/684404819.db2.gz	HAAAHWCTHJYTGS-SKDRFNHKSA-N	-1	0	369.361	2.257	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)[C@@H](C)CCSC)cc1	ZINC000872990829	685044440	/nfs/dbraw/zinc/04/44/40/685044440.db2.gz	PKARKKQWVPEABY-ZDUSSCGKSA-N	-1	0	354.472	2.186	20	10		FECDRM
CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360807	685202965	/nfs/dbraw/zinc/20/29/65/685202965.db2.gz	XZYKSZSNBUKFDV-AWEZNQCLSA-N	-1	0	354.834	2.332	20	10		FECDRM
Cn1cnc(-c2nnc3n2CCN(Cc2cc(Cl)c(F)cc2[O-])C3)c1	ZINC000877739726	686448130	/nfs/dbraw/zinc/44/81/30/686448130.db2.gz	HPDWPDIIXMHMBP-UHFFFAOYSA-N	-1	0	362.796	2.193	20	10		FECDRM
C[C@@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000881480479	687137335	/nfs/dbraw/zinc/13/73/35/687137335.db2.gz	VGWRNKVGGSTIAB-SNVBAGLBSA-N	-1	0	352.437	2.489	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2(C)CC(F)(F)C2)cc1	ZINC000887312361	688404660	/nfs/dbraw/zinc/40/46/60/688404660.db2.gz	ONCMUCJQRAJGFG-UHFFFAOYSA-N	-1	0	356.369	2.138	20	10		FECDRM
C[C@@H]1[C@H](C)N(Cc2cc(Br)cc(F)c2[O-])CCS1(=O)=O	ZINC000894038757	689454568	/nfs/dbraw/zinc/45/45/68/689454568.db2.gz	FSXQNHSPKKRSHD-DTWKUNHWSA-N	-1	0	366.252	2.301	20	10		FECDRM
O=C(C1CC1)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000894682951	689577928	/nfs/dbraw/zinc/57/79/28/689577928.db2.gz	HEPVOTUTXOHFBU-ZDUSSCGKSA-N	-1	0	358.207	2.474	20	10		FECDRM
CONC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000895471071	689722103	/nfs/dbraw/zinc/72/21/03/689722103.db2.gz	QADJTULBUZUISV-UHFFFAOYSA-N	-1	0	361.211	2.183	20	10		FECDRM
CC(=O)c1cn(C2CN(Cc3cccc(Br)c3[O-])C2)nn1	ZINC000897937109	690104205	/nfs/dbraw/zinc/10/42/05/690104205.db2.gz	HTGHZUVTLNXSNN-UHFFFAOYSA-N	-1	0	351.204	2.006	20	10		FECDRM
O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCC1	ZINC000852943139	939238223	/nfs/dbraw/zinc/23/82/23/939238223.db2.gz	QHMDUXJFIPDIKU-LJQANCHMSA-N	-1	0	374.481	2.403	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C(=O)[O-])C3CC3)cc2F)C[C@H](C)O1	ZINC000852952707	939241234	/nfs/dbraw/zinc/24/12/34/939241234.db2.gz	PJPRYHBSUZTWGV-BWACUDIHSA-N	-1	0	364.417	2.166	20	10		FECDRM
O=C([O-])[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1	ZINC000852957247	939241435	/nfs/dbraw/zinc/24/14/35/939241435.db2.gz	QBYHXIHJNMSWPE-SFHVURJKSA-N	-1	0	360.454	2.155	20	10		FECDRM
Cc1ccc(-n2[n-]nnc2=NCc2cc(Br)ccc2O)cc1	ZINC000804827973	674302641	/nfs/dbraw/zinc/30/26/41/674302641.db2.gz	GHIGBSVXVFYHBC-UHFFFAOYSA-N	-1	0	360.215	2.473	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NCC1(N2CCOCC2)CC1	ZINC000805363452	674333196	/nfs/dbraw/zinc/33/31/96/674333196.db2.gz	ASJMAJGOUUFMNQ-UHFFFAOYSA-N	-1	0	374.268	2.363	20	10		FECDRM
COCC[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-]	ZINC000262297605	549808029	/nfs/dbraw/zinc/80/80/29/549808029.db2.gz	MSXZVEHUDLHDQI-KRWDZBQOSA-N	-1	0	360.410	2.322	20	10		FECDRM
CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC000276508239	550578710	/nfs/dbraw/zinc/57/87/10/550578710.db2.gz	AUJPFFKGEKHSAS-SECBINFHSA-N	-1	0	366.418	2.157	20	10		FECDRM
C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@H](C)O1	ZINC000276574998	550579097	/nfs/dbraw/zinc/57/90/97/550579097.db2.gz	KXRUDTXMSYRIKT-BETUJISGSA-N	-1	0	366.433	2.198	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)o1	ZINC000290602321	552505336	/nfs/dbraw/zinc/50/53/36/552505336.db2.gz	YZZBBELKSKHUOJ-UHFFFAOYSA-N	-1	0	369.395	2.498	20	10		FECDRM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(Cl)c(F)cc1[O-]	ZINC000293662606	552844880	/nfs/dbraw/zinc/84/48/80/552844880.db2.gz	PRHINPVUCFUPQZ-TVQRCGJNSA-N	-1	0	359.781	2.111	20	10		FECDRM
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000365680783	555639473	/nfs/dbraw/zinc/63/94/73/555639473.db2.gz	SANTYQUPGOGIKZ-QLJPJBMISA-N	-1	0	362.407	2.016	20	10		FECDRM
O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2	ZINC000366936545	555975532	/nfs/dbraw/zinc/97/55/32/555975532.db2.gz	OJJKPYPOYOCACR-JTYPSPSMSA-N	-1	0	370.449	2.250	20	10		FECDRM
O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2	ZINC000366936544	555975558	/nfs/dbraw/zinc/97/55/58/555975558.db2.gz	OJJKPYPOYOCACR-CGWZYXLISA-N	-1	0	370.449	2.250	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C[C@H]1CCOc2ccccc21	ZINC000372304423	557434735	/nfs/dbraw/zinc/43/47/35/557434735.db2.gz	DSYFWGBQULUAAM-YPMHNXCESA-N	-1	0	351.424	2.470	20	10		FECDRM
CC(C)NS(=O)(=O)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000372812291	557567010	/nfs/dbraw/zinc/56/70/10/557567010.db2.gz	AVPOAINDVWPUEJ-JTQLQIEISA-N	-1	0	350.843	2.087	20	10		FECDRM
CCN1C(=O)[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN2C1=O	ZINC000378371236	558542287	/nfs/dbraw/zinc/54/22/87/558542287.db2.gz	ODXLLSIEPANXBC-GFCCVEGCSA-N	-1	0	358.225	2.167	20	10		FECDRM
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21	ZINC000391776051	558614623	/nfs/dbraw/zinc/61/46/23/558614623.db2.gz	SQJMQZRPHCBSHW-SNVBAGLBSA-N	-1	0	361.404	2.068	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(F)cn1	ZINC000807513185	674418290	/nfs/dbraw/zinc/41/82/90/674418290.db2.gz	JFQWWNJXVXJSAZ-UHFFFAOYSA-N	-1	0	358.156	2.488	20	10		FECDRM
Cc1nn(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1C	ZINC000807511543	674418295	/nfs/dbraw/zinc/41/82/95/674418295.db2.gz	ONIRSGZPBKUJMH-UHFFFAOYSA-N	-1	0	371.224	2.304	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000820602071	598159070	/nfs/dbraw/zinc/15/90/70/598159070.db2.gz	CDIBASKOOZYBLV-UHFFFAOYSA-N	-1	0	370.405	2.266	20	10		FECDRM
COCC(=O)N[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000807837442	674431251	/nfs/dbraw/zinc/43/12/51/674431251.db2.gz	QDIREJRXIGXCRR-ZDUSSCGKSA-N	-1	0	363.241	2.102	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1C	ZINC000738319667	599967964	/nfs/dbraw/zinc/96/79/64/599967964.db2.gz	GZWXBRACXVQMDP-IBGZPJMESA-N	-1	0	356.422	2.371	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1	ZINC000738203297	599974224	/nfs/dbraw/zinc/97/42/24/599974224.db2.gz	LWJXTIIABDUFMD-SFHVURJKSA-N	-1	0	360.385	2.201	20	10		FECDRM
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1C(=O)[O-]	ZINC000738415346	600050321	/nfs/dbraw/zinc/05/03/21/600050321.db2.gz	KXSVBUOATXKNOK-UHFFFAOYSA-N	-1	0	373.384	2.153	20	10		FECDRM
CNC(=O)CCN(C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C	ZINC000737536353	600100754	/nfs/dbraw/zinc/10/07/54/600100754.db2.gz	LEPIQDSNKBKYOQ-UHFFFAOYSA-N	-1	0	371.437	2.043	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000738402648	600202673	/nfs/dbraw/zinc/20/26/73/600202673.db2.gz	ZFHOPOPBKAMANE-UHFFFAOYSA-N	-1	0	369.421	2.323	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])c1	ZINC000739625813	600214440	/nfs/dbraw/zinc/21/44/40/600214440.db2.gz	RKXKRCIKWHWUNC-ALCCZGGFSA-N	-1	0	369.381	2.199	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000737596855	600283036	/nfs/dbraw/zinc/28/30/36/600283036.db2.gz	HPOXMEPSLKMOOH-LQPUYASZSA-N	-1	0	360.366	2.472	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000830643036	600988348	/nfs/dbraw/zinc/98/83/48/600988348.db2.gz	AYTTWGPVJDEMSB-UHFFFAOYSA-N	-1	0	362.407	2.039	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000737476587	601126265	/nfs/dbraw/zinc/12/62/65/601126265.db2.gz	KWAGUFNCFBHGLW-DLBZAZTESA-N	-1	0	360.454	2.373	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC000184885813	601567934	/nfs/dbraw/zinc/56/79/34/601567934.db2.gz	RTFOWXHSCKIWRO-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(C(=O)[O-])CC2)c1	ZINC000739924554	602419481	/nfs/dbraw/zinc/41/94/81/602419481.db2.gz	BKOIIJBBUJPZMJ-NSHDSACASA-N	-1	0	351.403	2.151	20	10		FECDRM
O=C([O-])N1CCC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000738640991	602435509	/nfs/dbraw/zinc/43/55/09/602435509.db2.gz	LGAJXEWGFRATHC-HOTGVXAUSA-N	-1	0	362.426	2.290	20	10		FECDRM
C[C@H](NC(=O)[C@H]1CCCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000739022153	602506469	/nfs/dbraw/zinc/50/64/69/602506469.db2.gz	SUYTWOWAYZFKLU-WMLDXEAASA-N	-1	0	361.442	2.233	20	10		FECDRM
CN(C(=O)[O-])C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000737928144	602837092	/nfs/dbraw/zinc/83/70/92/602837092.db2.gz	AQBLLBUIWWGPQO-UHFFFAOYSA-N	-1	0	358.442	2.347	20	10		FECDRM
O=C([O-])N1CCCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740446368	602840017	/nfs/dbraw/zinc/84/00/17/602840017.db2.gz	DNYUWMYYOPZYFQ-MRXNPFEDSA-N	-1	0	358.442	2.395	20	10		FECDRM
Cc1nc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cs1	ZINC000830737778	603025393	/nfs/dbraw/zinc/02/53/93/603025393.db2.gz	MLACCWNUKHNMBY-OAHLLOKOSA-N	-1	0	362.455	2.185	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2noc3c2CCCC3)NC(=O)[O-])cc1	ZINC000828064130	603025625	/nfs/dbraw/zinc/02/56/25/603025625.db2.gz	LVWGECIDTNQFSY-HNNXBMFYSA-N	-1	0	372.425	2.358	20	10		FECDRM
CC(C)(CC(=O)NCc1ccc(N2CCSCC2)cc1)NC(=O)[O-]	ZINC000738736063	603026131	/nfs/dbraw/zinc/02/61/31/603026131.db2.gz	ZAPYEQACRUWXSH-UHFFFAOYSA-N	-1	0	351.472	2.292	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc[nH]c2=S)NC(=O)[O-])cc1	ZINC000828064807	603031435	/nfs/dbraw/zinc/03/14/35/603031435.db2.gz	YZTDPQUHCAFKBV-AWEZNQCLSA-N	-1	0	360.439	2.175	20	10		FECDRM
Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(C)n1C	ZINC000829944805	603034721	/nfs/dbraw/zinc/03/47/21/603034721.db2.gz	GBAIAMAHSWLAHR-QGZVFWFLSA-N	-1	0	358.442	2.447	20	10		FECDRM
Cc1n[nH]c(C)c1CCC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830672815	603035410	/nfs/dbraw/zinc/03/54/10/603035410.db2.gz	OINSAFKBZQKLGM-KRWDZBQOSA-N	-1	0	373.457	2.150	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1	ZINC000739616478	603384266	/nfs/dbraw/zinc/38/42/66/603384266.db2.gz	DFHWUVPVLNZGAK-UHFFFAOYSA-N	-1	0	356.382	2.097	20	10		FECDRM
O=C([O-])N1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1	ZINC000831753254	603524027	/nfs/dbraw/zinc/52/40/27/603524027.db2.gz	SHAHKOIAPONSRL-LBPRGKRZSA-N	-1	0	351.366	2.335	20	10		FECDRM
O=C([O-])N[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000832240721	603585849	/nfs/dbraw/zinc/58/58/49/603585849.db2.gz	YCDZZDPYEXYQKA-NUEKZKHPSA-N	-1	0	362.426	2.336	20	10		FECDRM
O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000832474225	603817488	/nfs/dbraw/zinc/81/74/88/603817488.db2.gz	HAJSSWCLBBCKQF-WBVHZDCISA-N	-1	0	358.442	2.298	20	10		FECDRM
CSCC[C@@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000829733507	603930274	/nfs/dbraw/zinc/93/02/74/603930274.db2.gz	ZPUGDPXXROWFID-CQSZACIVSA-N	-1	0	352.456	2.277	20	10		FECDRM
CC(C)S(=O)(=O)CCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000824431231	604127364	/nfs/dbraw/zinc/12/73/64/604127364.db2.gz	JRPKAKHETBAFLE-UHFFFAOYSA-N	-1	0	354.472	2.420	20	10		FECDRM
CN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)c1ccc2c(c1)OCO2	ZINC000833692524	604621239	/nfs/dbraw/zinc/62/12/39/604621239.db2.gz	REOIPAXGEYABIX-UHFFFAOYSA-N	-1	0	357.366	2.258	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)CN[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000820602125	604945889	/nfs/dbraw/zinc/94/58/89/604945889.db2.gz	GYVIKACHTKSNPJ-IBGZPJMESA-N	-1	0	355.438	2.127	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3ccccc3C(=O)[O-])ccc21	ZINC000833697701	605023087	/nfs/dbraw/zinc/02/30/87/605023087.db2.gz	OPHCCBXXRRZXHR-UHFFFAOYSA-N	-1	0	360.435	2.246	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccccc2C(=O)[O-])c1	ZINC000833733839	605034140	/nfs/dbraw/zinc/03/41/40/605034140.db2.gz	SHJKCUGJMUSXNN-JTQLQIEISA-N	-1	0	351.380	2.139	20	10		FECDRM
C[N@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-]	ZINC000820568908	605231149	/nfs/dbraw/zinc/23/11/49/605231149.db2.gz	GPWSDCZSNYWAIY-UHFFFAOYSA-N	-1	0	353.010	2.434	20	10		FECDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833536911	605282176	/nfs/dbraw/zinc/28/21/76/605282176.db2.gz	UYTDKGHWMVCDSG-RISCZKNCSA-N	-1	0	371.817	2.043	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C[C@@H]3CSCCN3C(=O)[O-])ccc21	ZINC000828488727	605630059	/nfs/dbraw/zinc/63/00/59/605630059.db2.gz	OYKZPKVYEYKWGU-OAHLLOKOSA-N	-1	0	363.483	2.171	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)CCCN1C(=O)[O-]	ZINC000833874198	605677733	/nfs/dbraw/zinc/67/77/33/605677733.db2.gz	CZIXUZJVOPXWAZ-IBGZPJMESA-N	-1	0	361.442	2.014	20	10		FECDRM
O=C([O-])NC[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000834214151	605970299	/nfs/dbraw/zinc/97/02/99/605970299.db2.gz	FILGYVKJSIKUGH-QGZVFWFLSA-N	-1	0	358.442	2.395	20	10		FECDRM
CS(=O)(=O)NC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-]	ZINC000816487047	675059126	/nfs/dbraw/zinc/05/91/26/675059126.db2.gz	BSKQOYCQDLUTSG-LLVKDONJSA-N	-1	0	350.843	2.088	20	10		FECDRM
O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000161336631	672296632	/nfs/dbraw/zinc/29/66/32/672296632.db2.gz	OSMNJSQTFSIYIT-UHFFFAOYSA-N	-1	0	358.379	2.150	20	10		FECDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000324651331	673047158	/nfs/dbraw/zinc/04/71/58/673047158.db2.gz	ZRYQDSNXPOOHIQ-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCSc1nccs1	ZINC000733879466	673442149	/nfs/dbraw/zinc/44/21/49/673442149.db2.gz	OPOJWISNQXVMII-UHFFFAOYSA-N	-1	0	371.509	2.427	20	10		FECDRM
C[C@](O)(C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1)C(F)(F)F	ZINC000828647750	675835461	/nfs/dbraw/zinc/83/54/61/675835461.db2.gz	IVYVUVHXHOLENJ-AWEZNQCLSA-N	-1	0	351.296	2.402	20	10		FECDRM
Cc1ccc(F)c(NS(=O)(=O)c2cccc3nonc32)c1C(=O)[O-]	ZINC000761283450	680717928	/nfs/dbraw/zinc/71/79/28/680717928.db2.gz	TZDPHOSSLKQJND-UHFFFAOYSA-N	-1	0	351.315	2.169	20	10		FECDRM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(O)cc1COC	ZINC000840917644	680853042	/nfs/dbraw/zinc/85/30/42/680853042.db2.gz	LNICKMBUOUUUJS-UHFFFAOYSA-N	-1	0	369.395	2.281	20	10		FECDRM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047048	680864286	/nfs/dbraw/zinc/86/42/86/680864286.db2.gz	CPQWEQHVUMWDBM-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H](C)S(C)(=O)=O	ZINC000841436308	680881706	/nfs/dbraw/zinc/88/17/06/680881706.db2.gz	OTICAIDWOWCYRP-YUMQZZPRSA-N	-1	0	354.255	2.384	20	10		FECDRM
C[C@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844782700	681082094	/nfs/dbraw/zinc/08/20/94/681082094.db2.gz	FKIQGRHBYHJRQB-LLVKDONJSA-N	-1	0	357.428	2.427	20	10		FECDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	ZINC000773983531	681163423	/nfs/dbraw/zinc/16/34/23/681163423.db2.gz	ZLARVGGQLOUNTB-JTQLQIEISA-N	-1	0	352.412	2.392	20	10		FECDRM
COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000779191454	681687295	/nfs/dbraw/zinc/68/72/95/681687295.db2.gz	RFFOZGCAQLKORW-UHFFFAOYSA-N	-1	0	371.821	2.023	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1	ZINC000779461078	681718069	/nfs/dbraw/zinc/71/80/69/681718069.db2.gz	USGVSMLEPVEARN-UHFFFAOYSA-N	-1	0	369.370	2.139	20	10		FECDRM
CCc1noc(COCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000935993147	681871109	/nfs/dbraw/zinc/87/11/09/681871109.db2.gz	QQHMYRPCJWWWQF-UHFFFAOYSA-N	-1	0	360.197	2.477	20	10		FECDRM
CS(=O)(=O)CCOc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000850347210	681888659	/nfs/dbraw/zinc/88/86/59/681888659.db2.gz	OXVBUOGSZLTJNH-UHFFFAOYSA-N	-1	0	366.395	2.336	20	10		FECDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C	ZINC000853107422	682376813	/nfs/dbraw/zinc/37/68/13/682376813.db2.gz	SGEVQUPIEFXHMU-CQSZACIVSA-N	-1	0	364.467	2.118	20	10		FECDRM
Cc1nnc(NC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)s1	ZINC000788322216	682520679	/nfs/dbraw/zinc/52/06/79/682520679.db2.gz	VYOOHFQBBWUSCH-UHFFFAOYSA-N	-1	0	356.791	2.324	20	10		FECDRM
C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)cc(F)c1[O-]	ZINC000790758014	682699553	/nfs/dbraw/zinc/69/95/53/682699553.db2.gz	NEAVSJDUFZKQBV-NSHDSACASA-N	-1	0	371.405	2.287	20	10		FECDRM
O=S(=O)(NC1CCCC1)C1CN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000792173368	682794035	/nfs/dbraw/zinc/79/40/35/682794035.db2.gz	CRVVNBYDVHPVIP-UHFFFAOYSA-N	-1	0	362.854	2.231	20	10		FECDRM
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C(=O)[O-]	ZINC000797819452	683275604	/nfs/dbraw/zinc/27/56/04/683275604.db2.gz	JNPJVKHFOJTTAO-UHFFFAOYSA-N	-1	0	367.379	2.299	20	10		FECDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1csc([C@H]2CCCO2)n1	ZINC000911494896	685217027	/nfs/dbraw/zinc/21/70/27/685217027.db2.gz	ZWLJLQBFCGQRRG-CQSZACIVSA-N	-1	0	362.407	2.427	20	10		FECDRM
Oc1ccc(Br)cc1CNCc1cn(C[C@H]2CCCO2)nn1	ZINC000877520891	686400329	/nfs/dbraw/zinc/40/03/29/686400329.db2.gz	JXJFYEFWWHAUQA-CQSZACIVSA-N	-1	0	367.247	2.215	20	10		FECDRM
CS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1	ZINC000894670813	689576004	/nfs/dbraw/zinc/57/60/04/689576004.db2.gz	MBUAWBDKFKZWGW-JTQLQIEISA-N	-1	0	368.680	2.427	20	10		FECDRM
COCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)o1	ZINC000899341646	690339246	/nfs/dbraw/zinc/33/92/46/690339246.db2.gz	GEWAYILTRSCHKF-LUAWRHEFSA-N	-1	0	371.436	2.371	20	10		FECDRM
COCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000290356520	552466373	/nfs/dbraw/zinc/46/63/73/552466373.db2.gz	GMUNCTQAPDVKSD-LBPRGKRZSA-N	-1	0	368.282	2.335	20	10		FECDRM
C[C@@H]1CN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cn2)C[C@H](C)O1	ZINC000295000867	552950377	/nfs/dbraw/zinc/95/03/77/552950377.db2.gz	ZWUXNOSFQOJWBO-PHIMTYICSA-N	-1	0	361.373	2.498	20	10		FECDRM
COCCCn1cc(C(=O)NCc2cccc(Br)c2O)cn1	ZINC000529169602	562363075	/nfs/dbraw/zinc/36/30/75/562363075.db2.gz	GNQVCKXFWYVEST-UHFFFAOYSA-N	-1	0	368.231	2.318	20	10		FECDRM
COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807511395	674418111	/nfs/dbraw/zinc/41/81/11/674418111.db2.gz	MDUNVTJXQCOSPZ-UHFFFAOYSA-N	-1	0	370.192	2.358	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)NCCCC(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000818113921	597287015	/nfs/dbraw/zinc/28/70/15/597287015.db2.gz	SJRIMKJHHFJEOT-CHWSQXEVSA-N	-1	0	367.421	2.103	20	10		FECDRM
C[C@H](OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000737706519	597494232	/nfs/dbraw/zinc/49/42/32/597494232.db2.gz	QNUIMECMCHABTB-QMMMGPOBSA-N	-1	0	369.285	2.000	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCS1(=O)=O	ZINC000807839943	674431256	/nfs/dbraw/zinc/43/12/56/674431256.db2.gz	NIVSIADVAFPUNP-LLVKDONJSA-N	-1	0	352.239	2.283	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C	ZINC000808105187	674441336	/nfs/dbraw/zinc/44/13/36/674441336.db2.gz	ZAIGZFBLDMSHMM-UHFFFAOYSA-N	-1	0	356.787	2.336	20	10		FECDRM
CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000736943598	600213747	/nfs/dbraw/zinc/21/37/47/600213747.db2.gz	PGZFJBVZBIELJI-ZQMJAJRESA-N	-1	0	363.414	2.240	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000738498237	600536019	/nfs/dbraw/zinc/53/60/19/600536019.db2.gz	NYSYUUHVSVGCIV-UHFFFAOYSA-N	-1	0	353.382	2.400	20	10		FECDRM
Cc1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c(C)n1-c1cccc(C)c1	ZINC000738681256	600536500	/nfs/dbraw/zinc/53/65/00/600536500.db2.gz	RLIBINKRRNWLHC-UHFFFAOYSA-N	-1	0	353.382	2.400	20	10		FECDRM
O=C([O-])[C@@H]1CC12CCN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2	ZINC000739525778	600751595	/nfs/dbraw/zinc/75/15/95/600751595.db2.gz	MRAIILBFYNPMTL-KRWDZBQOSA-N	-1	0	355.438	2.459	20	10		FECDRM
Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832859950	601223610	/nfs/dbraw/zinc/22/36/10/601223610.db2.gz	RQYZDYGPKYGWQP-OAHLLOKOSA-N	-1	0	363.435	2.061	20	10		FECDRM
O=C([O-])[C@]1(F)CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357565	601373242	/nfs/dbraw/zinc/37/32/42/601373242.db2.gz	ZJJZCGZKSYAYGQ-IBGZPJMESA-N	-1	0	359.353	2.327	20	10		FECDRM
C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000739022150	602506273	/nfs/dbraw/zinc/50/62/73/602506273.db2.gz	SUYTWOWAYZFKLU-RHSMWYFYSA-N	-1	0	361.442	2.233	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2C[C@@H](O)COCc1ccco1	ZINC000740673431	602654036	/nfs/dbraw/zinc/65/40/36/602654036.db2.gz	BZRYDDCFUZFJFD-MRXNPFEDSA-N	-1	0	360.410	2.378	20	10		FECDRM
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCc1ccc(N2CCCC2)cc1	ZINC000740365031	602846104	/nfs/dbraw/zinc/84/61/04/602846104.db2.gz	NOIZOPSFXDUCCL-KRWDZBQOSA-N	-1	0	361.442	2.062	20	10		FECDRM
O=C([O-])NC[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740622426	602945013	/nfs/dbraw/zinc/94/50/13/602945013.db2.gz	BHRKZXCNDHAPNH-MRXNPFEDSA-N	-1	0	358.442	2.252	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1	ZINC000739909715	602964698	/nfs/dbraw/zinc/96/46/98/602964698.db2.gz	MLPQGMVADDBDGG-IRXDYDNUSA-N	-1	0	361.442	2.170	20	10		FECDRM
C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000738956695	602972066	/nfs/dbraw/zinc/97/20/66/602972066.db2.gz	BBAGLFFUCVDXHG-RRQGHBQHSA-N	-1	0	361.442	2.137	20	10		FECDRM
C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000738956698	602972159	/nfs/dbraw/zinc/97/21/59/602972159.db2.gz	BBAGLFFUCVDXHG-XKQJLSEDSA-N	-1	0	361.442	2.137	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc3nccn3c2)NC(=O)[O-])cc1	ZINC000828064622	603029541	/nfs/dbraw/zinc/02/95/41/603029541.db2.gz	UWTGECINVSODLA-INIZCTEOSA-N	-1	0	367.409	2.139	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)NC(=O)[O-])cc1	ZINC000828064640	603029686	/nfs/dbraw/zinc/02/96/86/603029686.db2.gz	VHWIKEQXFYJWAK-KRWDZBQOSA-N	-1	0	357.410	2.257	20	10		FECDRM
CC(C)c1nn(C)cc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000824504482	603030466	/nfs/dbraw/zinc/03/04/66/603030466.db2.gz	ZZJNSJMTDGSCIF-INIZCTEOSA-N	-1	0	373.457	2.348	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c3c2CCCC3)NC(=O)[O-])cc1	ZINC000828063565	603030710	/nfs/dbraw/zinc/03/07/10/603030710.db2.gz	GXVXZRZIROZWED-MRXNPFEDSA-N	-1	0	371.441	2.093	20	10		FECDRM
Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830016284	603033552	/nfs/dbraw/zinc/03/35/52/603033552.db2.gz	DLXMZHPIOPHYRC-WMLDXEAASA-N	-1	0	373.457	2.252	20	10		FECDRM
Cc1cc(C)n([C@@H](C)C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830016285	603033618	/nfs/dbraw/zinc/03/36/18/603033618.db2.gz	DLXMZHPIOPHYRC-YOEHRIQHSA-N	-1	0	373.457	2.252	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)cc1F	ZINC000739617292	603078310	/nfs/dbraw/zinc/07/83/10/603078310.db2.gz	GQMXIXZFEYDPQF-UHFFFAOYSA-N	-1	0	371.412	2.313	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829424910	603501978	/nfs/dbraw/zinc/50/19/78/603501978.db2.gz	UXTYILHDJNEHNJ-HUUCEWRRSA-N	-1	0	361.442	2.170	20	10		FECDRM
Cc1cc(C)c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(=O)[nH]1	ZINC000829986582	603855316	/nfs/dbraw/zinc/85/53/16/603855316.db2.gz	QBHIRNISSPYUPT-OAHLLOKOSA-N	-1	0	372.425	2.209	20	10		FECDRM
COC(=O)/C=C/c1ccc(N(C)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000828648209	603885524	/nfs/dbraw/zinc/88/55/24/603885524.db2.gz	TWWKPZVNUQCHNH-GQCTYLIASA-N	-1	0	363.370	2.360	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000828399821	604029548	/nfs/dbraw/zinc/02/95/48/604029548.db2.gz	HMLRKIJKMGBTTK-UHFFFAOYSA-N	-1	0	369.377	2.030	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2csc(C=O)c2)NC(=O)[O-])cc1	ZINC000828064026	604152838	/nfs/dbraw/zinc/15/28/38/604152838.db2.gz	LBOQOPKQYCZUMR-HNNXBMFYSA-N	-1	0	361.423	2.365	20	10		FECDRM
O=C([O-])c1cccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	ZINC000833765921	604716268	/nfs/dbraw/zinc/71/62/68/604716268.db2.gz	WOXOZTVTEPOWFH-UHFFFAOYSA-N	-1	0	372.396	2.219	20	10		FECDRM
Cc1cc(C(=O)CN2CC[C@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832859034	604767741	/nfs/dbraw/zinc/76/77/41/604767741.db2.gz	NWTZKLNOAIOGAL-HNNXBMFYSA-N	-1	0	356.422	2.289	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1	ZINC000829484569	605309385	/nfs/dbraw/zinc/30/93/85/605309385.db2.gz	TYJKTJRVVICUEZ-GFCCVEGCSA-N	-1	0	350.415	2.433	20	10		FECDRM
O=C([O-])N1CCC(n2cccc2C(=O)NCc2ccc(O)c(O)c2)CC1	ZINC000834049224	605546940	/nfs/dbraw/zinc/54/69/40/605546940.db2.gz	MUTPUFFNLPGCEG-UHFFFAOYSA-N	-1	0	359.382	2.144	20	10		FECDRM
O=C([O-])NCCOc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	ZINC000834245600	605696326	/nfs/dbraw/zinc/69/63/26/605696326.db2.gz	NLEURGAZZINJJZ-FNORWQNLSA-N	-1	0	358.350	2.396	20	10		FECDRM
CC[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCN1C(=O)[O-]	ZINC000833844331	605824647	/nfs/dbraw/zinc/82/46/47/605824647.db2.gz	SHCPOIJDVIWZHD-IBGZPJMESA-N	-1	0	361.442	2.062	20	10		FECDRM
Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)n1	ZINC000727243661	673162760	/nfs/dbraw/zinc/16/27/60/673162760.db2.gz	UFTPIHSAOZADMJ-UHFFFAOYSA-N	-1	0	364.408	2.073	20	10		FECDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cc1	ZINC000761998901	680737093	/nfs/dbraw/zinc/73/70/93/680737093.db2.gz	AMNXLYJUHQQVSG-UHFFFAOYSA-N	-1	0	364.423	2.340	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC	ZINC000840915107	680852746	/nfs/dbraw/zinc/85/27/46/680852746.db2.gz	KDKRHINCFJKCGV-UHFFFAOYSA-N	-1	0	353.396	2.357	20	10		FECDRM
CNC(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1	ZINC000840974661	680858083	/nfs/dbraw/zinc/85/80/83/680858083.db2.gz	MSCCPXRRXCFLLT-UHFFFAOYSA-N	-1	0	356.264	2.357	20	10		FECDRM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766046724	680864249	/nfs/dbraw/zinc/86/42/49/680864249.db2.gz	BCNCGDLJLCYKBB-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000753013903	680270605	/nfs/dbraw/zinc/27/06/05/680270605.db2.gz	BXGNBZVJBYCHJN-UHFFFAOYSA-N	-1	0	352.322	2.256	20	10		FECDRM
CC(C)(C(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000844252723	681046659	/nfs/dbraw/zinc/04/66/59/681046659.db2.gz	VNOVIBYGUOWPFU-UHFFFAOYSA-N	-1	0	356.369	2.484	20	10		FECDRM
O=C([O-])c1cnn2c1[nH]c(CN(CC1CCC1)CC(F)(F)F)cc2=O	ZINC000846258776	681213315	/nfs/dbraw/zinc/21/33/15/681213315.db2.gz	WDOWHAUGLJVPAD-UHFFFAOYSA-N	-1	0	358.320	2.298	20	10		FECDRM
C[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(N(C)C)cc1	ZINC000775834657	681340126	/nfs/dbraw/zinc/34/01/26/681340126.db2.gz	BTDFFURBLQSDHE-ZDUSSCGKSA-N	-1	0	358.467	2.425	20	10		FECDRM
CNC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000912775536	685435411	/nfs/dbraw/zinc/43/54/11/685435411.db2.gz	OXUOUKONAFFXTJ-FMIVXFBMSA-N	-1	0	364.448	2.112	20	10		FECDRM
Cc1nc([C@@H]2COCCN2Cc2cccc(Br)c2[O-])no1	ZINC000779612701	681730579	/nfs/dbraw/zinc/73/05/79/681730579.db2.gz	IEHASBUZXWLWNU-LBPRGKRZSA-N	-1	0	354.204	2.420	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCCc2cccs2)cc1	ZINC000853006407	682363305	/nfs/dbraw/zinc/36/33/05/682363305.db2.gz	FIDDFUXJOZYOIC-UHFFFAOYSA-N	-1	0	362.451	2.397	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000790411307	682674767	/nfs/dbraw/zinc/67/47/67/682674767.db2.gz	JUPHNPCLDCVVAS-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000795275875	683034247	/nfs/dbraw/zinc/03/42/47/683034247.db2.gz	JSQDPDYJTYIRLZ-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC2(C(=O)[O-])CCSCC2)cc1F	ZINC000797715745	683266870	/nfs/dbraw/zinc/26/68/70/683266870.db2.gz	TWEJSPGFVQAIDK-UHFFFAOYSA-N	-1	0	355.435	2.041	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CCSC[C@@H]2C(=O)[O-])cc1F	ZINC000797719783	683267253	/nfs/dbraw/zinc/26/72/53/683267253.db2.gz	SBESEGHWCWQSQC-OAHLLOKOSA-N	-1	0	369.462	2.384	20	10		FECDRM
COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000862516663	683596698	/nfs/dbraw/zinc/59/66/98/683596698.db2.gz	WPENEWSLPCWHBQ-ZWNOBZJWSA-N	-1	0	372.805	2.402	20	10		FECDRM
C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@@H]1C(=O)[O-]	ZINC000864613384	683873328	/nfs/dbraw/zinc/87/33/28/683873328.db2.gz	TZBVBIHVSALUSJ-RISCZKNCSA-N	-1	0	359.451	2.499	20	10		FECDRM
C[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000872839624	685022889	/nfs/dbraw/zinc/02/28/89/685022889.db2.gz	BMIQSVLTULNOMQ-RDBSUJKOSA-N	-1	0	366.483	2.295	20	10		FECDRM
C[C@@H]1[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCS1(=O)=O	ZINC000875866785	686095490	/nfs/dbraw/zinc/09/54/90/686095490.db2.gz	HCHCEUPRTXTXFY-RDDDGLTNSA-N	-1	0	367.254	2.074	20	10		FECDRM
CC1(C)CN(Cc2cc(Br)cc(F)c2[O-])CCS1(=O)=O	ZINC000894063401	689458773	/nfs/dbraw/zinc/45/87/73/689458773.db2.gz	AUOIDEUYNPEHON-UHFFFAOYSA-N	-1	0	366.252	2.303	20	10		FECDRM
O=C1N=NC2CN(Cc3cc(Cl)cc(Br)c3[O-])CCN12	ZINC000894467199	689538090	/nfs/dbraw/zinc/53/80/90/689538090.db2.gz	XRQXVLINDJRSDT-UHFFFAOYSA-N	-1	0	359.611	2.121	20	10		FECDRM
COC(=O)[C@H](NCc1cc(Br)cc(F)c1[O-])c1ccnn1C	ZINC000895083414	689656654	/nfs/dbraw/zinc/65/66/54/689656654.db2.gz	GBHTVTWGQHZWKP-GFCCVEGCSA-N	-1	0	372.194	2.031	20	10		FECDRM
Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1C	ZINC000874968596	939266717	/nfs/dbraw/zinc/26/67/17/939266717.db2.gz	NPEMBLJDGMSZTF-FQEVSTJZSA-N	-1	0	370.405	2.189	20	10		FECDRM
CCC[C@@H](NC(N)=O)C(=O)N(CC)Cc1cc(Br)ccc1O	ZINC000120989850	543687085	/nfs/dbraw/zinc/68/70/85/543687085.db2.gz	AICLFBNTONHNQV-GFCCVEGCSA-N	-1	0	372.263	2.340	20	10		FECDRM
C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273435944	550498559	/nfs/dbraw/zinc/49/85/59/550498559.db2.gz	MCDHOUVNAZLWMT-OTYXRUKQSA-N	-1	0	374.319	2.135	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)o1	ZINC000277713925	550705247	/nfs/dbraw/zinc/70/52/47/550705247.db2.gz	ROKDIWMQDLSTHI-UHFFFAOYSA-N	-1	0	355.368	2.360	20	10		FECDRM
CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000293958974	552870799	/nfs/dbraw/zinc/87/07/99/552870799.db2.gz	PSGWXXIWLOURRK-SNVBAGLBSA-N	-1	0	362.835	2.210	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1NC(=O)C[C@H]1C(F)(F)F	ZINC000366219333	555784872	/nfs/dbraw/zinc/78/48/72/555784872.db2.gz	SEHCVJBLQWUFRY-GMSGAONNSA-N	-1	0	371.142	2.382	20	10		FECDRM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(C)c1OC	ZINC000806553933	674381089	/nfs/dbraw/zinc/38/10/89/674381089.db2.gz	DLXMLWUCPQTSCR-WDZFZDKYSA-N	-1	0	353.421	2.298	20	10		FECDRM
Cc1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807513493	674418327	/nfs/dbraw/zinc/41/83/27/674418327.db2.gz	PFBNPBIREIVCID-UHFFFAOYSA-N	-1	0	355.181	2.052	20	10		FECDRM
O=C([O-])CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819484536	597223839	/nfs/dbraw/zinc/22/38/39/597223839.db2.gz	MIPBGEFLURHVFK-LLVKDONJSA-N	-1	0	357.357	2.031	20	10		FECDRM
O=C([O-])CNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1	ZINC000821534137	597752608	/nfs/dbraw/zinc/75/26/08/597752608.db2.gz	GLHJRVLYOUEPBK-UHFFFAOYSA-N	-1	0	371.418	2.484	20	10		FECDRM
O=C(CNC(=O)c1ccncc1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836697	674431184	/nfs/dbraw/zinc/43/11/84/674431184.db2.gz	KVJJJEJWNVYQNN-UHFFFAOYSA-N	-1	0	354.193	2.140	20	10		FECDRM
Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000738498421	600139438	/nfs/dbraw/zinc/13/94/38/600139438.db2.gz	UASCLSRTHWMKIQ-AEFFLSMTSA-N	-1	0	356.422	2.105	20	10		FECDRM
CCOc1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)s1	ZINC000737221698	600142767	/nfs/dbraw/zinc/14/27/67/600142767.db2.gz	DLHFUNFGKJECME-UHFFFAOYSA-N	-1	0	357.819	2.383	20	10		FECDRM
CCOC(=O)[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC000737136242	600791170	/nfs/dbraw/zinc/79/11/70/600791170.db2.gz	PYDOZTWTIBFMDM-MRXNPFEDSA-N	-1	0	359.378	2.008	20	10		FECDRM
C[C@@H]1CCCCN1C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000828251497	601114682	/nfs/dbraw/zinc/11/46/82/601114682.db2.gz	JFXAZYNFGDTQOO-GFCCVEGCSA-N	-1	0	354.834	2.333	20	10		FECDRM
Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1C(=O)[O-]	ZINC000832888296	601165959	/nfs/dbraw/zinc/16/59/59/601165959.db2.gz	HQBLLKMCLIOSKR-UHFFFAOYSA-N	-1	0	369.421	2.323	20	10		FECDRM
O=C([O-])[C@@]1(F)CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833357566	601372993	/nfs/dbraw/zinc/37/29/93/601372993.db2.gz	ZJJZCGZKSYAYGQ-LJQANCHMSA-N	-1	0	359.353	2.327	20	10		FECDRM
Cc1cc(C(=O)CN(CCO)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832857881	601594131	/nfs/dbraw/zinc/59/41/31/601594131.db2.gz	CIQNJQPXMQYLIT-UHFFFAOYSA-N	-1	0	356.422	2.432	20	10		FECDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000827295122	602102195	/nfs/dbraw/zinc/10/21/95/602102195.db2.gz	DOESDVRFZWWCCK-LLVKDONJSA-N	-1	0	374.359	2.269	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)[O-])cc3)CC2)cc1	ZINC000739910194	602228070	/nfs/dbraw/zinc/22/80/70/602228070.db2.gz	OYVNNBGLJKAEOD-UHFFFAOYSA-N	-1	0	369.421	2.425	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000830825282	602402877	/nfs/dbraw/zinc/40/28/77/602402877.db2.gz	NOPUUMHWVFHPJE-UHFFFAOYSA-N	-1	0	373.384	2.187	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739925340	602419823	/nfs/dbraw/zinc/41/98/23/602419823.db2.gz	LZPRIJMWXWIPSC-VXGBXAGGSA-N	-1	0	351.403	2.151	20	10		FECDRM
C[C@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)NC(=O)[O-]	ZINC000824622777	602817390	/nfs/dbraw/zinc/81/73/90/602817390.db2.gz	PKRZFRNMCLJZDM-LLVKDONJSA-N	-1	0	371.384	2.419	20	10		FECDRM
CCc1noc(C)c1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827663422	603023232	/nfs/dbraw/zinc/02/32/32/603023232.db2.gz	MRQYGVGYVJYVMM-HNNXBMFYSA-N	-1	0	360.414	2.350	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CCC2CCOCC2)NC(=O)[O-])cc1	ZINC000828064124	603029694	/nfs/dbraw/zinc/02/96/94/603029694.db2.gz	LRHQBZALICXTGZ-KRWDZBQOSA-N	-1	0	363.458	2.384	20	10		FECDRM
COCCN(CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-]	ZINC000739816874	603105380	/nfs/dbraw/zinc/10/53/80/603105380.db2.gz	PILQFVSGMZJREC-UHFFFAOYSA-N	-1	0	363.458	2.262	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCCCC2)NC(=O)[O-])cc1	ZINC000828064112	603854329	/nfs/dbraw/zinc/85/43/29/603854329.db2.gz	LKCRSGFWWYUJNY-INIZCTEOSA-N	-1	0	363.458	2.263	20	10		FECDRM
COc1ccc(N2CCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cc1F	ZINC000829423386	603937216	/nfs/dbraw/zinc/93/72/16/603937216.db2.gz	GARLURLEVUSPAL-CQSZACIVSA-N	-1	0	365.405	2.015	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(O)cc2)NC(=O)[O-])cc1	ZINC000828063837	604412381	/nfs/dbraw/zinc/41/23/81/604412381.db2.gz	ITBILFIQRGXAAV-KRWDZBQOSA-N	-1	0	357.410	2.126	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000829484143	604581226	/nfs/dbraw/zinc/58/12/26/604581226.db2.gz	PTKGFGYDSAQYHB-OLZOCXBDSA-N	-1	0	350.415	2.433	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000833733444	605205980	/nfs/dbraw/zinc/20/59/80/605205980.db2.gz	ILXCZMMMZQJMSI-VIFPVBQESA-N	-1	0	369.370	2.278	20	10		FECDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000825825386	605384694	/nfs/dbraw/zinc/38/46/94/605384694.db2.gz	ZSBQPMKJHOTWBG-DGCLKSJQSA-N	-1	0	352.410	2.222	20	10		FECDRM
O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000834183603	605710899	/nfs/dbraw/zinc/71/08/99/605710899.db2.gz	LURICIRDZQGLMM-ZIAGYGMSSA-N	-1	0	350.415	2.363	20	10		FECDRM
COc1ccc(O)c(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])c1	ZINC000829483078	605878589	/nfs/dbraw/zinc/87/85/89/605878589.db2.gz	DAMFPWRRHLHBRM-MRXNPFEDSA-N	-1	0	356.378	2.122	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CCCNC(=O)C(F)(F)F	ZINC000834247078	605950554	/nfs/dbraw/zinc/95/05/54/605950554.db2.gz	HUXWTUPRRDXYLV-UHFFFAOYSA-N	-1	0	359.348	2.275	20	10		FECDRM
O=[N+]([O-])c1ccc2[nH]c(C(Cl)=CC3=S=C(c4nnn[n-]4)C=C3)nc2c1	ZINC000823643827	606390066	/nfs/dbraw/zinc/39/00/66/606390066.db2.gz	CJFZVPGADJAKBE-TWGQIWQCSA-N	-1	0	373.785	2.260	20	10		FECDRM
CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000032090784	670126490	/nfs/dbraw/zinc/12/64/90/670126490.db2.gz	GKAMPACVLMMMSO-UHFFFAOYSA-N	-1	0	362.436	2.194	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)ccc1F	ZINC000105590012	670803779	/nfs/dbraw/zinc/80/37/79/670803779.db2.gz	NQZOOOHBNYGUMA-UHFFFAOYSA-N	-1	0	358.416	2.306	20	10		FECDRM
O=C(CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCC1	ZINC000119642727	671904721	/nfs/dbraw/zinc/90/47/21/671904721.db2.gz	OONHMVIOGCEQCE-UHFFFAOYSA-N	-1	0	372.296	2.439	20	10		FECDRM
COC(=O)COc1ccc(N(C)Cc2nc(=O)c3sccc3[n-]2)cc1	ZINC000183792077	672480578	/nfs/dbraw/zinc/48/05/78/672480578.db2.gz	NOULNGBKZNJKSQ-UHFFFAOYSA-N	-1	0	359.407	2.173	20	10		FECDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000743259504	673754051	/nfs/dbraw/zinc/75/40/51/673754051.db2.gz	BHOPFUROQRSNHY-UHFFFAOYSA-N	-1	0	374.415	2.012	20	10		FECDRM
CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821151205	675418552	/nfs/dbraw/zinc/41/85/52/675418552.db2.gz	XOTIZCCMGTVXGO-UHFFFAOYSA-N	-1	0	370.377	2.102	20	10		FECDRM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047363	680864167	/nfs/dbraw/zinc/86/41/67/680864167.db2.gz	NGXKJGHYJYDCBK-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSCC(=O)[O-])cc1	ZINC000747808753	679904429	/nfs/dbraw/zinc/90/44/29/679904429.db2.gz	QTZYDMPJMZXVSU-INIZCTEOSA-N	-1	0	366.483	2.078	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C	ZINC000841677826	680906111	/nfs/dbraw/zinc/90/61/11/680906111.db2.gz	VSPGNBSHLUSPGH-LLVKDONJSA-N	-1	0	351.428	2.433	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1[O-]	ZINC000769410358	680981760	/nfs/dbraw/zinc/98/17/60/680981760.db2.gz	BMKPMCZOUVFWHC-OCCSQVGLSA-N	-1	0	374.846	2.495	20	10		FECDRM
O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000770631167	681022365	/nfs/dbraw/zinc/02/23/65/681022365.db2.gz	RYSNZTBNSMYITB-UHFFFAOYSA-N	-1	0	357.391	2.008	20	10		FECDRM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1s[n-]c(=O)c1Cl	ZINC000774382494	681182535	/nfs/dbraw/zinc/18/25/35/681182535.db2.gz	XFQXDDURASWEFV-UHFFFAOYSA-N	-1	0	371.821	2.408	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000775286090	681291741	/nfs/dbraw/zinc/29/17/41/681291741.db2.gz	CEMTYGJRXBTAGF-UHFFFAOYSA-N	-1	0	361.297	2.397	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000775286697	681292262	/nfs/dbraw/zinc/29/22/62/681292262.db2.gz	MFMRAKGNOSOSLK-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C	ZINC000775291722	681293938	/nfs/dbraw/zinc/29/39/38/681293938.db2.gz	OFYVOPHZFHMSAI-UHFFFAOYSA-N	-1	0	367.427	2.326	20	10		FECDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000779210565	681689204	/nfs/dbraw/zinc/68/92/04/681689204.db2.gz	YZVHUFZFFMASNJ-CQSZACIVSA-N	-1	0	364.467	2.497	20	10		FECDRM
NS(=O)(=O)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000780895443	681884344	/nfs/dbraw/zinc/88/43/44/681884344.db2.gz	UBFYVGRWXYXJKO-UHFFFAOYSA-N	-1	0	357.775	2.213	20	10		FECDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)nc1	ZINC000917386600	685531729	/nfs/dbraw/zinc/53/17/29/685531729.db2.gz	FULZVWABPGGQFR-UHFFFAOYSA-N	-1	0	357.435	2.263	20	10		FECDRM
COCCCOC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408019	682295274	/nfs/dbraw/zinc/29/52/74/682295274.db2.gz	ONFCYUANKURADB-UHFFFAOYSA-N	-1	0	371.436	2.448	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cn1C	ZINC000792702914	682828809	/nfs/dbraw/zinc/82/88/09/682828809.db2.gz	ITVUSFAIYZAUMR-UHFFFAOYSA-N	-1	0	356.425	2.040	20	10		FECDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000792702869	682828866	/nfs/dbraw/zinc/82/88/66/682828866.db2.gz	GQHOWIABGUDDRU-UHFFFAOYSA-N	-1	0	373.477	2.318	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1F	ZINC000797719542	683267181	/nfs/dbraw/zinc/26/71/81/683267181.db2.gz	PNZWHHLXOWGUDV-KRWDZBQOSA-N	-1	0	369.462	2.431	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)ccc1O	ZINC000797820296	683276177	/nfs/dbraw/zinc/27/61/77/683276177.db2.gz	PQZQKPWOLDTFLT-UHFFFAOYSA-N	-1	0	359.306	2.178	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000799540586	683466384	/nfs/dbraw/zinc/46/63/84/683466384.db2.gz	CJKYUKKPKMQDSQ-UHFFFAOYSA-N	-1	0	362.407	2.097	20	10		FECDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	ZINC000929047057	683540023	/nfs/dbraw/zinc/54/00/23/683540023.db2.gz	YQZVJWHMRDOSGM-BBRMVZONSA-N	-1	0	351.447	2.333	20	10		FECDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1	ZINC000871806943	684858696	/nfs/dbraw/zinc/85/86/96/684858696.db2.gz	PGBSGHSKRUVKHW-UHFFFAOYSA-N	-1	0	364.423	2.365	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2CCC(F)CC2)cc1	ZINC000872977879	685042947	/nfs/dbraw/zinc/04/29/47/685042947.db2.gz	JARNWMBACUFWAC-UHFFFAOYSA-N	-1	0	352.406	2.231	20	10		FECDRM
C[C@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1=O	ZINC000911360562	685203099	/nfs/dbraw/zinc/20/30/99/685203099.db2.gz	UWMFGZZQMHAWAQ-QWRGUYRKSA-N	-1	0	353.802	2.464	20	10		FECDRM
COCc1nc(C)c(C(=O)N(CC(=O)[O-])Cc2ccccc2O)s1	ZINC000911490011	685216783	/nfs/dbraw/zinc/21/67/83/685216783.db2.gz	CZRHLIKWWTYTJE-UHFFFAOYSA-N	-1	0	350.396	2.031	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CN(c2ccncn2)C1	ZINC000876066853	686126951	/nfs/dbraw/zinc/12/69/51/686126951.db2.gz	LHAICMNAMRIPKI-UHFFFAOYSA-N	-1	0	368.224	2.177	20	10		FECDRM
O=C([N-]CC1C[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(F)(F)F	ZINC000877777319	686454733	/nfs/dbraw/zinc/45/47/33/686454733.db2.gz	VPMKUSLCHBXHRJ-UHFFFAOYSA-N	-1	0	367.711	2.064	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCN(c2cccnn2)CC1	ZINC000893986792	689443827	/nfs/dbraw/zinc/44/38/27/689443827.db2.gz	CXZRTGHOECRFRR-UHFFFAOYSA-N	-1	0	367.222	2.406	20	10		FECDRM
C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CCS1(=O)=O	ZINC000894567097	689556245	/nfs/dbraw/zinc/55/62/45/689556245.db2.gz	PXGPRHYAXANIMJ-VIFPVBQESA-N	-1	0	366.252	2.303	20	10		FECDRM
COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cccc(Br)c1[O-]	ZINC000895863766	689784267	/nfs/dbraw/zinc/78/42/67/689784267.db2.gz	NJYCIKAXMUKKKW-WCQYABFASA-N	-1	0	358.232	2.355	20	10		FECDRM
COc1nccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1F	ZINC000899341938	690339300	/nfs/dbraw/zinc/33/93/00/690339300.db2.gz	NEOWGMRZJMVWGL-CLFYSBASSA-N	-1	0	356.400	2.295	20	10		FECDRM
O=C([O-])[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	ZINC000852951235	939240284	/nfs/dbraw/zinc/24/02/84/939240284.db2.gz	PHXMDPOUAFCQCD-WFASDCNBSA-N	-1	0	368.380	2.484	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cc1	ZINC000119038805	543663571	/nfs/dbraw/zinc/66/35/71/543663571.db2.gz	FJJVMEYLXZNHST-UHFFFAOYSA-N	-1	0	357.366	2.271	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000805187882	674325180	/nfs/dbraw/zinc/32/51/80/674325180.db2.gz	AFGAWXPGLUVODD-SNVBAGLBSA-N	-1	0	358.225	2.262	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000276974151	550617095	/nfs/dbraw/zinc/61/70/95/550617095.db2.gz	VVTIQOAYUJUZMA-UHFFFAOYSA-N	-1	0	365.333	2.351	20	10		FECDRM
CCc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1O	ZINC000291602984	552641998	/nfs/dbraw/zinc/64/19/98/552641998.db2.gz	XLQJKHVUSFINHI-UHFFFAOYSA-N	-1	0	374.462	2.442	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CN(C2CC2)CCO1	ZINC000366459310	555850406	/nfs/dbraw/zinc/85/04/06/555850406.db2.gz	XCRBZHFSHNNUGF-CYBMUJFWSA-N	-1	0	374.268	2.361	20	10		FECDRM
Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000473263794	561045934	/nfs/dbraw/zinc/04/59/34/561045934.db2.gz	MNMODLOPWWNCCM-UHFFFAOYSA-N	-1	0	363.377	2.166	20	10		FECDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1F	ZINC000532395432	562476425	/nfs/dbraw/zinc/47/64/25/562476425.db2.gz	OTGZTZOIZVWMKC-UHFFFAOYSA-N	-1	0	367.383	2.418	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000820602261	598144664	/nfs/dbraw/zinc/14/46/64/598144664.db2.gz	SSWCFFMQSKNBOG-UHFFFAOYSA-N	-1	0	370.405	2.266	20	10		FECDRM
CC(C)C(=O)N[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000736345998	599706181	/nfs/dbraw/zinc/70/61/81/599706181.db2.gz	XKFQHTVFRHMKLJ-IQCBXXCUSA-N	-1	0	361.398	2.434	20	10		FECDRM
O=C([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)o1	ZINC000740176618	599770269	/nfs/dbraw/zinc/77/02/69/599770269.db2.gz	KUVFIDAZBWZGLF-UHFFFAOYSA-N	-1	0	350.396	2.057	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000738040756	600110220	/nfs/dbraw/zinc/11/02/20/600110220.db2.gz	BXOUHSCRAWRQDG-VIFPVBQESA-N	-1	0	360.322	2.498	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1F	ZINC000737375849	600228668	/nfs/dbraw/zinc/22/86/68/600228668.db2.gz	NEJCNFSBANJVKX-UHFFFAOYSA-N	-1	0	366.414	2.210	20	10		FECDRM
O=C([O-])c1cccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	ZINC000739443166	600754657	/nfs/dbraw/zinc/75/46/57/600754657.db2.gz	WDBKZTRSWQELGU-UHFFFAOYSA-N	-1	0	365.389	2.016	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1F	ZINC000820841373	601519031	/nfs/dbraw/zinc/51/90/31/601519031.db2.gz	RFKFRHDGQBILOB-UHFFFAOYSA-N	-1	0	358.369	2.495	20	10		FECDRM
Cc1cc(CCNS(=O)(=O)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1	ZINC000832881386	601773341	/nfs/dbraw/zinc/77/33/41/601773341.db2.gz	BLXIHWWVACDFAZ-CYBMUJFWSA-N	-1	0	364.467	2.277	20	10		FECDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000736368025	601864688	/nfs/dbraw/zinc/86/46/88/601864688.db2.gz	BWFAUNMCRNAXFE-HNNXBMFYSA-N	-1	0	351.472	2.148	20	10		FECDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000739226128	602132524	/nfs/dbraw/zinc/13/25/24/602132524.db2.gz	BJSZAUDKDCFERH-WMLDXEAASA-N	-1	0	363.458	2.416	20	10		FECDRM
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738979585	602148664	/nfs/dbraw/zinc/14/86/64/602148664.db2.gz	NINDVPVLFVHMRI-TZMCWYRMSA-N	-1	0	366.437	2.469	20	10		FECDRM
C[C@@H](NC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000738994465	602255420	/nfs/dbraw/zinc/25/54/20/602255420.db2.gz	JXFXBMKVHOULKA-SNVBAGLBSA-N	-1	0	357.357	2.029	20	10		FECDRM
O=C([O-])NCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cs1	ZINC000740682125	602707889	/nfs/dbraw/zinc/70/78/89/602707889.db2.gz	CCQBBDFHYAXAHX-UHFFFAOYSA-N	-1	0	360.439	2.441	20	10		FECDRM
C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)NC(=O)[O-]	ZINC000824563959	602772977	/nfs/dbraw/zinc/77/29/77/602772977.db2.gz	FMCLEQKLAZJMHX-WMLDXEAASA-N	-1	0	363.458	2.306	20	10		FECDRM
O=C([O-])N1CCC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740448558	602840011	/nfs/dbraw/zinc/84/00/11/602840011.db2.gz	UNBNJWFKHQHMPI-MRXNPFEDSA-N	-1	0	358.442	2.252	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)c1	ZINC000739926121	602979489	/nfs/dbraw/zinc/97/94/89/602979489.db2.gz	ZKHFCQUFGZHMJB-RYUDHWBXSA-N	-1	0	351.403	2.294	20	10		FECDRM
Cc1onc(N)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000809846382	674516064	/nfs/dbraw/zinc/51/60/64/674516064.db2.gz	HRXASQSWBRPHSR-UHFFFAOYSA-N	-1	0	352.199	2.056	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CCc2ccncc2)NC(=O)[O-])cc1	ZINC000828064663	603029714	/nfs/dbraw/zinc/02/97/14/603029714.db2.gz	VPCNOUAEEVYXOW-QGZVFWFLSA-N	-1	0	356.426	2.205	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000739765985	603405403	/nfs/dbraw/zinc/40/54/03/603405403.db2.gz	XUAGZZJCGDWFBO-IKHFIWMDSA-N	-1	0	363.370	2.263	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000828359807	603741834	/nfs/dbraw/zinc/74/18/34/603741834.db2.gz	GHSZBWAOZYCZHU-UHFFFAOYSA-N	-1	0	361.442	2.014	20	10		FECDRM
O=C([O-])N(CC(=O)NCc1c(O)ccc2c1CCCC2)C[C@H]1CCCO1	ZINC000831473611	603930104	/nfs/dbraw/zinc/93/01/04/603930104.db2.gz	DMTXKBONXCXAPG-CQSZACIVSA-N	-1	0	362.426	2.046	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCc3n[nH]cc32)NC(=O)[O-])cc1	ZINC000828055033	603993794	/nfs/dbraw/zinc/99/37/94/603993794.db2.gz	BUNFPYGQNVHTHZ-WMLDXEAASA-N	-1	0	371.441	2.021	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCc3n[nH]cc32)NC(=O)[O-])cc1	ZINC000828055035	603993881	/nfs/dbraw/zinc/99/38/81/603993881.db2.gz	BUNFPYGQNVHTHZ-YOEHRIQHSA-N	-1	0	371.441	2.021	20	10		FECDRM
COc1cccc(CNC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)c1O	ZINC000829560777	604129308	/nfs/dbraw/zinc/12/93/08/604129308.db2.gz	UEJINECDRFYSKK-AWEZNQCLSA-N	-1	0	365.430	2.417	20	10		FECDRM
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000827052316	604662516	/nfs/dbraw/zinc/66/25/16/604662516.db2.gz	QODDOUYYYVJHKS-KRWDZBQOSA-N	-1	0	363.458	2.260	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2csnc2C(=O)[O-])cc1	ZINC000833654366	605019368	/nfs/dbraw/zinc/01/93/68/605019368.db2.gz	MGCXOCYGPNGRQW-UHFFFAOYSA-N	-1	0	369.468	2.166	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000833733947	605034001	/nfs/dbraw/zinc/03/40/01/605034001.db2.gz	WJJKRIJHTUEDEC-QMMMGPOBSA-N	-1	0	357.409	2.200	20	10		FECDRM
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1NC(=O)[O-]	ZINC000833846211	605370092	/nfs/dbraw/zinc/37/00/92/605370092.db2.gz	GIGZGCCMDYJALY-HIFRSBDPSA-N	-1	0	366.437	2.469	20	10		FECDRM
O=C([O-])N[C@H](CC(=O)NCCc1ccc(O)c(O)c1)Cc1ccccc1	ZINC000834124407	605711024	/nfs/dbraw/zinc/71/10/24/605711024.db2.gz	GEVPQBXLNSBRNN-HNNXBMFYSA-N	-1	0	358.394	2.026	20	10		FECDRM
COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc3nonc32)c1C	ZINC000811710024	674621917	/nfs/dbraw/zinc/62/19/17/674621917.db2.gz	XRKIFEODADPHPT-UHFFFAOYSA-N	-1	0	365.342	2.258	20	10		FECDRM
CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000161859769	672299953	/nfs/dbraw/zinc/29/99/53/672299953.db2.gz	CGVWRLOVGMFQNA-UHFFFAOYSA-N	-1	0	360.395	2.163	20	10		FECDRM
CN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000708145639	673065021	/nfs/dbraw/zinc/06/50/21/673065021.db2.gz	JOWNSWMWGIGWHK-SNVBAGLBSA-N	-1	0	368.680	2.427	20	10		FECDRM
O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c(Cl)cc2N1	ZINC000728014981	673190066	/nfs/dbraw/zinc/19/00/66/673190066.db2.gz	KBPCIRRFADNHDP-UHFFFAOYSA-N	-1	0	366.782	2.364	20	10		FECDRM
COc1c(O)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000825124682	675637682	/nfs/dbraw/zinc/63/76/82/675637682.db2.gz	WAFBPIBWTWOIIQ-ZANVPECISA-N	-1	0	350.293	2.054	20	10		FECDRM
COC(=O)c1ncccc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C	ZINC000829935931	677018477	/nfs/dbraw/zinc/01/84/77/677018477.db2.gz	ZDUFCZYNCKBYJW-UHFFFAOYSA-N	-1	0	366.395	2.162	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cn1C	ZINC000761995941	680737040	/nfs/dbraw/zinc/73/70/40/680737040.db2.gz	PXFVYZFKVGYKHB-UHFFFAOYSA-N	-1	0	368.411	2.105	20	10		FECDRM
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765053039	680829001	/nfs/dbraw/zinc/82/90/01/680829001.db2.gz	RRWPGIROXZKAOR-UHFFFAOYSA-N	-1	0	360.395	2.163	20	10		FECDRM
O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccccc1O	ZINC000748349189	679953709	/nfs/dbraw/zinc/95/37/09/679953709.db2.gz	BNMWSHBWHOVTAV-UHFFFAOYSA-N	-1	0	355.419	2.097	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000753522857	680302108	/nfs/dbraw/zinc/30/21/08/680302108.db2.gz	UXWRFWULMGMVOQ-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])cc1F	ZINC000756359643	680474576	/nfs/dbraw/zinc/47/45/76/680474576.db2.gz	CZROMJQTPLALRS-OAHLLOKOSA-N	-1	0	350.302	2.364	20	10		FECDRM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1C	ZINC000757654825	680530469	/nfs/dbraw/zinc/53/04/69/680530469.db2.gz	HEJRUAKUOYXEFX-UHFFFAOYSA-N	-1	0	364.379	2.158	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000757656874	680530791	/nfs/dbraw/zinc/53/07/91/680530791.db2.gz	PGLBUUCHUBTZPH-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766048781	680864456	/nfs/dbraw/zinc/86/44/56/680864456.db2.gz	WDVNXNPYSHWBCO-UHFFFAOYSA-N	-1	0	367.379	2.392	20	10		FECDRM
O=C([O-])CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000842571106	680952707	/nfs/dbraw/zinc/95/27/07/680952707.db2.gz	QBHOZUXWNOCTFO-UHFFFAOYSA-N	-1	0	360.332	2.023	20	10		FECDRM
O=C([O-])Cc1cccc(S(=O)(=O)NCCCSc2nccs2)c1	ZINC000844886496	681089859	/nfs/dbraw/zinc/08/98/59/681089859.db2.gz	QVSZVBQNQRILCF-UHFFFAOYSA-N	-1	0	372.493	2.231	20	10		FECDRM
C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(N(C)C)cc1	ZINC000844884772	681089870	/nfs/dbraw/zinc/08/98/70/681089870.db2.gz	DSYRMNBGMPFRLH-CYBMUJFWSA-N	-1	0	362.451	2.419	20	10		FECDRM
O=c1ccc2cc(S(=O)(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)ccc2o1	ZINC000775285777	681291931	/nfs/dbraw/zinc/29/19/31/681291931.db2.gz	BNZKKQKGFHRRMY-UHFFFAOYSA-N	-1	0	362.319	2.208	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848585265	681583486	/nfs/dbraw/zinc/58/34/86/681583486.db2.gz	JHXOXUUDNAAEGG-SECBINFHSA-N	-1	0	359.220	2.407	20	10		FECDRM
CC(C)[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)[O-]	ZINC000848590313	681585045	/nfs/dbraw/zinc/58/50/45/681585045.db2.gz	LMHGWEGBPDLCDJ-LLVKDONJSA-N	-1	0	359.220	2.311	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(O[C@@H]3CCOC3)cc2)SC1=S	ZINC000849177141	681663824	/nfs/dbraw/zinc/66/38/24/681663824.db2.gz	ZPXMWIIRSYTNPE-BFTHVDOESA-N	-1	0	365.432	2.140	20	10		FECDRM
CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1)C1CCCCC1	ZINC000849307990	681682302	/nfs/dbraw/zinc/68/23/02/681682302.db2.gz	KZRCRYZBCWSUDC-HNNXBMFYSA-N	-1	0	357.428	2.427	20	10		FECDRM
CC(C)CN(CC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780443632	681828144	/nfs/dbraw/zinc/82/81/44/681828144.db2.gz	PEPGYAFVIRVHHD-UHFFFAOYSA-N	-1	0	365.499	2.492	20	10		FECDRM
CC(=O)[C@@H](C)OC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785411042	682295765	/nfs/dbraw/zinc/29/57/65/682295765.db2.gz	DDRIDLXMKHEIRG-SNVBAGLBSA-N	-1	0	369.420	2.389	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@]2(C)CC2(F)F)cc1	ZINC000853011081	682363226	/nfs/dbraw/zinc/36/32/26/682363226.db2.gz	SFJOQAIJQTVWBP-MRXNPFEDSA-N	-1	0	356.369	2.138	20	10		FECDRM
CC(C)(C)n1nnc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000854473976	682555542	/nfs/dbraw/zinc/55/55/42/682555542.db2.gz	HBXDDQMREPYVOS-UHFFFAOYSA-N	-1	0	358.229	2.299	20	10		FECDRM
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000790408935	682674340	/nfs/dbraw/zinc/67/43/40/682674340.db2.gz	HZEIISHCWMEOCP-UHFFFAOYSA-N	-1	0	367.379	2.055	20	10		FECDRM
O=[N+]([O-])c1ccc([O-])c(CNc2cccc(S(=O)(=O)NC3CC3)c2)c1	ZINC000792173988	682794220	/nfs/dbraw/zinc/79/42/20/682794220.db2.gz	AZJGEPIABFBUHY-UHFFFAOYSA-N	-1	0	363.395	2.353	20	10		FECDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000792702653	682828820	/nfs/dbraw/zinc/82/88/20/682828820.db2.gz	CDIDRNVHTQJOSA-UHFFFAOYSA-N	-1	0	373.477	2.318	20	10		FECDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cc(Cl)ccc1O	ZINC000857547633	682892532	/nfs/dbraw/zinc/89/25/32/682892532.db2.gz	NGESPULXMUDNBR-UHFFFAOYSA-N	-1	0	354.815	2.347	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1O	ZINC000797820145	683276133	/nfs/dbraw/zinc/27/61/33/683276133.db2.gz	IIEKESPVYYWABM-UHFFFAOYSA-N	-1	0	363.391	2.389	20	10		FECDRM
Cn1nnc2c1C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000927858941	683327335	/nfs/dbraw/zinc/32/73/35/683327335.db2.gz	QKWQORWHWGZQHV-JTQLQIEISA-N	-1	0	370.240	2.184	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)c(C)n1-c1ccccn1	ZINC000861164872	683361962	/nfs/dbraw/zinc/36/19/62/683361962.db2.gz	KQFOPEFDAHIOHP-UHFFFAOYSA-N	-1	0	369.393	2.346	20	10		FECDRM
CSCC[C@H](NC(N)=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000861728629	683461798	/nfs/dbraw/zinc/46/17/98/683461798.db2.gz	LQFQDZFFQVEUPT-JTQLQIEISA-N	-1	0	366.270	2.105	20	10		FECDRM
CCOc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)c1	ZINC000799924256	683511469	/nfs/dbraw/zinc/51/14/69/683511469.db2.gz	AYJOAERTWTVECE-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000863406099	683717195	/nfs/dbraw/zinc/71/71/95/683717195.db2.gz	UGSARRBBIPFAMY-UHFFFAOYSA-N	-1	0	354.388	2.267	20	10		FECDRM
O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(F)c1[O-]	ZINC000872341317	684938407	/nfs/dbraw/zinc/93/84/07/684938407.db2.gz	NDAUJASGAIOALE-UHFFFAOYSA-N	-1	0	370.377	2.308	20	10		FECDRM
CC[C@@H](C(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000911291940	685195582	/nfs/dbraw/zinc/19/55/82/685195582.db2.gz	LIYBNBUAHPDEAC-CQSZACIVSA-N	-1	0	356.369	2.484	20	10		FECDRM
Cc1cc(C)n(CCC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1	ZINC000911360639	685203179	/nfs/dbraw/zinc/20/31/79/685203179.db2.gz	XIRZGCNSGRTZOP-UHFFFAOYSA-N	-1	0	365.817	2.362	20	10		FECDRM
O=C(C1CC1)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000893903033	689425865	/nfs/dbraw/zinc/42/58/65/689425865.db2.gz	NZOOHQQWEKVXIC-UHFFFAOYSA-N	-1	0	357.223	2.348	20	10		FECDRM
COC(=O)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H](C)O1	ZINC000895140347	689666676	/nfs/dbraw/zinc/66/66/76/689666676.db2.gz	QJCPIXFTQKNETC-UFBFGSQYSA-N	-1	0	362.195	2.056	20	10		FECDRM
Cc1cc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910147389	691894468	/nfs/dbraw/zinc/89/44/68/691894468.db2.gz	RDDIAMYACHTUBW-AWEZNQCLSA-N	-1	0	359.451	2.379	20	10		FECDRM
C[C@H]([C@H](C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])S(C)(=O)=O	ZINC000093420497	542931449	/nfs/dbraw/zinc/93/14/49/542931449.db2.gz	GBYBDVBLHSFPSU-DTWKUNHWSA-N	-1	0	350.824	2.207	20	10		FECDRM
CCOc1ccc(CN2CCN(C(=O)c3cccc(O)c3O)CC2)cc1	ZINC000192918205	548376941	/nfs/dbraw/zinc/37/69/41/548376941.db2.gz	WVMNLKQGFQCYEN-UHFFFAOYSA-N	-1	0	356.422	2.455	20	10		FECDRM
CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000278631518	550806397	/nfs/dbraw/zinc/80/63/97/550806397.db2.gz	IFYINMNTKXFDJV-GFCCVEGCSA-N	-1	0	362.835	2.353	20	10		FECDRM
CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cccc(Cl)c2[O-])cn1	ZINC000290297827	552456043	/nfs/dbraw/zinc/45/60/43/552456043.db2.gz	AZEPZPJNTICVRM-OAHLLOKOSA-N	-1	0	369.874	2.234	20	10		FECDRM
COCc1nc([C@@H]2COCCN2Cc2c([O-])ccc(Cl)c2F)no1	ZINC000370622086	556923065	/nfs/dbraw/zinc/92/30/65/556923065.db2.gz	KQNDIKRLCXBRBA-NSHDSACASA-N	-1	0	357.769	2.288	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@H]1Cc2cc(Cl)ccc2O1	ZINC000371055815	557060809	/nfs/dbraw/zinc/06/08/09/557060809.db2.gz	PSHGGCPTURXVFQ-CMPLNLGQSA-N	-1	0	357.815	2.171	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCCS1(=O)=O	ZINC000807839944	674431289	/nfs/dbraw/zinc/43/12/89/674431289.db2.gz	NIVSIADVAFPUNP-NSHDSACASA-N	-1	0	352.239	2.283	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F	ZINC000737094196	599977505	/nfs/dbraw/zinc/97/75/05/599977505.db2.gz	LDDUTVQBOLJHQI-UHFFFAOYSA-N	-1	0	370.402	2.442	20	10		FECDRM
Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-]	ZINC000738378808	600024636	/nfs/dbraw/zinc/02/46/36/600024636.db2.gz	JXAPOXQKYRFBPR-MHWRWJLKSA-N	-1	0	366.373	2.228	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(CC(=O)[O-])cs2)c1	ZINC000738042429	600107864	/nfs/dbraw/zinc/10/78/64/600107864.db2.gz	VHAIVDCILWNYHX-QMMMGPOBSA-N	-1	0	351.384	2.367	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)NC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000736821983	600156405	/nfs/dbraw/zinc/15/64/05/600156405.db2.gz	BLMUKVGHGKQDQD-TXEJJXNPSA-N	-1	0	367.421	2.102	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000738401336	600202358	/nfs/dbraw/zinc/20/23/58/600202358.db2.gz	AUDHHCKYKKUYIS-UHFFFAOYSA-N	-1	0	370.409	2.406	20	10		FECDRM
CNc1cc2c(nn1)CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737560825	600214448	/nfs/dbraw/zinc/21/44/48/600214448.db2.gz	BJLNQOOCPBBUIK-HWKANZROSA-N	-1	0	355.354	2.087	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])c1	ZINC000739625817	600214721	/nfs/dbraw/zinc/21/47/21/600214721.db2.gz	RKXKRCIKWHWUNC-FNORWQNLSA-N	-1	0	369.381	2.199	20	10		FECDRM
C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(N2CCOCC2)cc1	ZINC000736648484	600530118	/nfs/dbraw/zinc/53/01/18/600530118.db2.gz	YYMRGRYBZNFTAZ-CYBMUJFWSA-N	-1	0	373.409	2.375	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000832910098	600654153	/nfs/dbraw/zinc/65/41/53/600654153.db2.gz	MUYUIQANOPWACP-AWEZNQCLSA-N	-1	0	358.394	2.149	20	10		FECDRM
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccn(CC(=O)[O-])n2)cc1	ZINC000829683740	601055385	/nfs/dbraw/zinc/05/53/85/601055385.db2.gz	COHFBDYUHILLQQ-UHFFFAOYSA-N	-1	0	359.430	2.478	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1	ZINC000830635854	601975337	/nfs/dbraw/zinc/97/53/37/601975337.db2.gz	RYEJONJBENGQIV-UHFFFAOYSA-N	-1	0	366.414	2.411	20	10		FECDRM
C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000827645332	602064303	/nfs/dbraw/zinc/06/43/03/602064303.db2.gz	JKNOBIFEMPXKQI-AUUYWEPGSA-N	-1	0	361.442	2.090	20	10		FECDRM
COc1ccc(N2CCN(C(=O)C3CCC(NC(=O)[O-])CC3)CC2)cc1	ZINC000739910689	602335091	/nfs/dbraw/zinc/33/50/91/602335091.db2.gz	QYWOHAHYEKOKRM-UHFFFAOYSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000830830355	602361781	/nfs/dbraw/zinc/36/17/81/602361781.db2.gz	ABUOQFMFQFHVPH-UHFFFAOYSA-N	-1	0	372.425	2.224	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739925339	602419740	/nfs/dbraw/zinc/41/97/40/602419740.db2.gz	LZPRIJMWXWIPSC-RYUDHWBXSA-N	-1	0	351.403	2.151	20	10		FECDRM
CN1CCCc2cc(CNC(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000739731219	602709745	/nfs/dbraw/zinc/70/97/45/602709745.db2.gz	MLSWUMCYCCWOEA-CQSZACIVSA-N	-1	0	360.458	2.258	20	10		FECDRM
CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1	ZINC000809725500	674507315	/nfs/dbraw/zinc/50/73/15/674507315.db2.gz	UYZKRHWLSRKCLZ-SNVBAGLBSA-N	-1	0	350.843	2.041	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000739709660	602830264	/nfs/dbraw/zinc/83/02/64/602830264.db2.gz	INZPHCYZQBFQPY-QGZVFWFLSA-N	-1	0	361.442	2.014	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cncc(F)c2)NC(=O)[O-])cc1	ZINC000828064832	603026311	/nfs/dbraw/zinc/02/63/11/603026311.db2.gz	ZNJYHSBNDBNFDX-MGEKVANASA-N	-1	0	372.400	2.425	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)n[nH]2)NC(=O)[O-])cc1	ZINC000828064177	603027858	/nfs/dbraw/zinc/02/78/58/603027858.db2.gz	NJOQQFAQZGSJLN-INIZCTEOSA-N	-1	0	357.414	2.092	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2[nH]nc3ccccc32)NC(=O)[O-])cc1	ZINC000828064110	603032875	/nfs/dbraw/zinc/03/28/75/603032875.db2.gz	LHEZBGQXAZDWDI-INIZCTEOSA-N	-1	0	367.409	2.368	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccc3n[nH]cc32)NC(=O)[O-])cc1	ZINC000828064597	603034704	/nfs/dbraw/zinc/03/47/04/603034704.db2.gz	UFBIHWIMTRQEJB-QGZVFWFLSA-N	-1	0	367.409	2.368	20	10		FECDRM
CN(C)c1ccc(CN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)C2CC2)cc1	ZINC000739616509	603130677	/nfs/dbraw/zinc/13/06/77/603130677.db2.gz	DIFDPUWLVPORDM-QGZVFWFLSA-N	-1	0	360.458	2.473	20	10		FECDRM
O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2	ZINC000831715088	604175048	/nfs/dbraw/zinc/17/50/48/604175048.db2.gz	MAWAVUYIKKWSCD-MSOLQXFVSA-N	-1	0	370.453	2.489	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000833733591	605036350	/nfs/dbraw/zinc/03/63/50/605036350.db2.gz	KTXIZFNVGRVZPM-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Br)ccc2O)CCO1	ZINC000833820501	605676169	/nfs/dbraw/zinc/67/61/69/605676169.db2.gz	RUVIXQZMONRTSB-NOZJJQNGSA-N	-1	0	359.220	2.012	20	10		FECDRM
O=C([O-])Nc1ccccc1CC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000834274451	606052843	/nfs/dbraw/zinc/05/28/43/606052843.db2.gz	NCMMCRBGBWSVAO-UHFFFAOYSA-N	-1	0	369.421	2.472	20	10		FECDRM
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1O	ZINC000096482332	670760859	/nfs/dbraw/zinc/76/08/59/670760859.db2.gz	IZLFXYBPNSYJFI-DHZHZOJOSA-N	-1	0	353.421	2.467	20	10		FECDRM
C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000123334957	671978287	/nfs/dbraw/zinc/97/82/87/671978287.db2.gz	HVIFMZUSDRTPMZ-NSHDSACASA-N	-1	0	372.296	2.484	20	10		FECDRM
Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)sc1C(=O)[O-]	ZINC000184885675	672509991	/nfs/dbraw/zinc/50/99/91/672509991.db2.gz	MRUYBDLDOZGEBX-UHFFFAOYSA-N	-1	0	354.453	2.299	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c([N+](=O)[O-])c1	ZINC000743259512	673754005	/nfs/dbraw/zinc/75/40/05/673754005.db2.gz	BTXOMLBDOBZZJV-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)ccc1O	ZINC000830018339	677021762	/nfs/dbraw/zinc/02/17/62/677021762.db2.gz	IQFYNLFJRVDEKP-UHFFFAOYSA-N	-1	0	373.818	2.065	20	10		FECDRM
[O-]c1c(Br)cccc1CN1CCN(c2ncc(F)cn2)CC1	ZINC000761225538	680715567	/nfs/dbraw/zinc/71/55/67/680715567.db2.gz	IVBCIDOVZXAJNH-UHFFFAOYSA-N	-1	0	367.222	2.406	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1	ZINC000761970104	680736191	/nfs/dbraw/zinc/73/61/91/680736191.db2.gz	PMWVPRASNZQKLP-UHFFFAOYSA-N	-1	0	360.750	2.167	20	10		FECDRM
COc1cc(OC)c([N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000765101254	680831329	/nfs/dbraw/zinc/83/13/29/680831329.db2.gz	HMSNKAKKGSWFDI-UHFFFAOYSA-N	-1	0	353.331	2.180	20	10		FECDRM
C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-]	ZINC000756776550	680497309	/nfs/dbraw/zinc/49/73/09/680497309.db2.gz	PXSLEUSOVZYJPR-OQPBUACISA-N	-1	0	358.211	2.412	20	10		FECDRM
COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1	ZINC000775673526	681322832	/nfs/dbraw/zinc/32/28/32/681322832.db2.gz	WHAVFUKJZQDIRE-UHFFFAOYSA-N	-1	0	364.423	2.038	20	10		FECDRM
COC(=O)c1cn(C2CN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1	ZINC000779613112	681730783	/nfs/dbraw/zinc/73/07/83/681730783.db2.gz	FRYKROJVUFENNQ-UHFFFAOYSA-N	-1	0	357.197	2.134	20	10		FECDRM
COCc1nnc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])[n-]1	ZINC000850515288	681911139	/nfs/dbraw/zinc/91/11/39/681911139.db2.gz	VUBLFLCWVLSQBA-SSDOTTSWSA-N	-1	0	359.199	2.409	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC(F)(F)C(C)(C)C)cc1	ZINC000853010184	682363454	/nfs/dbraw/zinc/36/34/54/682363454.db2.gz	XQWWDTBKVYEMAZ-UHFFFAOYSA-N	-1	0	358.385	2.384	20	10		FECDRM
O=C([O-])c1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1Cl	ZINC000787167671	682438156	/nfs/dbraw/zinc/43/81/56/682438156.db2.gz	FASHGKFHCCAPBO-DHZHZOJOSA-N	-1	0	352.799	2.341	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1F	ZINC000790402183	682673989	/nfs/dbraw/zinc/67/39/89/682673989.db2.gz	CQLPZFGQLJPZQI-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	ZINC000922356061	683704414	/nfs/dbraw/zinc/70/44/14/683704414.db2.gz	QSMNKDRWTNFUJB-LBPRGKRZSA-N	-1	0	368.865	2.053	20	10		FECDRM
CS(=O)(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1C(F)(F)F	ZINC000864049806	683798013	/nfs/dbraw/zinc/79/80/13/683798013.db2.gz	LPQQUZTWRREOBD-PSASIEDQSA-N	-1	0	359.316	2.078	20	10		FECDRM
Cn1nc2c(c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O)CCCC2	ZINC000864362680	683842602	/nfs/dbraw/zinc/84/26/02/683842602.db2.gz	IWDSBEIQPZAZEX-LCYFTJDESA-N	-1	0	365.480	2.365	20	10		FECDRM
CCn1nc(C)cc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911359564	685202369	/nfs/dbraw/zinc/20/23/69/685202369.db2.gz	AQQALXUWEUEFFJ-UHFFFAOYSA-N	-1	0	351.790	2.297	20	10		FECDRM
Cc1c(CCC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cnn1C	ZINC000911360385	685202960	/nfs/dbraw/zinc/20/29/60/685202960.db2.gz	RARJZKPFNNSTIE-UHFFFAOYSA-N	-1	0	365.817	2.134	20	10		FECDRM
C[C@@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1=O	ZINC000911360560	685203004	/nfs/dbraw/zinc/20/30/04/685203004.db2.gz	UWMFGZZQMHAWAQ-GHMZBOCLSA-N	-1	0	353.802	2.464	20	10		FECDRM
O=S1(=O)C[C@H]2CN(Cc3cccc(Br)c3[O-])CC[C@@H]2C1	ZINC000877789542	686460436	/nfs/dbraw/zinc/46/04/36/686460436.db2.gz	BSRTYVIYZWIJEX-VXGBXAGGSA-N	-1	0	360.273	2.021	20	10		FECDRM
C[C@H](NCc1cc(Br)cc(F)c1[O-])c1nnnn1C1CC1	ZINC000883102399	687565304	/nfs/dbraw/zinc/56/53/04/687565304.db2.gz	OWBKAHQIIVGAJJ-ZETCQYMHSA-N	-1	0	356.199	2.466	20	10		FECDRM
CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(F)cc(F)c1[O-])C2	ZINC000894689771	689578972	/nfs/dbraw/zinc/57/89/72/689578972.db2.gz	IBEOVWQOSCRIME-UHFFFAOYSA-N	-1	0	368.405	2.137	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCN([C@H]2CCOC2)CC1	ZINC000895258434	689686291	/nfs/dbraw/zinc/68/62/91/689686291.db2.gz	CVKGQZIHFVUZRA-ZDUSSCGKSA-N	-1	0	359.239	2.200	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccnn3C3CCC3)n2)cn1	ZINC000903605769	690937299	/nfs/dbraw/zinc/93/72/99/690937299.db2.gz	DCNIBNVYUYWVEC-UHFFFAOYSA-N	-1	0	364.456	2.266	20	10		FECDRM
COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000047383516	540306323	/nfs/dbraw/zinc/30/63/23/540306323.db2.gz	WOHRRHVGTSNYKA-UHFFFAOYSA-N	-1	0	367.383	2.418	20	10		FECDRM
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805246903	674327449	/nfs/dbraw/zinc/32/74/49/674327449.db2.gz	RZUVDDYZPOZJBG-PWSUYJOCSA-N	-1	0	360.241	2.413	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCCC1	ZINC000176939702	546511492	/nfs/dbraw/zinc/51/14/92/546511492.db2.gz	OPWZMYDLJDNBOO-UHFFFAOYSA-N	-1	0	352.437	2.491	20	10		FECDRM
O=S(=O)([N-]c1ccccc1-c1nc[nH]n1)c1cccc2nsnc21	ZINC000556709095	568250256	/nfs/dbraw/zinc/25/02/56/568250256.db2.gz	XYPFADJLUAUOQF-UHFFFAOYSA-N	-1	0	358.408	2.277	20	10		FECDRM
O=C([O-])c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	ZINC000819188596	597216265	/nfs/dbraw/zinc/21/62/65/597216265.db2.gz	WPNNVZMXCFPEQB-UHFFFAOYSA-N	-1	0	369.421	2.221	20	10		FECDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1	ZINC000821544211	598154920	/nfs/dbraw/zinc/15/49/20/598154920.db2.gz	KGGWOZIBLVFTGS-UHFFFAOYSA-N	-1	0	358.369	2.291	20	10		FECDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	ZINC000821544711	598157813	/nfs/dbraw/zinc/15/78/13/598157813.db2.gz	VBJNTYQPCIMFLS-UHFFFAOYSA-N	-1	0	372.396	2.415	20	10		FECDRM
CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000808116854	674442091	/nfs/dbraw/zinc/44/20/91/674442091.db2.gz	DYCXICPRBNNBSA-UHFFFAOYSA-N	-1	0	360.395	2.116	20	10		FECDRM
COc1cccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1O	ZINC000738104744	599903052	/nfs/dbraw/zinc/90/30/52/599903052.db2.gz	OZKZHKXFOJEZKZ-UHFFFAOYSA-N	-1	0	354.362	2.370	20	10		FECDRM
CC(C)c1nnc2n1CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000736536916	599967403	/nfs/dbraw/zinc/96/74/03/599967403.db2.gz	CPXAZJWTAXRRGX-XQRVVYSFSA-N	-1	0	357.370	2.428	20	10		FECDRM
CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1	ZINC000737551662	600192378	/nfs/dbraw/zinc/19/23/78/600192378.db2.gz	JYWNFAJWPRSEIR-BQYQJAHWSA-N	-1	0	365.389	2.132	20	10		FECDRM
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1	ZINC000737553233	600850660	/nfs/dbraw/zinc/85/06/60/600850660.db2.gz	XJQLQJPRWBBRKI-LQYUOIDQSA-N	-1	0	365.389	2.060	20	10		FECDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000833184065	600897504	/nfs/dbraw/zinc/89/75/04/600897504.db2.gz	NDGDJKNMOVLWPJ-CABCVRRESA-N	-1	0	364.417	2.170	20	10		FECDRM
Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n2nc(C(=O)[O-])nc2n1	ZINC000832887945	601250504	/nfs/dbraw/zinc/25/05/04/601250504.db2.gz	BDODACKBTLSLRU-UHFFFAOYSA-N	-1	0	366.425	2.366	20	10		FECDRM
CC1(C)CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCS1(=O)=O	ZINC000828074975	601638237	/nfs/dbraw/zinc/63/82/37/601638237.db2.gz	WVLBJHSYCFZSKK-UHFFFAOYSA-N	-1	0	363.435	2.253	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC(OCCCO)CC2)c([N+](=O)[O-])c1	ZINC000833195616	601688708	/nfs/dbraw/zinc/68/87/08/601688708.db2.gz	HBSACSIXHQJWHE-HYXAFXHYSA-N	-1	0	350.371	2.060	20	10		FECDRM
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	ZINC000739730258	602148923	/nfs/dbraw/zinc/14/89/23/602148923.db2.gz	JEQVOGDIFKRWEO-MRXNPFEDSA-N	-1	0	360.458	2.353	20	10		FECDRM
CN(C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1)C(=O)[O-]	ZINC000739648315	602626290	/nfs/dbraw/zinc/62/62/90/602626290.db2.gz	FCXKXXRPORUUKF-OAHLLOKOSA-N	-1	0	360.458	2.210	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CCc2nccs2)NC(=O)[O-])cc1	ZINC000828063983	603030743	/nfs/dbraw/zinc/03/07/43/603030743.db2.gz	KVPHZAZGYYGAGI-AWEZNQCLSA-N	-1	0	362.455	2.267	20	10		FECDRM
C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000825178362	603070406	/nfs/dbraw/zinc/07/04/06/603070406.db2.gz	RNECIUMMCRMOBM-MNOVXSKESA-N	-1	0	357.357	2.029	20	10		FECDRM
COc1ccc(O)c(CNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c1	ZINC000739929351	603167678	/nfs/dbraw/zinc/16/76/78/603167678.db2.gz	DWFSCQPHZNSNSL-OAHLLOKOSA-N	-1	0	365.430	2.417	20	10		FECDRM
CCN(CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)[O-]	ZINC000739391371	603389722	/nfs/dbraw/zinc/38/97/22/603389722.db2.gz	DMHNOVUGBPFHGD-UHFFFAOYSA-N	-1	0	371.384	2.373	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSCCS2)NC(=O)[O-])cc1	ZINC000828056931	603462404	/nfs/dbraw/zinc/46/24/04/603462404.db2.gz	WUNWQKXLDOCNRM-KBPBESRZSA-N	-1	0	369.512	2.026	20	10		FECDRM
O=C([O-])C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000833210477	604495410	/nfs/dbraw/zinc/49/54/10/604495410.db2.gz	SHUVDCRROKLDDQ-INIZCTEOSA-N	-1	0	363.483	2.389	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000829484142	604581318	/nfs/dbraw/zinc/58/13/18/604581318.db2.gz	PTKGFGYDSAQYHB-CHWSQXEVSA-N	-1	0	350.415	2.433	20	10		FECDRM
CC(C)[C@@H](CCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)NC(=O)[O-]	ZINC000824105544	604833397	/nfs/dbraw/zinc/83/33/97/604833397.db2.gz	XPUIOUSPJJKJKW-SNVBAGLBSA-N	-1	0	366.374	2.044	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1F	ZINC000739414454	605101148	/nfs/dbraw/zinc/10/11/48/605101148.db2.gz	MKDIPXNUERJNIQ-ZDUSSCGKSA-N	-1	0	352.410	2.223	20	10		FECDRM
CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1	ZINC000833691650	605437804	/nfs/dbraw/zinc/43/78/04/605437804.db2.gz	RGPAEYOHDZIJLA-UHFFFAOYSA-N	-1	0	373.365	2.157	20	10		FECDRM
O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000834183588	605710646	/nfs/dbraw/zinc/71/06/46/605710646.db2.gz	LURICIRDZQGLMM-KBPBESRZSA-N	-1	0	350.415	2.363	20	10		FECDRM
Cc1cc(Br)c(O)c(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c1	ZINC000833897326	605912833	/nfs/dbraw/zinc/91/28/33/605912833.db2.gz	IIDWFQLLKYCGKT-GWCFXTLKSA-N	-1	0	373.247	2.320	20	10		FECDRM
C=C=CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000816699115	675074116	/nfs/dbraw/zinc/07/41/16/675074116.db2.gz	ZAJKBJVFYXIINB-UHFFFAOYSA-N	-1	0	350.421	2.325	20	10		FECDRM
O=S(=O)([N-]c1ccccc1-n1cncn1)c1cccc2nsnc21	ZINC000028020516	670084648	/nfs/dbraw/zinc/08/46/48/670084648.db2.gz	WRCGWXPFXFPEAR-UHFFFAOYSA-N	-1	0	358.408	2.073	20	10		FECDRM
O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1	ZINC000055679160	670353946	/nfs/dbraw/zinc/35/39/46/670353946.db2.gz	ADOSJHPMYVQDLK-UHFFFAOYSA-N	-1	0	362.407	2.022	20	10		FECDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000113698436	670887626	/nfs/dbraw/zinc/88/76/26/670887626.db2.gz	BTBIMCJZIMLCDK-CQSZACIVSA-N	-1	0	364.467	2.497	20	10		FECDRM
COCc1nc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2o1	ZINC000129305799	672060386	/nfs/dbraw/zinc/06/03/86/672060386.db2.gz	OXAAEJBIOMLZRF-UHFFFAOYSA-N	-1	0	360.351	2.311	20	10		FECDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C	ZINC000184970063	672514320	/nfs/dbraw/zinc/51/43/20/672514320.db2.gz	VDMHUHWZXJBNQY-UHFFFAOYSA-N	-1	0	364.423	2.147	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F	ZINC000184968681	672514641	/nfs/dbraw/zinc/51/46/41/672514641.db2.gz	JMTJNICWBJUWRM-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000715766018	673073588	/nfs/dbraw/zinc/07/35/88/673073588.db2.gz	LXPJJJQABVYNLN-LLVKDONJSA-N	-1	0	366.252	2.303	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000736682147	673536391	/nfs/dbraw/zinc/53/63/91/673536391.db2.gz	KUOKTXVXWCERMA-UHFFFAOYSA-N	-1	0	356.787	2.375	20	10		FECDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C	ZINC000761995315	680737025	/nfs/dbraw/zinc/73/70/25/680737025.db2.gz	LMKZSOQNPNRHNL-UHFFFAOYSA-N	-1	0	372.424	2.223	20	10		FECDRM
Cn1ncc2c1nc(NCc1cccc(Br)c1[O-])[nH]c2=O	ZINC000764934815	680824753	/nfs/dbraw/zinc/82/47/53/680824753.db2.gz	MUDSENWANLSETB-UHFFFAOYSA-N	-1	0	350.176	2.149	20	10		FECDRM
COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765027031	680827784	/nfs/dbraw/zinc/82/77/84/680827784.db2.gz	FMXAOBLIDMIMDH-UHFFFAOYSA-N	-1	0	367.770	2.464	20	10		FECDRM
COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2COC)c1	ZINC000840918010	680853057	/nfs/dbraw/zinc/85/30/57/680853057.db2.gz	NVCHHMVNLBBMKM-UHFFFAOYSA-N	-1	0	367.423	2.494	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@H]2C2CCC2)c1[O-]	ZINC000840956481	680856997	/nfs/dbraw/zinc/85/69/97/680856997.db2.gz	SQAOSTDMDNYUBB-AWEZNQCLSA-N	-1	0	374.846	2.353	20	10		FECDRM
CN(C)c1cccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1	ZINC000755085860	680398031	/nfs/dbraw/zinc/39/80/31/680398031.db2.gz	SSCXWEOWEYLXMV-UHFFFAOYSA-N	-1	0	363.468	2.410	20	10		FECDRM
Cc1nc(CNCc2ccc(N3CCOCC3)c(F)c2)sc1C(=O)[O-]	ZINC000756300373	680471554	/nfs/dbraw/zinc/47/15/54/680471554.db2.gz	KVEUZQVTUYFOKI-UHFFFAOYSA-N	-1	0	365.430	2.415	20	10		FECDRM
O=C([N-]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)C(F)F	ZINC000837708254	680638592	/nfs/dbraw/zinc/63/85/92/680638592.db2.gz	SFTCPOWRKWMPRU-UHFFFAOYSA-N	-1	0	356.266	2.318	20	10		FECDRM
O=C(N1CCCC1)N1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000768227576	680941383	/nfs/dbraw/zinc/94/13/83/680941383.db2.gz	QJSBHEIWTICMRQ-UHFFFAOYSA-N	-1	0	368.275	2.488	20	10		FECDRM
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C(=O)OC)C1	ZINC000780783584	681871134	/nfs/dbraw/zinc/87/11/34/681871134.db2.gz	HPLZJPYODYFCJU-NOZJJQNGSA-N	-1	0	359.781	2.111	20	10		FECDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C	ZINC000853121053	682378716	/nfs/dbraw/zinc/37/87/16/682378716.db2.gz	XPUSUVPEYRGORS-AWEZNQCLSA-N	-1	0	364.467	2.118	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1	ZINC000790411914	682674645	/nfs/dbraw/zinc/67/46/45/682674645.db2.gz	VJRCZACPQQFYFG-UHFFFAOYSA-N	-1	0	367.379	2.084	20	10		FECDRM
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCO2	ZINC000793349254	682884007	/nfs/dbraw/zinc/88/40/07/682884007.db2.gz	MQNLAQIHIKTXGQ-UHFFFAOYSA-N	-1	0	353.327	2.362	20	10		FECDRM
Cc1ncc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1C	ZINC000859159421	683048408	/nfs/dbraw/zinc/04/84/08/683048408.db2.gz	CXFSCEFIESXPIL-UHFFFAOYSA-N	-1	0	350.227	2.219	20	10		FECDRM
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1C	ZINC000797820435	683276495	/nfs/dbraw/zinc/27/64/95/683276495.db2.gz	XPIIDETWFZQQPX-UHFFFAOYSA-N	-1	0	368.411	2.323	20	10		FECDRM
C[C@H](NC(=O)NC1(C(=O)[O-])CCSCC1)c1ccc(N(C)C)cc1	ZINC000929042937	683538828	/nfs/dbraw/zinc/53/88/28/683538828.db2.gz	GPMYTWQSCSSZBK-LBPRGKRZSA-N	-1	0	351.472	2.463	20	10		FECDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	ZINC000929047061	683540041	/nfs/dbraw/zinc/54/00/41/683540041.db2.gz	YQZVJWHMRDOSGM-XJKSGUPXSA-N	-1	0	351.447	2.333	20	10		FECDRM
O=C([O-])c1cncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	ZINC000911226043	685185186	/nfs/dbraw/zinc/18/51/86/685185186.db2.gz	CGNOHFZNDSXEOP-UHFFFAOYSA-N	-1	0	357.435	2.263	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)COCC(F)(F)F	ZINC000911355309	685202002	/nfs/dbraw/zinc/20/20/02/685202002.db2.gz	WLUOFJNMVTYHBN-UHFFFAOYSA-N	-1	0	355.696	2.038	20	10		FECDRM
O=C([O-])C1(CC(=O)NCc2cc(Br)ccc2O)CCOCC1	ZINC000911555228	685224469	/nfs/dbraw/zinc/22/44/69/685224469.db2.gz	HNOQBRHBJMLSDP-UHFFFAOYSA-N	-1	0	372.215	2.042	20	10		FECDRM
CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(F)cc(F)c2[O-])cn1	ZINC000894556102	689554440	/nfs/dbraw/zinc/55/44/40/689554440.db2.gz	UHEDTZPKMSKIFI-OWJWWREXSA-N	-1	0	355.410	2.192	20	10		FECDRM
Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2c([O-])ccc(Cl)c2F)cn1	ZINC000895377779	689706385	/nfs/dbraw/zinc/70/63/85/689706385.db2.gz	HBSOQOHYFIQLRO-NPMABZOXSA-N	-1	0	357.838	2.224	20	10		FECDRM
C[S@](=N)(=O)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000895471481	689721963	/nfs/dbraw/zinc/72/19/63/689721963.db2.gz	XGTAJNQTYOVVRZ-HXUWFJFHSA-N	-1	0	366.256	2.003	20	10		FECDRM
NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1Cl	ZINC000031720972	539916902	/nfs/dbraw/zinc/91/69/02/539916902.db2.gz	NILQYWICSBESCY-UHFFFAOYSA-N	-1	0	368.827	2.244	20	10		FECDRM
Cc1nn(-c2ccccn2)c(C)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000801647295	674141479	/nfs/dbraw/zinc/14/14/79/674141479.db2.gz	IUTUDJBPOTWKBD-KPKJPENVSA-N	-1	0	374.447	2.170	20	10		FECDRM
C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000180631765	547145822	/nfs/dbraw/zinc/14/58/22/547145822.db2.gz	NOQNISBSNNISGK-CQSZACIVSA-N	-1	0	351.878	2.174	20	10		FECDRM
O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1cccc2nonc21	ZINC000268761446	550113649	/nfs/dbraw/zinc/11/36/49/550113649.db2.gz	HGBWSENUQMGIPR-ZDUSSCGKSA-N	-1	0	361.379	2.191	20	10		FECDRM
CC(=O)N1CCN(c2cccc(NC(=O)c3c([O-])cccc3F)c2)CC1	ZINC000275562944	550572943	/nfs/dbraw/zinc/57/29/43/550572943.db2.gz	MXAYDXWFTAZGTJ-UHFFFAOYSA-N	-1	0	357.385	2.452	20	10		FECDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c1	ZINC000277660659	550697946	/nfs/dbraw/zinc/69/79/46/550697946.db2.gz	MYMWJPQKUKSFBE-UHFFFAOYSA-N	-1	0	355.368	2.360	20	10		FECDRM
Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000286093534	551848025	/nfs/dbraw/zinc/84/80/25/551848025.db2.gz	SYBPEGCJJOSBKO-UHFFFAOYSA-N	-1	0	365.411	2.471	20	10		FECDRM
O=C(NCc1cccc(CN2CCCC2=O)c1)c1c(F)ccc(O)c1O	ZINC000294922185	552944407	/nfs/dbraw/zinc/94/44/07/552944407.db2.gz	TWCAHCZHHCSVMZ-UHFFFAOYSA-N	-1	0	358.369	2.289	20	10		FECDRM
CCOC(=O)c1cnn(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1	ZINC000296045000	553094924	/nfs/dbraw/zinc/09/49/24/553094924.db2.gz	MUMHRFVBCAOQNZ-UHFFFAOYSA-N	-1	0	373.409	2.257	20	10		FECDRM
O=C([O-])CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819484537	597224046	/nfs/dbraw/zinc/22/40/46/597224046.db2.gz	MIPBGEFLURHVFK-NSHDSACASA-N	-1	0	357.357	2.031	20	10		FECDRM
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H](O)CC(=O)[O-]	ZINC000737291507	600120933	/nfs/dbraw/zinc/12/09/33/600120933.db2.gz	ADWUDCZJDZPPTC-GFCCVEGCSA-N	-1	0	364.423	2.269	20	10		FECDRM
CC[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000736943597	600213895	/nfs/dbraw/zinc/21/38/95/600213895.db2.gz	PGZFJBVZBIELJI-ZKKXHLJNSA-N	-1	0	363.414	2.240	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000737494534	600310810	/nfs/dbraw/zinc/31/08/10/600310810.db2.gz	SKIRYAMNHMRIBW-UHFFFAOYSA-N	-1	0	362.769	2.341	20	10		FECDRM
COC(=O)c1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1C(=O)[O-]	ZINC000831424079	600662133	/nfs/dbraw/zinc/66/21/33/600662133.db2.gz	NSIRWXFHUOLIRG-UHFFFAOYSA-N	-1	0	374.349	2.207	20	10		FECDRM
Cc1oc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C(=O)[O-]	ZINC000833027131	601216405	/nfs/dbraw/zinc/21/64/05/601216405.db2.gz	PVAQKXOLIXOZEM-UHFFFAOYSA-N	-1	0	364.423	2.365	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC(O[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833195656	601435461	/nfs/dbraw/zinc/43/54/61/601435461.db2.gz	HWSUZFHJSKZCFG-HKLWWIALSA-N	-1	0	362.382	2.467	20	10		FECDRM
COc1ccc(N(C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1F	ZINC000832378771	602017003	/nfs/dbraw/zinc/01/70/03/602017003.db2.gz	SRKGXGDDFSFAIN-KRWDZBQOSA-N	-1	0	372.396	2.309	20	10		FECDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000828493491	602107223	/nfs/dbraw/zinc/10/72/23/602107223.db2.gz	FXZADEFPPFZWJO-JHJVBQTASA-N	-1	0	352.406	2.166	20	10		FECDRM
CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])cc1F	ZINC000739619288	602570856	/nfs/dbraw/zinc/57/08/56/602570856.db2.gz	VMEVFBKDIFHOEE-MRXNPFEDSA-N	-1	0	359.401	2.387	20	10		FECDRM
CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000739583741	602944140	/nfs/dbraw/zinc/94/41/40/602944140.db2.gz	KBNSCCZCJSFSCM-KRWDZBQOSA-N	-1	0	358.442	2.347	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2[nH]nc3ccccc32)NC(=O)[O-])cc1	ZINC000828064111	603032788	/nfs/dbraw/zinc/03/27/88/603032788.db2.gz	LHEZBGQXAZDWDI-MRXNPFEDSA-N	-1	0	367.409	2.368	20	10		FECDRM
COc1cccc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000829550490	603033566	/nfs/dbraw/zinc/03/35/66/603033566.db2.gz	NJQJAYFZSYBDTJ-SFHVURJKSA-N	-1	0	371.437	2.429	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])ccc21	ZINC000828488825	603844028	/nfs/dbraw/zinc/84/40/28/603844028.db2.gz	QDOXBSPPMXWGTA-CVEARBPZSA-N	-1	0	360.458	2.305	20	10		FECDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000832846126	604291564	/nfs/dbraw/zinc/29/15/64/604291564.db2.gz	UKYVLUYQEDIZLR-UHFFFAOYSA-N	-1	0	357.410	2.096	20	10		FECDRM
COc1cccc(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829560713	604581353	/nfs/dbraw/zinc/58/13/53/604581353.db2.gz	SYNRQYKGHYEGRO-GXTWGEPZSA-N	-1	0	350.415	2.433	20	10		FECDRM
O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCc1ccc(N2CCCCC2)cc1	ZINC000831387497	604780877	/nfs/dbraw/zinc/78/08/77/604780877.db2.gz	LDXFGNPDJRATEC-KRWDZBQOSA-N	-1	0	361.442	2.062	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000833696020	604951108	/nfs/dbraw/zinc/95/11/08/604951108.db2.gz	ZZOQLNHAQMVTNW-HXUWFJFHSA-N	-1	0	369.465	2.469	20	10		FECDRM
C[C@H](C(=O)NCC(F)(F)F)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000823686953	605465128	/nfs/dbraw/zinc/46/51/28/605465128.db2.gz	UCCLUYQNOHEXFP-SNVBAGLBSA-N	-1	0	359.348	2.274	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C[C@H]3CSCCN3C(=O)[O-])ccc21	ZINC000828488723	605629965	/nfs/dbraw/zinc/62/99/65/605629965.db2.gz	OYKZPKVYEYKWGU-HNNXBMFYSA-N	-1	0	363.483	2.171	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1	ZINC000833694962	605893818	/nfs/dbraw/zinc/89/38/18/605893818.db2.gz	GCKBXPOOPXQWKA-UHFFFAOYSA-N	-1	0	373.384	2.187	20	10		FECDRM
O=[N+]([O-])c1ccc2[nH]c(C(Cl)=CC3=S=C(c4nnn[n-]4)C=C3)nc2c1	ZINC000823643825	606389772	/nfs/dbraw/zinc/38/97/72/606389772.db2.gz	CJFZVPGADJAKBE-RMKNXTFCSA-N	-1	0	373.785	2.260	20	10		FECDRM
C[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000123335127	671978169	/nfs/dbraw/zinc/97/81/69/671978169.db2.gz	HVIFMZUSDRTPMZ-LLVKDONJSA-N	-1	0	372.296	2.484	20	10		FECDRM
Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-]	ZINC000184968762	672514629	/nfs/dbraw/zinc/51/46/29/672514629.db2.gz	MLBUYXJTINKIKV-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
COc1ccc(O)c(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1	ZINC000193770200	672735741	/nfs/dbraw/zinc/73/57/41/672735741.db2.gz	PIGARJVWCFTGCA-UHFFFAOYSA-N	-1	0	365.304	2.436	20	10		FECDRM
COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1[N+](=O)[O-]	ZINC000542948588	673617401	/nfs/dbraw/zinc/61/74/01/673617401.db2.gz	ZGWHZXRLQNBGCV-UHFFFAOYSA-N	-1	0	366.380	2.409	20	10		FECDRM
O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1cccc2nonc21	ZINC000765075430	680830071	/nfs/dbraw/zinc/83/00/71/680830071.db2.gz	HIIUAYYKNDAUQB-UHFFFAOYSA-N	-1	0	359.342	2.348	20	10		FECDRM
O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1cccc2nonc21	ZINC000765057746	680829365	/nfs/dbraw/zinc/82/93/65/680829365.db2.gz	ZQFKTTGQSOSTQR-UHFFFAOYSA-N	-1	0	359.342	2.348	20	10		FECDRM
COc1nccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840731414	680839760	/nfs/dbraw/zinc/83/97/60/680839760.db2.gz	MQHZZJXFVSJBCA-LUAWRHEFSA-N	-1	0	367.452	2.331	20	10		FECDRM
O=C(Nc1cc[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000748042573	679922474	/nfs/dbraw/zinc/92/24/74/679922474.db2.gz	HTKVVEGHRXBGGL-UHFFFAOYSA-N	-1	0	364.408	2.230	20	10		FECDRM
O=C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1CC(F)(F)F	ZINC000754156548	680340614	/nfs/dbraw/zinc/34/06/14/680340614.db2.gz	SHBIMVRPYBQECB-UHFFFAOYSA-N	-1	0	353.684	2.118	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3cncc(Cl)c3)n2)cn1	ZINC000754693585	680371343	/nfs/dbraw/zinc/37/13/43/680371343.db2.gz	GQPOFXHQTAEMIQ-UHFFFAOYSA-N	-1	0	355.832	2.393	20	10		FECDRM
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000758773060	680606766	/nfs/dbraw/zinc/60/67/66/680606766.db2.gz	GTXKBCZCIHFTDM-UHFFFAOYSA-N	-1	0	365.363	2.108	20	10		FECDRM
Cn1ccnc(N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)c1=O	ZINC000769465648	680983967	/nfs/dbraw/zinc/98/39/67/680983967.db2.gz	ANWUHGAPISLLJX-UHFFFAOYSA-N	-1	0	369.252	2.115	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1	ZINC000844213791	681045032	/nfs/dbraw/zinc/04/50/32/681045032.db2.gz	MFUQIKORMVAWPG-HWKANZROSA-N	-1	0	355.341	2.470	20	10		FECDRM
C[C@@H](COC1CCCC1)CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000844782533	681082062	/nfs/dbraw/zinc/08/20/62/681082062.db2.gz	BLJOJIRIGHJGMY-NSHDSACASA-N	-1	0	357.428	2.427	20	10		FECDRM
COc1ccc2c(c1)c1c(n2CC(=O)[N-]S(=O)(=O)C(C)C)CCCC1	ZINC000845454056	681129011	/nfs/dbraw/zinc/12/90/11/681129011.db2.gz	BUBXPPUUKBPRJL-UHFFFAOYSA-N	-1	0	364.467	2.383	20	10		FECDRM
CC(=O)[C@H](C)OC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785411037	682295826	/nfs/dbraw/zinc/29/58/26/682295826.db2.gz	DDRIDLXMKHEIRG-JTQLQIEISA-N	-1	0	369.420	2.389	20	10		FECDRM
O=C1CCN1c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000790350935	682669708	/nfs/dbraw/zinc/66/97/08/682669708.db2.gz	OGEYIJATOXHJGI-UHFFFAOYSA-N	-1	0	360.420	2.229	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C	ZINC000790409719	682674420	/nfs/dbraw/zinc/67/44/20/682674420.db2.gz	VXMVAIXDHHGHBS-UHFFFAOYSA-N	-1	0	362.407	2.111	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000790417779	682675168	/nfs/dbraw/zinc/67/51/68/682675168.db2.gz	OVSUYFAJHVTRJT-UHFFFAOYSA-N	-1	0	351.380	2.468	20	10		FECDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	ZINC000929047059	683540008	/nfs/dbraw/zinc/54/00/08/683540008.db2.gz	YQZVJWHMRDOSGM-CZUORRHYSA-N	-1	0	351.447	2.333	20	10		FECDRM
CN1C[C@H](CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000924754692	684486756	/nfs/dbraw/zinc/48/67/56/684486756.db2.gz	UWLMITLZAVTUGW-SECBINFHSA-N	-1	0	360.241	2.367	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCCn1cccn1	ZINC000911360019	685202418	/nfs/dbraw/zinc/20/24/18/685202418.db2.gz	KZTKPVPTYMQKIZ-UHFFFAOYSA-N	-1	0	351.790	2.136	20	10		FECDRM
C[C@H](O)[C@H](NCc1ccc(F)c(F)c1[O-])C(=O)OCc1ccccc1	ZINC000877550164	686407246	/nfs/dbraw/zinc/40/72/46/686407246.db2.gz	ULZVFDXGSOXFOW-ZBEGNZNMSA-N	-1	0	351.349	2.253	20	10		FECDRM
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894537067	689549871	/nfs/dbraw/zinc/54/98/71/689549871.db2.gz	HETIKMXAJJKNLW-KDDOJWQBSA-N	-1	0	357.223	2.380	20	10		FECDRM
C[C@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000895015176	689640004	/nfs/dbraw/zinc/64/00/04/689640004.db2.gz	DLJROXCRGVXMDS-UFBFGSQYSA-N	-1	0	350.640	2.390	20	10		FECDRM
Cc1nnc(CN2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)[nH]1	ZINC000895266881	689687439	/nfs/dbraw/zinc/68/74/39/689687439.db2.gz	OTBJAFOWRHGWJE-UHFFFAOYSA-N	-1	0	356.257	2.443	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1	ZINC000182782708	547552296	/nfs/dbraw/zinc/55/22/96/547552296.db2.gz	MTKXFZRXFWTQCJ-UHFFFAOYSA-N	-1	0	358.441	2.459	20	10		FECDRM
COCC(=O)N1CCc2cc(NCc3cc([N+](=O)[O-])ccc3[O-])ccc21	ZINC000189298177	548299224	/nfs/dbraw/zinc/29/92/24/548299224.db2.gz	YMMARXHCPCQTSM-UHFFFAOYSA-N	-1	0	357.366	2.448	20	10		FECDRM
NC(=O)c1cccnc1N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000295401201	553000423	/nfs/dbraw/zinc/00/04/23/553000423.db2.gz	QSNKBHJBPNKNLB-UHFFFAOYSA-N	-1	0	364.808	2.001	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1C	ZINC000298843699	553480279	/nfs/dbraw/zinc/48/02/79/553480279.db2.gz	HSGYAKQLQYNHTJ-UHFFFAOYSA-N	-1	0	373.456	2.162	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C(F)(F)F)c1O	ZINC000361816091	554936717	/nfs/dbraw/zinc/93/67/17/554936717.db2.gz	RRCDRTNHHSXNRF-NOZJJQNGSA-N	-1	0	362.323	2.362	20	10		FECDRM
COc1ncccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807511156	674418050	/nfs/dbraw/zinc/41/80/50/674418050.db2.gz	GECNZZGTIUXQGC-UHFFFAOYSA-N	-1	0	370.192	2.358	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	ZINC000739622417	600241268	/nfs/dbraw/zinc/24/12/68/600241268.db2.gz	BBMUAQQYMVDUFY-IQCBXXCUSA-N	-1	0	359.382	2.284	20	10		FECDRM
O=C([O-])CN(Cc1nnc2n1CCCCC2)Cc1cc(Cl)ccc1O	ZINC000739794402	600316010	/nfs/dbraw/zinc/31/60/10/600316010.db2.gz	XZYLCBFSHGEXDA-UHFFFAOYSA-N	-1	0	364.833	2.450	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)cc1	ZINC000738022759	600493710	/nfs/dbraw/zinc/49/37/10/600493710.db2.gz	NGLBZVLDOWLTSI-AWEZNQCLSA-N	-1	0	361.442	2.170	20	10		FECDRM
CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1ccccc1C(=O)[O-]	ZINC000737052095	600647353	/nfs/dbraw/zinc/64/73/53/600647353.db2.gz	GJHALPGUBXVGQZ-HJWRWDBZSA-N	-1	0	353.378	2.206	20	10		FECDRM
O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)NCc1ccccc1O	ZINC000833146825	601491852	/nfs/dbraw/zinc/49/18/52/601491852.db2.gz	MSLYRQRMVPQFNC-UHFFFAOYSA-N	-1	0	360.391	2.284	20	10		FECDRM
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC2(CC(=O)[O-])CC2)cc1	ZINC000830635139	601508276	/nfs/dbraw/zinc/50/82/76/601508276.db2.gz	IPGCMSKZGKUXCH-UHFFFAOYSA-N	-1	0	366.483	2.302	20	10		FECDRM
C[C@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-]	ZINC000828455746	601816600	/nfs/dbraw/zinc/81/66/00/601816600.db2.gz	FWIJIJQUDNNNGM-WFASDCNBSA-N	-1	0	355.390	2.481	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000739717346	602286687	/nfs/dbraw/zinc/28/66/87/602286687.db2.gz	YCTRKYKBUFOMGU-UHFFFAOYSA-N	-1	0	369.377	2.030	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(NC(=O)[O-])CCCC1	ZINC000739710435	602355002	/nfs/dbraw/zinc/35/50/02/602355002.db2.gz	UFYOLHYJDBHYDI-UHFFFAOYSA-N	-1	0	361.442	2.062	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000740675158	602553459	/nfs/dbraw/zinc/55/34/59/602553459.db2.gz	JZAVVQKVECVTQV-AWEZNQCLSA-N	-1	0	371.359	2.370	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)cc1	ZINC000829423626	602817971	/nfs/dbraw/zinc/81/79/71/602817971.db2.gz	ISKQLIRWWSXPHW-INIZCTEOSA-N	-1	0	361.442	2.313	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2C2CC2)NC(=O)[O-])cc1	ZINC000828063186	603027853	/nfs/dbraw/zinc/02/78/53/603027853.db2.gz	BKZYZAVXQVLFHP-MRXNPFEDSA-N	-1	0	371.441	2.102	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c[nH]2)NC(=O)[O-])cc1	ZINC000828063336	603030750	/nfs/dbraw/zinc/03/07/50/603030750.db2.gz	CQQRVYXBDJESOP-AWEZNQCLSA-N	-1	0	350.806	2.473	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)CCO3)NC(=O)[O-])cc1	ZINC000828064820	603034816	/nfs/dbraw/zinc/03/48/16/603034816.db2.gz	ZHIMNLBMTHKFMP-KRWDZBQOSA-N	-1	0	369.421	2.426	20	10		FECDRM
CCN(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)[O-]	ZINC000827002244	603070494	/nfs/dbraw/zinc/07/04/94/603070494.db2.gz	JTYDGGDHKSUALL-LBPRGKRZSA-N	-1	0	371.384	2.373	20	10		FECDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000739199286	603117300	/nfs/dbraw/zinc/11/73/00/603117300.db2.gz	GGAWRZBJBSNTFY-CZUORRHYSA-N	-1	0	361.442	2.406	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000739907314	603151788	/nfs/dbraw/zinc/15/17/88/603151788.db2.gz	AMFSTBFBBIUQJQ-CABCVRRESA-N	-1	0	361.442	2.170	20	10		FECDRM
COc1ccc(O)c(CNC(=O)NCC2(NC(=O)[O-])CCCCC2)c1	ZINC000739931780	603165384	/nfs/dbraw/zinc/16/53/84/603165384.db2.gz	QHSZRBMAXXZVMV-UHFFFAOYSA-N	-1	0	351.403	2.171	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000740076832	603180274	/nfs/dbraw/zinc/18/02/74/603180274.db2.gz	FGQAEQMZDWUYRS-UHFFFAOYSA-N	-1	0	367.449	2.482	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)c3ccc(CNC(=O)[O-])o3)CC2)cc1	ZINC000829423630	603374743	/nfs/dbraw/zinc/37/47/43/603374743.db2.gz	IUAYKHUCEJGTTP-UHFFFAOYSA-N	-1	0	373.409	2.408	20	10		FECDRM
CN(C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000828205567	603815984	/nfs/dbraw/zinc/81/59/84/603815984.db2.gz	DPODPSWKNRKFES-KRWDZBQOSA-N	-1	0	358.442	2.347	20	10		FECDRM
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1	ZINC000829484993	604137305	/nfs/dbraw/zinc/13/73/05/604137305.db2.gz	ZJRQGBRAASISOL-SMDDNHRTSA-N	-1	0	351.403	2.026	20	10		FECDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000832846551	604270413	/nfs/dbraw/zinc/27/04/13/604270413.db2.gz	VHZICKAJSMIHAJ-UHFFFAOYSA-N	-1	0	371.437	2.439	20	10		FECDRM
COc1cccc(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829560717	604581356	/nfs/dbraw/zinc/58/13/56/604581356.db2.gz	SYNRQYKGHYEGRO-JSGCOSHPSA-N	-1	0	350.415	2.433	20	10		FECDRM
O=C([O-])N1CCc2c(cccc2NC(=O)NCCc2ccc(O)c(O)c2)C1	ZINC000831699116	604795746	/nfs/dbraw/zinc/79/57/46/604795746.db2.gz	DLDKNMWSBGUNCY-UHFFFAOYSA-N	-1	0	371.393	2.498	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000833733789	605034005	/nfs/dbraw/zinc/03/40/05/605034005.db2.gz	PYEVYFAFTHBRCA-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1	ZINC000833734008	605034101	/nfs/dbraw/zinc/03/41/01/605034101.db2.gz	ZAUYYYMISNWQFZ-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1	ZINC000833733885	605207016	/nfs/dbraw/zinc/20/70/16/605207016.db2.gz	UWDPTTSYVYAMTG-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
CN(C(=O)c1cn(C)nc1-c1cccnc1)c1ccc(OCC(=O)[O-])cc1	ZINC000833686848	605463357	/nfs/dbraw/zinc/46/33/57/605463357.db2.gz	OZKHGVNIZHVARL-UHFFFAOYSA-N	-1	0	366.377	2.222	20	10		FECDRM
O=C([O-])N[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	ZINC000834121510	605548801	/nfs/dbraw/zinc/54/88/01/605548801.db2.gz	LULXOIXXARIRKA-AWEZNQCLSA-N	-1	0	350.758	2.376	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000820602272	605891803	/nfs/dbraw/zinc/89/18/03/605891803.db2.gz	URFDNSLJSAPEFM-UHFFFAOYSA-N	-1	0	355.394	2.048	20	10		FECDRM
CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000817356373	675124435	/nfs/dbraw/zinc/12/44/35/675124435.db2.gz	KCJDHBOBMGOTOV-AWEZNQCLSA-N	-1	0	366.395	2.300	20	10		FECDRM
CCS(=O)(=O)C[C@H](C)N(C)Cc1cccc(Br)c1[O-]	ZINC000093417155	670753215	/nfs/dbraw/zinc/75/32/15/670753215.db2.gz	JHNBYSPHKNBFBY-JTQLQIEISA-N	-1	0	350.278	2.410	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc21	ZINC000184969467	672514411	/nfs/dbraw/zinc/51/44/11/672514411.db2.gz	RYQUAEUNHJBYHA-UHFFFAOYSA-N	-1	0	360.435	2.246	20	10		FECDRM
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1O	ZINC000211651379	672789664	/nfs/dbraw/zinc/78/96/64/672789664.db2.gz	YLQLRBHMNSZRPY-XYOKQWHBSA-N	-1	0	353.421	2.467	20	10		FECDRM
COc1ccc(N(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC	ZINC000727125569	673156454	/nfs/dbraw/zinc/15/64/54/673156454.db2.gz	WRLFZZVOOLKRJY-UHFFFAOYSA-N	-1	0	361.423	2.162	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1OCCO	ZINC000542986248	673619609	/nfs/dbraw/zinc/61/96/09/673619609.db2.gz	OEKJQMQDZATGPP-UHFFFAOYSA-N	-1	0	365.436	2.172	20	10		FECDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]2CCOC[C@@H]21	ZINC000839187380	680743653	/nfs/dbraw/zinc/74/36/53/680743653.db2.gz	SNJOZUHKSQEXSX-STQMWFEESA-N	-1	0	366.266	2.087	20	10		FECDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000764195327	680802489	/nfs/dbraw/zinc/80/24/89/680802489.db2.gz	RAJGKWXSCPJTRY-GFCCVEGCSA-N	-1	0	368.430	2.328	20	10		FECDRM
CCS(=O)(=O)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000840472153	680825838	/nfs/dbraw/zinc/82/58/38/680825838.db2.gz	LDJWCFVNUZXNEJ-UHFFFAOYSA-N	-1	0	369.270	2.323	20	10		FECDRM
C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-]	ZINC000756776548	680497285	/nfs/dbraw/zinc/49/72/85/680497285.db2.gz	PXSLEUSOVZYJPR-ISVAXAHUSA-N	-1	0	358.211	2.412	20	10		FECDRM
COc1ccsc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000760318122	680682717	/nfs/dbraw/zinc/68/27/17/680682717.db2.gz	RLGRSVGRLCQQNO-UHFFFAOYSA-N	-1	0	356.454	2.415	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000844215267	681045016	/nfs/dbraw/zinc/04/50/16/681045016.db2.gz	GLJQSIQYJQOCSO-GOUNYYSDSA-N	-1	0	360.288	2.442	20	10		FECDRM
Cn1nccc1[C@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000846116317	681184808	/nfs/dbraw/zinc/18/48/08/681184808.db2.gz	SFNCSLOLWBQEFE-CQSZACIVSA-N	-1	0	352.778	2.261	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000775286434	681292343	/nfs/dbraw/zinc/29/23/43/681292343.db2.gz	RIQHVCVJZDKVEJ-UHFFFAOYSA-N	-1	0	369.311	2.018	20	10		FECDRM
CCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c([N+](=O)[O-])c1	ZINC000776794765	681437026	/nfs/dbraw/zinc/43/70/26/681437026.db2.gz	ISIQXDNUQINAHS-UHFFFAOYSA-N	-1	0	364.339	2.331	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCCC(=O)[O-]	ZINC000848449709	681546295	/nfs/dbraw/zinc/54/62/95/681546295.db2.gz	WJMMAJJHPIHSHJ-UHFFFAOYSA-N	-1	0	357.790	2.192	20	10		FECDRM
COC1CCN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000849394655	681712016	/nfs/dbraw/zinc/71/20/16/681712016.db2.gz	XWSPJDOWQMOQOD-UHFFFAOYSA-N	-1	0	369.270	2.144	20	10		FECDRM
O=C([O-])C1=CC(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)=S=C1	ZINC000782202011	682016457	/nfs/dbraw/zinc/01/64/57/682016457.db2.gz	ZVBBTGPZTFBSJH-MBXJOHMKSA-N	-1	0	350.739	2.316	20	10		FECDRM
COCCOC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785410982	682295674	/nfs/dbraw/zinc/29/56/74/682295674.db2.gz	CHNBPJROWGWMCF-UHFFFAOYSA-N	-1	0	357.409	2.058	20	10		FECDRM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1	ZINC000788490825	682533553	/nfs/dbraw/zinc/53/35/53/682533553.db2.gz	AXTXLCBGAHHFKG-UHFFFAOYSA-N	-1	0	350.396	2.300	20	10		FECDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c([N+](=O)[O-])n1	ZINC000792702763	682828900	/nfs/dbraw/zinc/82/89/00/682828900.db2.gz	ZFSOYNDBIOVSHS-UHFFFAOYSA-N	-1	0	358.401	2.040	20	10		FECDRM
COC(=O)C1(CS(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCCC1	ZINC000793410260	682887078	/nfs/dbraw/zinc/88/70/78/682887078.db2.gz	SXLFNHGMHLNDSQ-UHFFFAOYSA-N	-1	0	372.399	2.166	20	10		FECDRM
COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1	ZINC000795362338	683045073	/nfs/dbraw/zinc/04/50/73/683045073.db2.gz	NELCIJKIFOEHEH-UHFFFAOYSA-N	-1	0	353.396	2.357	20	10		FECDRM
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797819766	683275744	/nfs/dbraw/zinc/27/57/44/683275744.db2.gz	RNBYIIIPOLQRKP-UHFFFAOYSA-N	-1	0	372.786	2.037	20	10		FECDRM
CCCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H](COC)C(=O)[O-]	ZINC000929045846	683539239	/nfs/dbraw/zinc/53/92/39/683539239.db2.gz	SEBUSWMNVWPAAV-CZUORRHYSA-N	-1	0	351.447	2.335	20	10		FECDRM
COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000862516661	683596687	/nfs/dbraw/zinc/59/66/87/683596687.db2.gz	WPENEWSLPCWHBQ-GXFFZTMASA-N	-1	0	372.805	2.402	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCn1cc(Cl)cn1	ZINC000911360571	685202957	/nfs/dbraw/zinc/20/29/57/685202957.db2.gz	VBRLGNPVXUFIDW-UHFFFAOYSA-N	-1	0	372.208	2.399	20	10		FECDRM
CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(F)c(F)c2[O-])cn1	ZINC000877474619	686384783	/nfs/dbraw/zinc/38/47/83/686384783.db2.gz	CPHINFXSDPQZQP-BSEYFRJRSA-N	-1	0	355.410	2.192	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1	ZINC000161005887	546092730	/nfs/dbraw/zinc/09/27/30/546092730.db2.gz	GGKJXNCVUVBXNX-UHFFFAOYSA-N	-1	0	371.466	2.392	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)C[C@@H](C)OC	ZINC000195321625	548621948	/nfs/dbraw/zinc/62/19/48/548621948.db2.gz	DVOTZNDFZZQOPY-SNVBAGLBSA-N	-1	0	366.277	2.341	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)C[C@H](C)OC	ZINC000195321632	548621734	/nfs/dbraw/zinc/62/17/34/548621734.db2.gz	DVOTZNDFZZQOPY-JTQLQIEISA-N	-1	0	366.277	2.341	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1	ZINC000266103754	550017243	/nfs/dbraw/zinc/01/72/43/550017243.db2.gz	TYYGACNKJFVGAS-UHFFFAOYSA-N	-1	0	372.472	2.026	20	10		FECDRM
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)cn1C	ZINC000277005999	550621029	/nfs/dbraw/zinc/62/10/29/550621029.db2.gz	ZCBZXUMCETXYTJ-UHFFFAOYSA-N	-1	0	368.411	2.107	20	10		FECDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1	ZINC000290453357	552481251	/nfs/dbraw/zinc/48/12/51/552481251.db2.gz	DLNJQIDCSJDIDF-UHFFFAOYSA-N	-1	0	369.395	2.498	20	10		FECDRM
COCCn1nnc2c1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2	ZINC000293717626	552849901	/nfs/dbraw/zinc/84/99/01/552849901.db2.gz	SYYKODOKDNSMAZ-UHFFFAOYSA-N	-1	0	357.241	2.495	20	10		FECDRM
COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4n[n-]c(=O)o4)C3)cc2)CC1	ZINC000295407719	553001501	/nfs/dbraw/zinc/00/15/01/553001501.db2.gz	SJTKYKBCNMDUDT-MRXNPFEDSA-N	-1	0	372.469	2.358	20	10		FECDRM
NC(=O)c1coc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000807151475	674406559	/nfs/dbraw/zinc/40/65/59/674406559.db2.gz	CVHVDQFCEHSHNO-UHFFFAOYSA-N	-1	0	358.181	2.390	20	10		FECDRM
NC(=O)COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000807837336	674431180	/nfs/dbraw/zinc/43/11/80/674431180.db2.gz	LUPVGSRLUXMHHF-UHFFFAOYSA-N	-1	0	369.204	2.493	20	10		FECDRM
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000737378703	599773140	/nfs/dbraw/zinc/77/31/40/599773140.db2.gz	UUZPWZRRGVTOPN-UHFFFAOYSA-N	-1	0	364.423	2.397	20	10		FECDRM
C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000736749514	600205266	/nfs/dbraw/zinc/20/52/66/600205266.db2.gz	ZNXIONLDQIVSDY-NEPJUHHUSA-N	-1	0	363.435	2.251	20	10		FECDRM
CC(C)(C)CCNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000736248180	600313725	/nfs/dbraw/zinc/31/37/25/600313725.db2.gz	DNJFLBGDWSAPRQ-UHFFFAOYSA-N	-1	0	356.850	2.485	20	10		FECDRM
Cc1cc(CCNS(=O)(=O)CCCC(=O)[O-])c(C)n1-c1ccccc1	ZINC000738229227	600492333	/nfs/dbraw/zinc/49/23/33/600492333.db2.gz	BVHOWOJAFZNURH-UHFFFAOYSA-N	-1	0	364.467	2.421	20	10		FECDRM
O=C([O-])c1ccsc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000833145410	600871359	/nfs/dbraw/zinc/87/13/59/600871359.db2.gz	LUUHDQWVJHOISV-UHFFFAOYSA-N	-1	0	373.434	2.301	20	10		FECDRM
CNC(=O)c1cncc(/C=C/C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1	ZINC000737553284	601026094	/nfs/dbraw/zinc/02/60/94/601026094.db2.gz	YGTCXCWXNXIPRA-AATRIKPKSA-N	-1	0	371.368	2.101	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000013185504	601208776	/nfs/dbraw/zinc/20/87/76/601208776.db2.gz	KHSYVZRNPINPNZ-KPKJPENVSA-N	-1	0	360.435	2.329	20	10		FECDRM
CCN(CC(=O)[O-])CC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	ZINC000829628602	601380458	/nfs/dbraw/zinc/38/04/58/601380458.db2.gz	MYDSKSQEGZPKCH-UHFFFAOYSA-N	-1	0	372.421	2.455	20	10		FECDRM
Cn1cc([C@]2(C)CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833043259	602139659	/nfs/dbraw/zinc/13/96/59/602139659.db2.gz	KDSPPFFZQNUHNJ-JXTAAOLFSA-N	-1	0	372.381	2.178	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)c2csc(CNC(=O)[O-])n2)c1	ZINC000739924599	602720600	/nfs/dbraw/zinc/72/06/00/602720600.db2.gz	CGHLHIBUIOYKMB-QMMMGPOBSA-N	-1	0	351.384	2.116	20	10		FECDRM
CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(C)onc2N)cc1F	ZINC000809817262	674512096	/nfs/dbraw/zinc/51/20/96/674512096.db2.gz	YZLJFLYSYOVMRO-UHFFFAOYSA-N	-1	0	356.423	2.029	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1	ZINC000739909712	602964700	/nfs/dbraw/zinc/96/47/00/602964700.db2.gz	MLPQGMVADDBDGG-IAGOWNOFSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)NC(=O)[O-])cc1	ZINC000828064736	603023690	/nfs/dbraw/zinc/02/36/90/603023690.db2.gz	XASMGFLRAHXMLD-OAHLLOKOSA-N	-1	0	371.393	2.220	20	10		FECDRM
CN(CCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000737419263	603027407	/nfs/dbraw/zinc/02/74/07/603027407.db2.gz	VOBPNTACJQVQHO-HNNXBMFYSA-N	-1	0	350.415	2.290	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CCc2ccncc2)NC(=O)[O-])cc1	ZINC000828064662	603029710	/nfs/dbraw/zinc/02/97/10/603029710.db2.gz	VPCNOUAEEVYXOW-KRWDZBQOSA-N	-1	0	356.426	2.205	20	10		FECDRM
CC(C)c1ncncc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000824496592	603030320	/nfs/dbraw/zinc/03/03/20/603030320.db2.gz	XQWPOYNAKYHJBY-MRXNPFEDSA-N	-1	0	371.441	2.405	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3c2CCCC3)NC(=O)[O-])cc1	ZINC000828063564	603030872	/nfs/dbraw/zinc/03/08/72/603030872.db2.gz	GXVXZRZIROZWED-INIZCTEOSA-N	-1	0	371.441	2.093	20	10		FECDRM
CC(C)(CNC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000823960327	603635933	/nfs/dbraw/zinc/63/59/33/603635933.db2.gz	AAKHBLWQJCGABA-UHFFFAOYSA-N	-1	0	351.472	2.150	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1	ZINC000829484968	603857471	/nfs/dbraw/zinc/85/74/71/603857471.db2.gz	ZEXIUYOKLPVDKB-COPLHBTASA-N	-1	0	351.403	2.197	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])ccc21	ZINC000828488803	604166831	/nfs/dbraw/zinc/16/68/31/604166831.db2.gz	PRZUEXZPOWWNIY-SJORKVTESA-N	-1	0	372.469	2.495	20	10		FECDRM
CN(C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1)C(=O)[O-]	ZINC000828254168	604337083	/nfs/dbraw/zinc/33/70/83/604337083.db2.gz	WGXAUQFDPCQHFI-LLVKDONJSA-N	-1	0	358.489	2.267	20	10		FECDRM
O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NCCCSc1nccs1	ZINC000832469994	604337649	/nfs/dbraw/zinc/33/76/49/604337649.db2.gz	ZYLQMWOJKPAUFP-GHMZBOCLSA-N	-1	0	358.489	2.361	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1	ZINC000833733990	604688575	/nfs/dbraw/zinc/68/85/75/604688575.db2.gz	YCMOOFLXGGCQPW-VIFPVBQESA-N	-1	0	369.370	2.278	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])c1	ZINC000832425346	604915425	/nfs/dbraw/zinc/91/54/25/604915425.db2.gz	VIZNKETWGRWINX-JTQLQIEISA-N	-1	0	374.393	2.358	20	10		FECDRM
O=C([O-])N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1	ZINC000834122892	605440386	/nfs/dbraw/zinc/44/03/86/605440386.db2.gz	VLGMFRKQKJJRPI-OAHLLOKOSA-N	-1	0	364.785	2.419	20	10		FECDRM
C[C@@H](NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c1ccc(N2CCOCC2)cc1	ZINC000825454563	605667696	/nfs/dbraw/zinc/66/76/96/605667696.db2.gz	TWQWBPYTKYLGGN-CZUORRHYSA-N	-1	0	363.458	2.383	20	10		FECDRM
Cc1cc(Br)c(O)c(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1	ZINC000833897328	605912681	/nfs/dbraw/zinc/91/26/81/605912681.db2.gz	IIDWFQLLKYCGKT-GXFFZTMASA-N	-1	0	373.247	2.320	20	10		FECDRM
O=C([C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-])N1CCOCC1	ZINC000816502840	675060505	/nfs/dbraw/zinc/06/05/05/675060505.db2.gz	SGMVKQQONNLEQG-HNNXBMFYSA-N	-1	0	356.825	2.398	20	10		FECDRM
Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000163673521	672310380	/nfs/dbraw/zinc/31/03/80/672310380.db2.gz	BNBYQNOWYWNXSN-QHCPKHFHSA-N	-1	0	365.436	2.211	20	10		FECDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1F	ZINC000184885975	672510026	/nfs/dbraw/zinc/51/00/26/672510026.db2.gz	ZCAWSTPFAQFQJC-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC000184968368	672514396	/nfs/dbraw/zinc/51/43/96/672514396.db2.gz	NDNGKMRDPMIEHQ-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
CN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000708145633	673064535	/nfs/dbraw/zinc/06/45/35/673064535.db2.gz	JOWNSWMWGIGWHK-JTQLQIEISA-N	-1	0	368.680	2.427	20	10		FECDRM
O=S1(=O)CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1	ZINC000708147256	673064997	/nfs/dbraw/zinc/06/49/97/673064997.db2.gz	WOPRUAJSFCUFAE-UHFFFAOYSA-N	-1	0	368.680	2.429	20	10		FECDRM
Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3ccn(C)n3)n2)s1	ZINC000727248246	673162718	/nfs/dbraw/zinc/16/27/18/673162718.db2.gz	LHVSYZXUCWQFCA-UHFFFAOYSA-N	-1	0	355.470	2.418	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cc1	ZINC000743046914	673747769	/nfs/dbraw/zinc/74/77/69/673747769.db2.gz	PCMGATONARIMOY-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000743260159	673753894	/nfs/dbraw/zinc/75/38/94/673753894.db2.gz	YEDUPYJQLXCDSE-UHFFFAOYSA-N	-1	0	364.423	2.146	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)NCc2ccc(N(C)C)cc2C)c1	ZINC000819289982	675277934	/nfs/dbraw/zinc/27/79/34/675277934.db2.gz	AODVQJRJFUAZCD-RUZDIDTESA-N	-1	0	360.479	2.494	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)ccc1O	ZINC000830017939	677021745	/nfs/dbraw/zinc/02/17/45/677021745.db2.gz	ABPWSJDBMSVACD-UHFFFAOYSA-N	-1	0	353.400	2.147	20	10		FECDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCSc1nccs1	ZINC000761297229	680718467	/nfs/dbraw/zinc/71/84/67/680718467.db2.gz	QDJJLCBLLKBRFF-UHFFFAOYSA-N	-1	0	362.454	2.203	20	10		FECDRM
CCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000748794612	679996143	/nfs/dbraw/zinc/99/61/43/679996143.db2.gz	YULOKYPONYXLRN-IZZDOVSWSA-N	-1	0	368.392	2.279	20	10		FECDRM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000754861564	680385057	/nfs/dbraw/zinc/38/50/57/680385057.db2.gz	FLUZSYQDWLNDTO-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000758775623	680606882	/nfs/dbraw/zinc/60/68/82/680606882.db2.gz	ZBRRCKXRCSSWIL-UHFFFAOYSA-N	-1	0	363.391	2.491	20	10		FECDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000760361166	680684201	/nfs/dbraw/zinc/68/42/01/680684201.db2.gz	PQXXKLTZQVCDKR-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
Cc1cc(Br)c([O-])c(C[NH2+]CC2(C(=O)[O-])CCOCC2)c1	ZINC000843038378	680984273	/nfs/dbraw/zinc/98/42/73/680984273.db2.gz	GRBVMSLGIYREAT-UHFFFAOYSA-N	-1	0	358.232	2.434	20	10		FECDRM
COCCO[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844207524	681044611	/nfs/dbraw/zinc/04/46/11/681044611.db2.gz	MFMVLIJSHHEAMR-HZRUHFOJSA-N	-1	0	350.371	2.324	20	10		FECDRM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC000775286507	681292413	/nfs/dbraw/zinc/29/24/13/681292413.db2.gz	VDBLIJFDGABLPT-UHFFFAOYSA-N	-1	0	369.330	2.199	20	10		FECDRM
COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)cc1	ZINC000775286787	681292484	/nfs/dbraw/zinc/29/24/84/681292484.db2.gz	NYGPQHFUDALULD-UHFFFAOYSA-N	-1	0	365.407	2.169	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)OC)cc1	ZINC000790408677	682674473	/nfs/dbraw/zinc/67/44/73/682674473.db2.gz	GFBFPKCBXHTQLC-UHFFFAOYSA-N	-1	0	365.407	2.307	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000790416118	682675266	/nfs/dbraw/zinc/67/52/66/682675266.db2.gz	QYOHVSWFIMFRTF-UHFFFAOYSA-N	-1	0	351.380	2.219	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1O	ZINC000793429286	682888813	/nfs/dbraw/zinc/88/88/13/682888813.db2.gz	DZTIZNWQDAJRFV-UHFFFAOYSA-N	-1	0	355.343	2.347	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cnc1C	ZINC000793442975	682889784	/nfs/dbraw/zinc/88/97/84/682889784.db2.gz	KCFZQWXAQZJVGI-UHFFFAOYSA-N	-1	0	374.777	2.476	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)Cc2cccs2)cc1	ZINC000872923863	685034687	/nfs/dbraw/zinc/03/46/87/685034687.db2.gz	MCTBPVJPIMNUSK-CYBMUJFWSA-N	-1	0	362.451	2.395	20	10		FECDRM
CC(C)(CCC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000911226084	685185135	/nfs/dbraw/zinc/18/51/35/685185135.db2.gz	FIMYFZQKVVXQQA-UHFFFAOYSA-N	-1	0	352.406	2.170	20	10		FECDRM
COCCNS(=O)(=O)c1cccc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000877661605	686431901	/nfs/dbraw/zinc/43/19/01/686431901.db2.gz	DYIAPYTTXKOOEM-UHFFFAOYSA-N	-1	0	372.393	2.207	20	10		FECDRM
NS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)c(F)cc1[O-])C2	ZINC000877761959	686450082	/nfs/dbraw/zinc/45/00/82/686450082.db2.gz	VIGRZAARZHTRAU-UHFFFAOYSA-N	-1	0	370.833	2.390	20	10		FECDRM
CN(C)c1cc(F)c(CN2CC(C[N-]C(=O)C(F)(F)F)C2)cc1F	ZINC000877776666	686453436	/nfs/dbraw/zinc/45/34/36/686453436.db2.gz	UAGLEQVSSCOTMV-UHFFFAOYSA-N	-1	0	351.319	2.141	20	10		FECDRM
Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(F)c2[O-])cn1	ZINC000895378223	689706360	/nfs/dbraw/zinc/70/63/60/689706360.db2.gz	IAGYQARWDYZRDR-PSLXWICFSA-N	-1	0	357.838	2.224	20	10		FECDRM
CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)cc1	ZINC000265955269	550015290	/nfs/dbraw/zinc/01/52/90/550015290.db2.gz	WQIQMHOTHQWFFE-UHFFFAOYSA-N	-1	0	372.472	2.061	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000280789290	551032353	/nfs/dbraw/zinc/03/23/53/551032353.db2.gz	OQJCQYSURPXBFR-UHFFFAOYSA-N	-1	0	371.393	2.409	20	10		FECDRM
CN1CCc2cc(CNC(=O)CSc3n[n-]c(=S)s3)ccc21	ZINC000364442544	555314982	/nfs/dbraw/zinc/31/49/82/555314982.db2.gz	ILTHQONKMGEOKU-UHFFFAOYSA-N	-1	0	352.510	2.228	20	10		FECDRM
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000370367599	556852581	/nfs/dbraw/zinc/85/25/81/556852581.db2.gz	PZMUODDWSJMXEF-YPMHNXCESA-N	-1	0	358.778	2.106	20	10		FECDRM
CC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000603169696	568070755	/nfs/dbraw/zinc/07/07/55/568070755.db2.gz	RUVLGQPYVGJBRB-UHFFFAOYSA-N	-1	0	362.436	2.128	20	10		FECDRM
C[C@H]1CN(c2ccc(CNC(=O)N(C)CCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000818113949	596991640	/nfs/dbraw/zinc/99/16/40/596991640.db2.gz	UFSDYPOWSMBMRZ-STQMWFEESA-N	-1	0	367.421	2.055	20	10		FECDRM
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1C(=O)[O-]	ZINC000821034232	597492004	/nfs/dbraw/zinc/49/20/04/597492004.db2.gz	VSPDGYJKPLUGJG-UHFFFAOYSA-N	-1	0	364.379	2.023	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000817864081	598173460	/nfs/dbraw/zinc/17/34/60/598173460.db2.gz	JKUMUWSFTUKIMW-UHFFFAOYSA-N	-1	0	369.421	2.438	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000391791822	599767465	/nfs/dbraw/zinc/76/74/65/599767465.db2.gz	XPRJGDGRYNTMJI-UHFFFAOYSA-N	-1	0	352.412	2.255	20	10		FECDRM
CC(=O)c1[nH]c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C(=O)[O-])c1C	ZINC000736172564	599841913	/nfs/dbraw/zinc/84/19/13/599841913.db2.gz	JETWTJDNFIQNLJ-UHFFFAOYSA-N	-1	0	371.437	2.491	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1	ZINC000738203296	599974098	/nfs/dbraw/zinc/97/40/98/599974098.db2.gz	LWJXTIIABDUFMD-GOSISDBHSA-N	-1	0	360.385	2.201	20	10		FECDRM
O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)C2=CC(=O)CS2)C1=O	ZINC000833350511	600667170	/nfs/dbraw/zinc/66/71/70/600667170.db2.gz	YUNUDICCYFZEQP-SECBINFHSA-N	-1	0	353.377	2.176	20	10		FECDRM
O=C([O-])c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1	ZINC000833140919	601363785	/nfs/dbraw/zinc/36/37/85/601363785.db2.gz	XCGYYJYPNLDHSI-UHFFFAOYSA-N	-1	0	365.436	2.078	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC(O[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833195658	601435631	/nfs/dbraw/zinc/43/56/31/601435631.db2.gz	HWSUZFHJSKZCFG-OMDKTOEGSA-N	-1	0	362.382	2.467	20	10		FECDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739283791	602110780	/nfs/dbraw/zinc/11/07/80/602110780.db2.gz	KJSGEPQWASZNLW-LJQANCHMSA-N	-1	0	363.458	2.308	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1F	ZINC000739618940	602148899	/nfs/dbraw/zinc/14/88/99/602148899.db2.gz	QKAJABZLTFQHBC-ZDUSSCGKSA-N	-1	0	352.410	2.081	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CCN(C(=O)[O-])CC1	ZINC000739764240	602431377	/nfs/dbraw/zinc/43/13/77/602431377.db2.gz	XSSPQMSSJYDKAI-UHFFFAOYSA-N	-1	0	370.833	2.411	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)N1C(=O)[O-]	ZINC000739142832	602838554	/nfs/dbraw/zinc/83/85/54/602838554.db2.gz	SDMCUTSAORDIAU-GJZGRUSLSA-N	-1	0	358.442	2.345	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1	ZINC000739908111	602983177	/nfs/dbraw/zinc/98/31/77/602983177.db2.gz	GIGMZWIHMBESQI-IAGOWNOFSA-N	-1	0	361.442	2.217	20	10		FECDRM
Cc1noc(C)c1CCC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830909573	603028251	/nfs/dbraw/zinc/02/82/51/603028251.db2.gz	PPRNHGDZFFSARH-QGZVFWFLSA-N	-1	0	374.441	2.415	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccnc(C3CC3)n2)NC(=O)[O-])cc1	ZINC000828064769	603032746	/nfs/dbraw/zinc/03/27/46/603032746.db2.gz	XUPVVKOGWSJDMK-INIZCTEOSA-N	-1	0	369.425	2.159	20	10		FECDRM
C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000825178364	603070365	/nfs/dbraw/zinc/07/03/65/603070365.db2.gz	RNECIUMMCRMOBM-WDEREUQCSA-N	-1	0	357.357	2.029	20	10		FECDRM
CCN(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)[O-]	ZINC000827002243	603070655	/nfs/dbraw/zinc/07/06/55/603070655.db2.gz	JTYDGGDHKSUALL-GFCCVEGCSA-N	-1	0	371.384	2.373	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000739925535	603128073	/nfs/dbraw/zinc/12/80/73/603128073.db2.gz	OZLZBYNHNVQCBO-PKFCDNJMSA-N	-1	0	352.387	2.081	20	10		FECDRM
CN(C)c1ccc(CN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)C2CC2)cc1	ZINC000739616506	603130921	/nfs/dbraw/zinc/13/09/21/603130921.db2.gz	DIFDPUWLVPORDM-KRWDZBQOSA-N	-1	0	360.458	2.473	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1	ZINC000739711071	603391454	/nfs/dbraw/zinc/39/14/54/603391454.db2.gz	YZMRWYUHPLVDTI-UHFFFAOYSA-N	-1	0	370.409	2.440	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000738042379	603410576	/nfs/dbraw/zinc/41/05/76/603410576.db2.gz	SUGGWGHRNRPQCA-SNVBAGLBSA-N	-1	0	373.365	2.307	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)C(F)(F)C(F)F)NC(=O)[O-])cc1	ZINC000828055153	603451852	/nfs/dbraw/zinc/45/18/52/603451852.db2.gz	FGDPRRVVIZLYHJ-JTQLQIEISA-N	-1	0	351.300	2.078	20	10		FECDRM
COc1ccc(O)c(CNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1	ZINC000829484641	604135992	/nfs/dbraw/zinc/13/59/92/604135992.db2.gz	VWQDABVMTXKHBM-OAHLLOKOSA-N	-1	0	359.382	2.209	20	10		FECDRM
O=C([O-])N1CCC[C@@H](CNC(=O)NCCCSc2nccs2)C1	ZINC000831681567	604335121	/nfs/dbraw/zinc/33/51/21/604335121.db2.gz	VECXMUTYSCUYHR-NSHDSACASA-N	-1	0	358.489	2.315	20	10		FECDRM
C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1NC(=O)[O-]	ZINC000826000133	604337258	/nfs/dbraw/zinc/33/72/58/604337258.db2.gz	FTRJSBYTHAROBL-WDEREUQCSA-N	-1	0	358.489	2.313	20	10		FECDRM
O=C([O-])NC[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1	ZINC000832534695	604337582	/nfs/dbraw/zinc/33/75/82/604337582.db2.gz	YLYBJNUVOIICBW-LLVKDONJSA-N	-1	0	358.489	2.315	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	ZINC000825354056	604436881	/nfs/dbraw/zinc/43/68/81/604436881.db2.gz	YWHMELYYNLWOOI-IAQYHMDHSA-N	-1	0	352.431	2.252	20	10		FECDRM
C[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000833616295	604950148	/nfs/dbraw/zinc/95/01/48/604950148.db2.gz	YWVBULARPDMZSU-GFCCVEGCSA-N	-1	0	354.834	2.191	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000833733787	605034098	/nfs/dbraw/zinc/03/40/98/605034098.db2.gz	PWERZJSUEZLXPU-VIFPVBQESA-N	-1	0	369.370	2.278	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC000833694748	605178242	/nfs/dbraw/zinc/17/82/42/605178242.db2.gz	BYSDTGRWRKDYRN-UHFFFAOYSA-N	-1	0	370.409	2.280	20	10		FECDRM
CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000190618427	605226940	/nfs/dbraw/zinc/22/69/40/605226940.db2.gz	JPWLSYABAWHQIR-UHFFFAOYSA-N	-1	0	362.470	2.403	20	10		FECDRM
O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000834183592	605710722	/nfs/dbraw/zinc/71/07/22/605710722.db2.gz	LURICIRDZQGLMM-KGLIPLIRSA-N	-1	0	350.415	2.363	20	10		FECDRM
CCN(CC)C(=O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816482408	675058746	/nfs/dbraw/zinc/05/87/46/675058746.db2.gz	DXIVWDFJKKHBNI-UHFFFAOYSA-N	-1	0	357.857	2.171	20	10		FECDRM
O=C(CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCCC1	ZINC000816482640	675058759	/nfs/dbraw/zinc/05/87/59/675058759.db2.gz	NQFOHTUXLVYVPI-UHFFFAOYSA-N	-1	0	369.868	2.315	20	10		FECDRM
Cn1cnc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)c1Cl	ZINC000075656783	670535885	/nfs/dbraw/zinc/53/58/85/670535885.db2.gz	LBJAHIUZGVVVDR-UHFFFAOYSA-N	-1	0	355.832	2.393	20	10		FECDRM
O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1cnn(CC(F)F)c1	ZINC000188003412	672581113	/nfs/dbraw/zinc/58/11/13/672581113.db2.gz	CUUGHSKEKQYVTC-UHFFFAOYSA-N	-1	0	371.394	2.468	20	10		FECDRM
Cn1ccc(S(=O)(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1	ZINC000727242163	673162876	/nfs/dbraw/zinc/16/28/76/673162876.db2.gz	UMOPYJJOZRLEDM-UHFFFAOYSA-N	-1	0	365.396	2.253	20	10		FECDRM
O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1cccc2nsnc21	ZINC000547703095	673882750	/nfs/dbraw/zinc/88/27/50/673882750.db2.gz	GDMSPORNJPOIPK-UHFFFAOYSA-N	-1	0	363.420	2.270	20	10		FECDRM
O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cnnn1-c1ccccc1	ZINC000821192798	675420826	/nfs/dbraw/zinc/42/08/26/675420826.db2.gz	XYHPCCFTHFLYPM-UHFFFAOYSA-N	-1	0	350.787	2.427	20	10		FECDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]2CCOC[C@H]21	ZINC000839187374	680743698	/nfs/dbraw/zinc/74/36/98/680743698.db2.gz	SNJOZUHKSQEXSX-CHWSQXEVSA-N	-1	0	366.266	2.087	20	10		FECDRM
O=C(NCCS(=O)(=O)C1CC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000840449546	680823834	/nfs/dbraw/zinc/82/38/34/680823834.db2.gz	DYAAEHVLYLTIQQ-UHFFFAOYSA-N	-1	0	367.254	2.075	20	10		FECDRM
COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000751327254	680168353	/nfs/dbraw/zinc/16/83/53/680168353.db2.gz	XFXWMCIJQRNZNN-SECBINFHSA-N	-1	0	370.358	2.488	20	10		FECDRM
CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])ccc21	ZINC000753016034	680270910	/nfs/dbraw/zinc/27/09/10/680270910.db2.gz	GAFFVQGWLGMUEY-UHFFFAOYSA-N	-1	0	368.361	2.380	20	10		FECDRM
O=C1CCc2cc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])ccc2N1	ZINC000753020410	680271279	/nfs/dbraw/zinc/27/12/79/680271279.db2.gz	RINCYBPWTGEJMH-UHFFFAOYSA-N	-1	0	354.334	2.356	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C	ZINC000766048279	680864388	/nfs/dbraw/zinc/86/43/88/680864388.db2.gz	QJZLMOKLFAULET-UHFFFAOYSA-N	-1	0	363.391	2.491	20	10		FECDRM
Cn1nccc1[C@H]1COCCN1Cc1cccc(Br)c1[O-]	ZINC000846116906	681184933	/nfs/dbraw/zinc/18/49/33/681184933.db2.gz	YEPGVYGHSUARRG-CQSZACIVSA-N	-1	0	352.232	2.462	20	10		FECDRM
CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Cl)s1	ZINC000776744519	681432545	/nfs/dbraw/zinc/43/25/45/681432545.db2.gz	KGRWWNMOXHCQSW-UHFFFAOYSA-N	-1	0	367.857	2.311	20	10		FECDRM
O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1Cl	ZINC000776743896	681432652	/nfs/dbraw/zinc/43/26/52/681432652.db2.gz	BKFHXWJYRNGGBF-UHFFFAOYSA-N	-1	0	357.771	2.310	20	10		FECDRM
COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000776748693	681433011	/nfs/dbraw/zinc/43/30/11/681433011.db2.gz	WSKJLCPSKZVHHH-UHFFFAOYSA-N	-1	0	364.423	2.146	20	10		FECDRM
Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)ccc1O	ZINC000776748438	681433251	/nfs/dbraw/zinc/43/32/51/681433251.db2.gz	ISDFAZBEXLINTP-UHFFFAOYSA-N	-1	0	351.380	2.273	20	10		FECDRM
COC(=O)C(C)(C)N1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000779191591	681687340	/nfs/dbraw/zinc/68/73/40/681687340.db2.gz	RTFNRHUVIPBRPQ-UHFFFAOYSA-N	-1	0	371.275	2.224	20	10		FECDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cn1	ZINC000917386257	685531736	/nfs/dbraw/zinc/53/17/36/685531736.db2.gz	INUADBGWWMQANV-UHFFFAOYSA-N	-1	0	357.435	2.263	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H](SC)C(C)(C)C)cc1	ZINC000853007320	682363199	/nfs/dbraw/zinc/36/31/99/682363199.db2.gz	UFFLHLPASPWYQS-HNNXBMFYSA-N	-1	0	368.499	2.480	20	10		FECDRM
NC(=O)c1cc(-c2csc(NC(=O)c3c(F)ccc(O)c3[O-])n2)c[nH]1	ZINC000789974986	682642216	/nfs/dbraw/zinc/64/22/16/682642216.db2.gz	ZHYPTRYVOOULMF-UHFFFAOYSA-N	-1	0	362.342	2.040	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000926668726	683160806	/nfs/dbraw/zinc/16/08/06/683160806.db2.gz	KNWMFBMZTOVBJB-CDMKHQONSA-N	-1	0	361.225	2.302	20	10		FECDRM
COCCOCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000863428465	683724741	/nfs/dbraw/zinc/72/47/41/683724741.db2.gz	HJAUJSUNFLFDDO-UHFFFAOYSA-N	-1	0	363.395	2.187	20	10		FECDRM
CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000911226427	685185160	/nfs/dbraw/zinc/18/51/60/685185160.db2.gz	HHPCEJUPIPGIRI-BZPMIXESSA-N	-1	0	352.406	2.166	20	10		FECDRM
C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)c1ccc(N2CCOCC2)cc1	ZINC000911294123	685196300	/nfs/dbraw/zinc/19/63/00/685196300.db2.gz	VMHVGTPDMDLCFO-LLVKDONJSA-N	-1	0	361.423	2.169	20	10		FECDRM
Oc1ccc(Br)cc1CNCc1cn(C[C@@H]2CCCO2)nn1	ZINC000877520890	686400207	/nfs/dbraw/zinc/40/02/07/686400207.db2.gz	JXJFYEFWWHAUQA-AWEZNQCLSA-N	-1	0	367.247	2.215	20	10		FECDRM
COc1cc(C)cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1OC	ZINC000887275939	688397735	/nfs/dbraw/zinc/39/77/35/688397735.db2.gz	UTLJCCNMMQDXRH-WDZFZDKYSA-N	-1	0	353.421	2.298	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCN(c2cnccn2)CC1	ZINC000893945552	689435090	/nfs/dbraw/zinc/43/50/90/689435090.db2.gz	FARIGCZTYHMJMT-UHFFFAOYSA-N	-1	0	367.222	2.406	20	10		FECDRM
Cn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)c(F)cc2[O-])cn1	ZINC000895380272	689706708	/nfs/dbraw/zinc/70/67/08/689706708.db2.gz	NZIBOVAHYKPDAM-LFVRLGFBSA-N	-1	0	357.838	2.224	20	10		FECDRM
CCc1nncn1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805162323	674323935	/nfs/dbraw/zinc/32/39/35/674323935.db2.gz	TZLVJHJUVCVCGR-UHFFFAOYSA-N	-1	0	358.229	2.352	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)c2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000248154285	549412038	/nfs/dbraw/zinc/41/20/38/549412038.db2.gz	YOIZGAGDYRNDPC-UHFFFAOYSA-N	-1	0	361.467	2.396	20	10		FECDRM
Nc1nsc(N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1	ZINC000271326813	550365083	/nfs/dbraw/zinc/36/50/83/550365083.db2.gz	ZUPWEMCXNWZSMV-UHFFFAOYSA-N	-1	0	360.270	2.455	20	10		FECDRM
C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000285780419	551809632	/nfs/dbraw/zinc/80/96/32/551809632.db2.gz	UPZIIMCMIQMTKO-HZMBPMFUSA-N	-1	0	363.336	2.214	20	10		FECDRM
Cn1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2=O)n1	ZINC000293686511	552847190	/nfs/dbraw/zinc/84/71/90/552847190.db2.gz	RWLIKLHSPZLLSY-ZDUSSCGKSA-N	-1	0	352.797	2.203	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C2CC2)n[nH]1	ZINC000294957213	552947132	/nfs/dbraw/zinc/94/71/32/552947132.db2.gz	MOZSUPQIUWILED-UHFFFAOYSA-N	-1	0	363.801	2.462	20	10		FECDRM
C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000365680773	555639406	/nfs/dbraw/zinc/63/94/06/555639406.db2.gz	SANTYQUPGOGIKZ-HWPZZCPQSA-N	-1	0	362.407	2.016	20	10		FECDRM
O=C1NCCc2ccc(S(=O)(=O)Nc3cc(Cl)c([O-])cc3F)cc21	ZINC000377144264	558275803	/nfs/dbraw/zinc/27/58/03/558275803.db2.gz	ZUIPYTIFBBDGHA-UHFFFAOYSA-N	-1	0	370.789	2.271	20	10		FECDRM
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830636490	600719606	/nfs/dbraw/zinc/71/96/06/600719606.db2.gz	YKXSKLYHOAAUHP-UHFFFAOYSA-N	-1	0	363.439	2.132	20	10		FECDRM
O=C([O-])c1c(NC(=O)C(=O)NCc2ccccc2O)sc2c1CCCC2	ZINC000833147181	600853583	/nfs/dbraw/zinc/85/35/83/600853583.db2.gz	WLORYELTUWQRQU-UHFFFAOYSA-N	-1	0	374.418	2.286	20	10		FECDRM
O=C([O-])c1ccsc1NC(=O)C(=O)NCCCSc1nccs1	ZINC000833138462	601363827	/nfs/dbraw/zinc/36/38/27/601363827.db2.gz	CIULERQDNMZQKP-UHFFFAOYSA-N	-1	0	371.465	2.140	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1F	ZINC000829687051	601774407	/nfs/dbraw/zinc/77/44/07/601774407.db2.gz	DPBNJACSYUMQQD-CQSZACIVSA-N	-1	0	367.421	2.057	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCN2C(=O)[O-])c1	ZINC000739926109	602418769	/nfs/dbraw/zinc/41/87/69/602418769.db2.gz	ZEEQLCXOMCWASN-NEPJUHHUSA-N	-1	0	351.403	2.294	20	10		FECDRM
O=C([O-])N1CC[C@H](CCNC(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740427528	602701256	/nfs/dbraw/zinc/70/12/56/602701256.db2.gz	NWNJGLFTGWFFEZ-INIZCTEOSA-N	-1	0	360.458	2.476	20	10		FECDRM
C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)NC(=O)[O-]	ZINC000824563960	602772646	/nfs/dbraw/zinc/77/26/46/602772646.db2.gz	FMCLEQKLAZJMHX-YOEHRIQHSA-N	-1	0	363.458	2.306	20	10		FECDRM
Cc1noc(C)c1CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830909620	603027033	/nfs/dbraw/zinc/02/70/33/603027033.db2.gz	QVORDJLZRVDFNR-INIZCTEOSA-N	-1	0	360.414	2.025	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ncccc23)NC(=O)[O-])cc1	ZINC000828063325	603034169	/nfs/dbraw/zinc/03/41/69/603034169.db2.gz	CILWMIIXCJFKDD-INIZCTEOSA-N	-1	0	367.409	2.368	20	10		FECDRM
CC(C)(CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)NC(=O)[O-]	ZINC000823917144	603451723	/nfs/dbraw/zinc/45/17/23/603451723.db2.gz	COGJXJGTEFGZLV-AWEZNQCLSA-N	-1	0	365.430	2.129	20	10		FECDRM
O=C([O-])N1CC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1	ZINC000831753253	603524194	/nfs/dbraw/zinc/52/41/94/603524194.db2.gz	SHAHKOIAPONSRL-GFCCVEGCSA-N	-1	0	351.366	2.335	20	10		FECDRM
CCN(Cc1ccccc1NC(=O)C(=O)NCc1ccccc1O)C(=O)[O-]	ZINC000827183031	603707868	/nfs/dbraw/zinc/70/78/68/603707868.db2.gz	WPWPQCYPGTXROJ-UHFFFAOYSA-N	-1	0	371.393	2.147	20	10		FECDRM
COc1cccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1O	ZINC000829537637	603931968	/nfs/dbraw/zinc/93/19/68/603931968.db2.gz	SUIYACPNUUJZFB-HNNXBMFYSA-N	-1	0	373.409	2.206	20	10		FECDRM
COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1O	ZINC000829560124	604204599	/nfs/dbraw/zinc/20/45/99/604204599.db2.gz	OVUPDUMYIYFQHN-AAEUAGOBSA-N	-1	0	351.403	2.026	20	10		FECDRM
COc1cccc(CNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1O	ZINC000829558588	604224249	/nfs/dbraw/zinc/22/42/49/604224249.db2.gz	BFXJXPLZSCENCG-CQSZACIVSA-N	-1	0	359.382	2.209	20	10		FECDRM
C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000827653867	604502887	/nfs/dbraw/zinc/50/28/87/604502887.db2.gz	SSFHMEGJJAQWTH-RHSMWYFYSA-N	-1	0	361.442	2.233	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3ccsc3C(=O)[O-])ccc21	ZINC000833697400	605023200	/nfs/dbraw/zinc/02/32/00/605023200.db2.gz	INUSFLJTBXRSRB-UHFFFAOYSA-N	-1	0	366.464	2.307	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2ccccc2C(=O)[O-])c1	ZINC000833734011	605033948	/nfs/dbraw/zinc/03/39/48/605033948.db2.gz	ZCMWMPQKSHRKGO-LLVKDONJSA-N	-1	0	365.407	2.280	20	10		FECDRM
O=C([O-])N[C@@H]1CCc2ncc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2C1	ZINC000834193838	605700132	/nfs/dbraw/zinc/70/01/32/605700132.db2.gz	VHEJYEKVOMOPRC-ZABGRMTBSA-N	-1	0	369.377	2.270	20	10		FECDRM
CCOc1ccc(C[C@@H](CNC(=O)c2ccc(C)c(O)c2O)C(=O)[O-])cc1	ZINC000833664631	605754796	/nfs/dbraw/zinc/75/47/96/605754796.db2.gz	VHKLGVFHXOVDAX-AWEZNQCLSA-N	-1	0	373.405	2.478	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)CCCC(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000833634790	605762471	/nfs/dbraw/zinc/76/24/71/605762471.db2.gz	KMEYDFUFZIAZMW-CHWSQXEVSA-N	-1	0	352.406	2.310	20	10		FECDRM
COc1cccc(CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)c1O	ZINC000829611554	605874489	/nfs/dbraw/zinc/87/44/89/605874489.db2.gz	PBUIECGAQYBEND-HNNXBMFYSA-N	-1	0	360.366	2.035	20	10		FECDRM
COc1cccc(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)[O-])c1O	ZINC000829560425	605876460	/nfs/dbraw/zinc/87/64/60/605876460.db2.gz	RCYXAWPFBFECHX-INIZCTEOSA-N	-1	0	356.378	2.294	20	10		FECDRM
C[C@@H](CF)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000816745517	675076979	/nfs/dbraw/zinc/07/69/79/675076979.db2.gz	LMCHLRBRCREUKH-VIFPVBQESA-N	-1	0	358.416	2.342	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F	ZINC000184968814	672514552	/nfs/dbraw/zinc/51/45/52/672514552.db2.gz	IJYPPCUQCAFVNQ-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F	ZINC000321835849	673041054	/nfs/dbraw/zinc/04/10/54/673041054.db2.gz	HHECKEQJSUXHRB-UHFFFAOYSA-N	-1	0	359.400	2.044	20	10		FECDRM
C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCS1(=O)=O	ZINC000708216923	673065251	/nfs/dbraw/zinc/06/52/51/673065251.db2.gz	WAHZHUGCSGOZJM-QMMMGPOBSA-N	-1	0	368.680	2.427	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c[nH]1	ZINC000743047091	673747722	/nfs/dbraw/zinc/74/77/22/673747722.db2.gz	XKLUXTRLENNBPH-UHFFFAOYSA-N	-1	0	353.381	2.319	20	10		FECDRM
COC(=O)c1ncccc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C	ZINC000829915526	677017588	/nfs/dbraw/zinc/01/75/88/677017588.db2.gz	IIRANHIXANCULH-UHFFFAOYSA-N	-1	0	350.396	2.300	20	10		FECDRM
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC000762001644	680737089	/nfs/dbraw/zinc/73/70/89/680737089.db2.gz	VHLIVTDWNZIYMI-UHFFFAOYSA-N	-1	0	362.407	2.475	20	10		FECDRM
COCCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000765062754	680829526	/nfs/dbraw/zinc/82/95/26/680829526.db2.gz	YURKVKUQNYJPGT-UHFFFAOYSA-N	-1	0	367.358	2.188	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1sc(NC(C)=O)nc1C	ZINC000840915094	680852689	/nfs/dbraw/zinc/85/26/89/680852689.db2.gz	JWQDIOULZDOQOG-UHFFFAOYSA-N	-1	0	371.440	2.063	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000766047853	680864299	/nfs/dbraw/zinc/86/42/99/680864299.db2.gz	LWEZLGPWJFOOPM-UHFFFAOYSA-N	-1	0	362.407	2.097	20	10		FECDRM
CCn1c(=O)c2ccc(C(=O)NCc3ccccc3O)cc2[n-]c1=S	ZINC000748350622	679953960	/nfs/dbraw/zinc/95/39/60/679953960.db2.gz	YUJYUFHYIABTEU-UHFFFAOYSA-N	-1	0	355.419	2.341	20	10		FECDRM
COc1ccc(N(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c(OC)c1	ZINC000752124558	680224948	/nfs/dbraw/zinc/22/49/48/680224948.db2.gz	KMNAEZPWQDEBTM-UHFFFAOYSA-N	-1	0	361.423	2.162	20	10		FECDRM
C[S@](=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000769479836	680984300	/nfs/dbraw/zinc/98/43/00/680984300.db2.gz	JBLSZXVQPVSTCF-NRFANRHFSA-N	-1	0	351.299	2.195	20	10		FECDRM
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(OC)cc1	ZINC000769681259	680991201	/nfs/dbraw/zinc/99/12/01/680991201.db2.gz	OAHBCFBCRYKAME-UHFFFAOYSA-N	-1	0	364.423	2.439	20	10		FECDRM
O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)C1	ZINC000844933282	681094027	/nfs/dbraw/zinc/09/40/27/681094027.db2.gz	DXVFOISZMNOLDB-NSHDSACASA-N	-1	0	370.808	2.082	20	10		FECDRM
CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-]	ZINC000775652667	681321930	/nfs/dbraw/zinc/32/19/30/681321930.db2.gz	PEGHIFWGCPELIE-LBPRGKRZSA-N	-1	0	350.843	2.088	20	10		FECDRM
COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3[O-])CC2)cc1	ZINC000849373279	681699602	/nfs/dbraw/zinc/69/96/02/681699602.db2.gz	NSNDCXKNKPSTES-UHFFFAOYSA-N	-1	0	362.451	2.348	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2cc(-n3ccnc3)cs2)SC1=S	ZINC000783685369	682167010	/nfs/dbraw/zinc/16/70/10/682167010.db2.gz	WXJNOKYHUMSSKS-WMZJFQQLSA-N	-1	0	351.434	2.220	20	10		FECDRM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)s1	ZINC000797819422	683275931	/nfs/dbraw/zinc/27/59/31/683275931.db2.gz	IRMBCFOVYUEVFQ-UHFFFAOYSA-N	-1	0	373.408	2.058	20	10		FECDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	ZINC000922356060	683704360	/nfs/dbraw/zinc/70/43/60/683704360.db2.gz	QSMNKDRWTNFUJB-GFCCVEGCSA-N	-1	0	368.865	2.053	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\C1CCOCC1	ZINC000911360408	685202907	/nfs/dbraw/zinc/20/29/07/685202907.db2.gz	RVSRJDVXDOAISZ-RJRFIUFISA-N	-1	0	353.802	2.442	20	10		FECDRM
O=C1OCC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CCN12	ZINC000894094102	689465053	/nfs/dbraw/zinc/46/50/53/689465053.db2.gz	JTFDMDWWKRZGSM-LLVKDONJSA-N	-1	0	359.195	2.320	20	10		FECDRM
C[C@H](O)[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)OCc1ccccc1	ZINC000894856260	689610078	/nfs/dbraw/zinc/61/00/78/689610078.db2.gz	VUSHIWVQJPYZFT-ZBEGNZNMSA-N	-1	0	351.349	2.253	20	10		FECDRM
Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1C	ZINC000874968597	939266530	/nfs/dbraw/zinc/26/65/30/939266530.db2.gz	NPEMBLJDGMSZTF-HXUWFJFHSA-N	-1	0	370.405	2.189	20	10		FECDRM
CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1C	ZINC000032631973	539946069	/nfs/dbraw/zinc/94/60/69/539946069.db2.gz	DWZSNFMXKYSUGW-UHFFFAOYSA-N	-1	0	362.436	2.160	20	10		FECDRM
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805246904	674327452	/nfs/dbraw/zinc/32/74/52/674327452.db2.gz	RZUVDDYZPOZJBG-ZYHUDNBSSA-N	-1	0	360.241	2.413	20	10		FECDRM
C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000291014307	552576341	/nfs/dbraw/zinc/57/63/41/552576341.db2.gz	ACBGROGGIFTCPY-CYBMUJFWSA-N	-1	0	370.409	2.405	20	10		FECDRM
C[C@@H]1CN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cn2)C[C@@H](C)O1	ZINC000295000864	552950420	/nfs/dbraw/zinc/95/04/20/552950420.db2.gz	ZWUXNOSFQOJWBO-GHMZBOCLSA-N	-1	0	361.373	2.498	20	10		FECDRM
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21	ZINC000391776048	558614867	/nfs/dbraw/zinc/61/48/67/558614867.db2.gz	SQJMQZRPHCBSHW-JTQLQIEISA-N	-1	0	361.404	2.068	20	10		FECDRM
NC(=O)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000806938144	674397168	/nfs/dbraw/zinc/39/71/68/674397168.db2.gz	WZAAPFWCLUWNPG-UHFFFAOYSA-N	-1	0	369.208	2.192	20	10		FECDRM
COC(=O)c1cnc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807840016	674431268	/nfs/dbraw/zinc/43/12/68/674431268.db2.gz	PQSWYTVXAXFRJJ-UHFFFAOYSA-N	-1	0	356.165	2.206	20	10		FECDRM
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837964	674431305	/nfs/dbraw/zinc/43/13/05/674431305.db2.gz	HUJRUCYOULDWDO-UHFFFAOYSA-N	-1	0	372.164	2.085	20	10		FECDRM
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836757	674431407	/nfs/dbraw/zinc/43/14/07/674431407.db2.gz	NPMRHWISBKUAQG-UHFFFAOYSA-N	-1	0	359.169	2.429	20	10		FECDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000184968627	599936539	/nfs/dbraw/zinc/93/65/39/599936539.db2.gz	RCSFVKMOBXCBPD-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
CC[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000736943596	600213684	/nfs/dbraw/zinc/21/36/84/600213684.db2.gz	PGZFJBVZBIELJI-PKYBCLHXSA-N	-1	0	363.414	2.240	20	10		FECDRM
O=C([O-])c1ccc(CS(=O)(=O)NCCCSc2nccs2)cc1	ZINC000740134118	600323231	/nfs/dbraw/zinc/32/32/31/600323231.db2.gz	BNTSQGJZKMWWQR-UHFFFAOYSA-N	-1	0	372.493	2.443	20	10		FECDRM
O=C([O-])c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccn1	ZINC000833145709	601249148	/nfs/dbraw/zinc/24/91/48/601249148.db2.gz	WKDAXSOELBPKCQ-UHFFFAOYSA-N	-1	0	357.435	2.263	20	10		FECDRM
CO[C@@H](C)c1noc(CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000831505414	601434527	/nfs/dbraw/zinc/43/45/27/601434527.db2.gz	PNFLUCIAARMSNC-STUBTGCMSA-N	-1	0	362.342	2.419	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1F	ZINC000832384092	601519390	/nfs/dbraw/zinc/51/93/90/601519390.db2.gz	SQMCDWRTGJXWBX-ZIAGYGMSSA-N	-1	0	364.417	2.374	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC2)cc1F	ZINC000832383552	601519506	/nfs/dbraw/zinc/51/95/06/601519506.db2.gz	KUECVHRGCMMTMF-OAHLLOKOSA-N	-1	0	367.421	2.165	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)c(C)n1-c1ccccc1	ZINC000832860016	601569228	/nfs/dbraw/zinc/56/92/28/601569228.db2.gz	XIQDFYZUGKVLCF-KRWDZBQOSA-N	-1	0	356.422	2.452	20	10		FECDRM
C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000827645334	602064358	/nfs/dbraw/zinc/06/43/58/602064358.db2.gz	JKNOBIFEMPXKQI-IFXJQAMLSA-N	-1	0	361.442	2.090	20	10		FECDRM
C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000827280119	602174878	/nfs/dbraw/zinc/17/48/78/602174878.db2.gz	KDGOKOIWXBVLEZ-NWDGAFQWSA-N	-1	0	356.369	2.484	20	10		FECDRM
O=C([O-])N(CCCNC(=O)NCc1ccccc1O)Cc1cccnc1	ZINC000740432515	602627531	/nfs/dbraw/zinc/62/75/31/602627531.db2.gz	WYQPYEDWFSJFHJ-UHFFFAOYSA-N	-1	0	358.398	2.157	20	10		FECDRM
CN(C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1)C(=O)[O-]	ZINC000739647701	602944595	/nfs/dbraw/zinc/94/45/95/602944595.db2.gz	AEEATHIFADTTQE-MRXNPFEDSA-N	-1	0	358.442	2.204	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)/C=C/C2CCOCC2)NC(=O)[O-])cc1	ZINC000828063152	603025790	/nfs/dbraw/zinc/02/57/90/603025790.db2.gz	AUUKSLNTNKZMKN-HJYWZVSTSA-N	-1	0	361.442	2.160	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)on2)NC(=O)[O-])cc1	ZINC000828063408	603025870	/nfs/dbraw/zinc/02/58/70/603025870.db2.gz	FVVQRJRACAVUBS-HNNXBMFYSA-N	-1	0	358.398	2.357	20	10		FECDRM
C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000825178361	603070350	/nfs/dbraw/zinc/07/03/50/603070350.db2.gz	RNECIUMMCRMOBM-GHMZBOCLSA-N	-1	0	357.357	2.029	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000827517735	603070402	/nfs/dbraw/zinc/07/04/02/603070402.db2.gz	BKDVTHHXRVRZIK-RISCZKNCSA-N	-1	0	371.384	2.419	20	10		FECDRM
C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825082909	603522154	/nfs/dbraw/zinc/52/21/54/603522154.db2.gz	OXBYRPACAOCPNI-BPUTZDHNSA-N	-1	0	361.442	2.137	20	10		FECDRM
Cc1ccc(C(=O)NCCCN(Cc2cccnc2)C(=O)[O-])c(O)c1O	ZINC000830216231	603582121	/nfs/dbraw/zinc/58/21/21/603582121.db2.gz	GKMYNPWKULDMHP-UHFFFAOYSA-N	-1	0	359.382	2.101	20	10		FECDRM
O=C([O-])NCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)cs1	ZINC000832734465	603931187	/nfs/dbraw/zinc/93/11/87/603931187.db2.gz	BROWIDZWNNQYIF-UHFFFAOYSA-N	-1	0	361.423	2.425	20	10		FECDRM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1O	ZINC000823628418	604611292	/nfs/dbraw/zinc/61/12/92/604611292.db2.gz	PKMWXDPCHCJUSG-LKFCYVNXSA-N	-1	0	356.806	2.105	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1	ZINC000833654414	604692224	/nfs/dbraw/zinc/69/22/24/604692224.db2.gz	OQGOFJAFAGMSJK-UHFFFAOYSA-N	-1	0	363.439	2.105	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1	ZINC000833733440	605033744	/nfs/dbraw/zinc/03/37/44/605033744.db2.gz	ILIMNBGZZZCPIC-LLVKDONJSA-N	-1	0	365.407	2.280	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccsc2C(=O)[O-])c1	ZINC000833733713	605033794	/nfs/dbraw/zinc/03/37/94/605033794.db2.gz	MZHWJMSSLWMVQK-QMMMGPOBSA-N	-1	0	357.409	2.200	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CC[C@H](NC(=O)[O-])C[C@H]2C)c([N+](=O)[O-])c1	ZINC000828646265	605492218	/nfs/dbraw/zinc/49/22/18/605492218.db2.gz	HDZGQNRZNMVOTR-FJYXQWIHSA-N	-1	0	363.370	2.406	20	10		FECDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000825823590	605554595	/nfs/dbraw/zinc/55/45/95/605554595.db2.gz	NSAGZDLHSHLPMA-HOCLYGCPSA-N	-1	0	358.442	2.393	20	10		FECDRM
CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(C)c(O)c1O	ZINC000833662460	605755842	/nfs/dbraw/zinc/75/58/42/605755842.db2.gz	VBGFOUFRKWAMGS-UHFFFAOYSA-N	-1	0	363.366	2.376	20	10		FECDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)cn1	ZINC000811822880	674631366	/nfs/dbraw/zinc/63/13/66/674631366.db2.gz	JQNFEISPFXGBEM-UHFFFAOYSA-N	-1	0	361.452	2.467	20	10		FECDRM
O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1cccc2nsnc21	ZINC000031776517	670124476	/nfs/dbraw/zinc/12/44/76/670124476.db2.gz	OAAYKJRTMCQXLD-UHFFFAOYSA-N	-1	0	372.435	2.132	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)n2)cn1	ZINC000743050448	673748062	/nfs/dbraw/zinc/74/80/62/673748062.db2.gz	SRBIWGCOQYMRJP-UHFFFAOYSA-N	-1	0	362.436	2.279	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c1[O-]	ZINC000824976602	675631669	/nfs/dbraw/zinc/63/16/69/675631669.db2.gz	CKCULLYMCYLMCW-HNNXBMFYSA-N	-1	0	374.846	2.355	20	10		FECDRM
Cn1ccnc1N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000827891281	675785695	/nfs/dbraw/zinc/78/56/95/675785695.db2.gz	GCPJOLYZFRNFIW-UHFFFAOYSA-N	-1	0	351.794	2.010	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1C	ZINC000753522744	680302031	/nfs/dbraw/zinc/30/20/31/680302031.db2.gz	SVAWVVCKTGVZII-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
C[C@H]([C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O	ZINC000841436305	680881732	/nfs/dbraw/zinc/88/17/32/680881732.db2.gz	OTICAIDWOWCYRP-HTQZYQBOSA-N	-1	0	354.255	2.384	20	10		FECDRM
CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000768900864	680964016	/nfs/dbraw/zinc/96/40/16/680964016.db2.gz	OJLZIGCSVYNMCD-UHFFFAOYSA-N	-1	0	374.447	2.401	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000844215269	681045061	/nfs/dbraw/zinc/04/50/61/681045061.db2.gz	GLJQSIQYJQOCSO-KYXSCNQFSA-N	-1	0	360.288	2.442	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C(=O)[O-])cc2F)C[C@H](C)O1	ZINC000844252352	681046575	/nfs/dbraw/zinc/04/65/75/681046575.db2.gz	KSYPICVOCYCFMG-TXEJJXNPSA-N	-1	0	352.406	2.166	20	10		FECDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1cc(Cl)ccc1O	ZINC000846473253	681246218	/nfs/dbraw/zinc/24/62/18/681246218.db2.gz	KYFOVXDMJZJGQY-NSHDSACASA-N	-1	0	352.740	2.365	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C	ZINC000775286098	681291730	/nfs/dbraw/zinc/29/17/30/681291730.db2.gz	CQVNMOPLKWIPCX-UHFFFAOYSA-N	-1	0	367.427	2.374	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1CC(=O)[O-]	ZINC000776748713	681433129	/nfs/dbraw/zinc/43/31/29/681433129.db2.gz	YAWUFLUKOFSIEP-UHFFFAOYSA-N	-1	0	351.380	2.137	20	10		FECDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000849364055	681695679	/nfs/dbraw/zinc/69/56/79/681695679.db2.gz	CIMCSULYIZVNKD-OAHLLOKOSA-N	-1	0	352.406	2.025	20	10		FECDRM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000779476027	681719525	/nfs/dbraw/zinc/71/95/25/681719525.db2.gz	STXLFDAYGMNJQH-HWKANZROSA-N	-1	0	357.391	2.480	20	10		FECDRM
O=C([O-])[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780444060	681828206	/nfs/dbraw/zinc/82/82/06/681828206.db2.gz	PWGPXNXYCGEGQA-INIZCTEOSA-N	-1	0	363.483	2.389	20	10		FECDRM
C[C@H](CO)COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785414432	682295704	/nfs/dbraw/zinc/29/57/04/682295704.db2.gz	WUGWLNHPPTVEKR-SNVBAGLBSA-N	-1	0	371.436	2.040	20	10		FECDRM
CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc4nonc43)cccc21	ZINC000790348787	682669285	/nfs/dbraw/zinc/66/92/85/682669285.db2.gz	PMBWZZXOVNQPKP-CYBMUJFWSA-N	-1	0	361.379	2.494	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(NC(C)=O)c1	ZINC000790411279	682674849	/nfs/dbraw/zinc/67/48/49/682674849.db2.gz	IZRLKBWRFYPIQH-UHFFFAOYSA-N	-1	0	366.395	2.256	20	10		FECDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000792702405	682828948	/nfs/dbraw/zinc/82/89/48/682828948.db2.gz	SNXSAVCJHHVRCD-SNVBAGLBSA-N	-1	0	355.441	2.073	20	10		FECDRM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820072	683276161	/nfs/dbraw/zinc/27/61/61/683276161.db2.gz	FAJPKKXPIZEWFC-UHFFFAOYSA-N	-1	0	366.395	2.169	20	10		FECDRM
C[C@@H](NC(=O)NC1(C(=O)[O-])CCSCC1)c1ccc(N(C)C)cc1	ZINC000929042936	683538796	/nfs/dbraw/zinc/53/87/96/683538796.db2.gz	GPMYTWQSCSSZBK-GFCCVEGCSA-N	-1	0	351.472	2.463	20	10		FECDRM
Cc1ccc(O)c(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)c1	ZINC000862753756	683630414	/nfs/dbraw/zinc/63/04/14/683630414.db2.gz	GQKRPDXNYJTUEE-UHFFFAOYSA-N	-1	0	356.300	2.402	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC12CCOCC2	ZINC000911360827	685203171	/nfs/dbraw/zinc/20/31/71/685203171.db2.gz	YRIRSYAKDMQIQH-ZDUSSCGKSA-N	-1	0	353.802	2.276	20	10		FECDRM
COc1ccc(N2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)cc1F	ZINC000911582425	685228323	/nfs/dbraw/zinc/22/83/23/685228323.db2.gz	QKOWNTXJDKNNPX-UHFFFAOYSA-N	-1	0	352.406	2.374	20	10		FECDRM
[O-]c1ccc(Cl)c(F)c1CN1CCN(CCc2cnccn2)CC1	ZINC000877703763	686440832	/nfs/dbraw/zinc/44/08/32/686440832.db2.gz	SYACOZWVRRCVPW-UHFFFAOYSA-N	-1	0	350.825	2.335	20	10		FECDRM
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894038758	689454556	/nfs/dbraw/zinc/45/45/56/689454556.db2.gz	FSXQNHSPKKRSHD-IUCAKERBSA-N	-1	0	366.252	2.301	20	10		FECDRM
COC[C@@H](NCc1cc(Cl)cc(Br)c1[O-])C(=O)OC	ZINC000894539356	689550285	/nfs/dbraw/zinc/55/02/85/689550285.db2.gz	QUACBFJLWOYKGR-SNVBAGLBSA-N	-1	0	352.612	2.086	20	10		FECDRM
COC(=O)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H](C)O1	ZINC000895393942	689709020	/nfs/dbraw/zinc/70/90/20/689709020.db2.gz	QJCPIXFTQKNETC-PELKAZGASA-N	-1	0	362.195	2.056	20	10		FECDRM
COCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)o1	ZINC000899341647	690339304	/nfs/dbraw/zinc/33/93/04/690339304.db2.gz	GEWAYILTRSCHKF-PKNBQFBNSA-N	-1	0	371.436	2.371	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C(=O)[O-])C3CC3)cc2F)C[C@@H](C)O1	ZINC000852952710	939241380	/nfs/dbraw/zinc/24/13/80/939241380.db2.gz	PJPRYHBSUZTWGV-QFSBIZTOSA-N	-1	0	364.417	2.166	20	10		FECDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093420500	542931509	/nfs/dbraw/zinc/93/15/09/542931509.db2.gz	GBYBDVBLHSFPSU-BDAKNGLRSA-N	-1	0	350.824	2.207	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1	ZINC000272642108	550462679	/nfs/dbraw/zinc/46/26/79/550462679.db2.gz	YTVJFXORBUPTLI-UHFFFAOYSA-N	-1	0	357.366	2.271	20	10		FECDRM
C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273435946	550498645	/nfs/dbraw/zinc/49/86/45/550498645.db2.gz	MCDHOUVNAZLWMT-YMTOWFKASA-N	-1	0	374.319	2.135	20	10		FECDRM
O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc2c(c1)CCO2	ZINC000277136941	550635944	/nfs/dbraw/zinc/63/59/44/550635944.db2.gz	BVIZKHYYANNURG-GFCCVEGCSA-N	-1	0	355.316	2.080	20	10		FECDRM
Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1O	ZINC000366631647	555895454	/nfs/dbraw/zinc/89/54/54/555895454.db2.gz	ZWPIYXQODJJZLN-BETUJISGSA-N	-1	0	362.426	2.345	20	10		FECDRM
COC(=O)c1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c[nH]1	ZINC000531471820	562447067	/nfs/dbraw/zinc/44/70/67/562447067.db2.gz	CHCRBJQTPUMKGI-IZZDOVSWSA-N	-1	0	365.345	2.154	20	10		FECDRM
O=C([O-])Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000738625237	597203739	/nfs/dbraw/zinc/20/37/39/597203739.db2.gz	ITQYNLDEAWTWRH-UHFFFAOYSA-N	-1	0	369.421	2.472	20	10		FECDRM
O=C([O-])c1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	ZINC000821549521	598139114	/nfs/dbraw/zinc/13/91/14/598139114.db2.gz	JRLDYLPLXFYRMP-UHFFFAOYSA-N	-1	0	358.369	2.291	20	10		FECDRM
Cc1cc(O)cc(=O)n1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837011	674431324	/nfs/dbraw/zinc/43/13/24/674431324.db2.gz	XYCMBZPQTDINLV-UHFFFAOYSA-N	-1	0	357.193	2.191	20	10		FECDRM
CC(C)C(=O)N[C@@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000736345999	599705989	/nfs/dbraw/zinc/70/59/89/599705989.db2.gz	XKFQHTVFRHMKLJ-IZPAUZPXSA-N	-1	0	361.398	2.434	20	10		FECDRM
Cc1cnn(C[C@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)c1	ZINC000738811138	599967936	/nfs/dbraw/zinc/96/79/36/599967936.db2.gz	GFJMLCNXRUUWIA-SJDLMVEWSA-N	-1	0	372.381	2.103	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1	ZINC000738250316	599974000	/nfs/dbraw/zinc/97/40/00/599974000.db2.gz	LESBCYDDFLOOBH-LJQANCHMSA-N	-1	0	356.422	2.371	20	10		FECDRM
CN(Cc1ccco1)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000737494443	600505801	/nfs/dbraw/zinc/50/58/01/600505801.db2.gz	PKDNESOYJXZWEA-UHFFFAOYSA-N	-1	0	366.801	2.184	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(C(=O)[O-])s1	ZINC000737680553	600679082	/nfs/dbraw/zinc/67/90/82/600679082.db2.gz	KWNNHGUQCRVHMX-UHFFFAOYSA-N	-1	0	371.392	2.048	20	10		FECDRM
COc1cccc(CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c1O	ZINC000832329553	600718395	/nfs/dbraw/zinc/71/83/95/600718395.db2.gz	FAWKRHOYFQHSCW-UHFFFAOYSA-N	-1	0	360.366	2.107	20	10		FECDRM
CCOC(=O)[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC000737136241	600791222	/nfs/dbraw/zinc/79/12/22/600791222.db2.gz	PYDOZTWTIBFMDM-INIZCTEOSA-N	-1	0	359.378	2.008	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000663101112	600955477	/nfs/dbraw/zinc/95/54/77/600955477.db2.gz	HZFMRCVOFUXJSW-UHFFFAOYSA-N	-1	0	356.378	2.255	20	10		FECDRM
C[C@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1ccc(N2CCOCC2)cc1	ZINC000738949687	601913350	/nfs/dbraw/zinc/91/33/50/601913350.db2.gz	BYXVBSMKUZRRGN-AWEZNQCLSA-N	-1	0	361.442	2.281	20	10		FECDRM
O=C([O-])N1CCC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740446116	602016090	/nfs/dbraw/zinc/01/60/90/602016090.db2.gz	CAYGZPWJQFCWHF-INIZCTEOSA-N	-1	0	360.458	2.476	20	10		FECDRM
CN1CCCc2cc(CNC(=O)NC[C@H]3CCCN(C(=O)[O-])C3)ccc21	ZINC000739731358	602148911	/nfs/dbraw/zinc/14/89/11/602148911.db2.gz	OYWJFNSZCYCRKD-OAHLLOKOSA-N	-1	0	360.458	2.258	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1	ZINC000739926112	602418702	/nfs/dbraw/zinc/41/87/02/602418702.db2.gz	ZEEQLCXOMCWASN-VXGBXAGGSA-N	-1	0	351.403	2.294	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCCN3C(=O)[O-])CC2)cc1	ZINC000739910772	602511825	/nfs/dbraw/zinc/51/18/25/602511825.db2.gz	TUTXUZCOSIXHMR-KRWDZBQOSA-N	-1	0	361.442	2.313	20	10		FECDRM
O=C([O-])N1CCC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000740449233	602839797	/nfs/dbraw/zinc/83/97/97/602839797.db2.gz	WYNVJVABCHYPNO-UHFFFAOYSA-N	-1	0	358.442	2.252	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)[O-])cc3O)CC2)cc1	ZINC000739909660	602839961	/nfs/dbraw/zinc/83/99/61/602839961.db2.gz	LVWIBXUKSXBLIQ-UHFFFAOYSA-N	-1	0	371.393	2.453	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)NC(=O)[O-])cc1	ZINC000828063509	603025976	/nfs/dbraw/zinc/02/59/76/603025976.db2.gz	FVVQRJRACAVUBS-OAHLLOKOSA-N	-1	0	358.398	2.357	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cccc3c[nH]nc32)NC(=O)[O-])cc1	ZINC000828064713	603029467	/nfs/dbraw/zinc/02/94/67/603029467.db2.gz	WRIIDNMZMKJYQC-INIZCTEOSA-N	-1	0	367.409	2.368	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CSc2ccncc2)NC(=O)[O-])cc1	ZINC000828063919	603031118	/nfs/dbraw/zinc/03/11/18/603031118.db2.gz	JHXXLJZHPLKBAQ-INIZCTEOSA-N	-1	0	374.466	2.365	20	10		FECDRM
O=C([O-])NCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000832609054	603071664	/nfs/dbraw/zinc/07/16/64/603071664.db2.gz	PBBNQSNRNHQILH-LBPRGKRZSA-N	-1	0	371.384	2.421	20	10		FECDRM
O=C([O-])N[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000832240719	603585617	/nfs/dbraw/zinc/58/56/17/603585617.db2.gz	YCDZZDPYEXYQKA-IMJJTQAJSA-N	-1	0	362.426	2.336	20	10		FECDRM
Cc1cc(C)c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(=O)[nH]1	ZINC000829986575	603855158	/nfs/dbraw/zinc/85/51/58/603855158.db2.gz	QBHIRNISSPYUPT-HNNXBMFYSA-N	-1	0	372.425	2.209	20	10		FECDRM
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1	ZINC000829484990	604137358	/nfs/dbraw/zinc/13/73/58/604137358.db2.gz	ZJRQGBRAASISOL-BXUZGUMPSA-N	-1	0	351.403	2.026	20	10		FECDRM
O=C([O-])N1CCCC[C@@H](NC(=O)NCCCSc2nccs2)C1	ZINC000831680475	604336139	/nfs/dbraw/zinc/33/61/39/604336139.db2.gz	IKKJETPVNTUAIM-LLVKDONJSA-N	-1	0	358.489	2.457	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)ccc21	ZINC000739837659	604484285	/nfs/dbraw/zinc/48/42/85/604484285.db2.gz	OJKUPDFFXXXIEQ-OAHLLOKOSA-N	-1	0	359.426	2.387	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833695200	604781902	/nfs/dbraw/zinc/78/19/02/604781902.db2.gz	LBLNXDYULHNSHM-UHFFFAOYSA-N	-1	0	354.410	2.437	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2csc(C(=O)[O-])c2)c1	ZINC000833733827	605034165	/nfs/dbraw/zinc/03/41/65/605034165.db2.gz	RTHPXXAUJSKTHJ-MRVPVSSYSA-N	-1	0	357.409	2.200	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830072699	605398662	/nfs/dbraw/zinc/39/86/62/605398662.db2.gz	IOHPLALADQEUAH-QGZVFWFLSA-N	-1	0	360.458	2.487	20	10		FECDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000824282626	605587824	/nfs/dbraw/zinc/58/78/24/605587824.db2.gz	BPDVWYZLTVJRER-KRWDZBQOSA-N	-1	0	363.458	2.164	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000830072471	605653774	/nfs/dbraw/zinc/65/37/74/605653774.db2.gz	FTOFQLMMUKRHHL-HNNXBMFYSA-N	-1	0	351.472	2.163	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1	ZINC000833820504	605675960	/nfs/dbraw/zinc/67/59/60/605675960.db2.gz	RUVIXQZMONRTSB-ZANVPECISA-N	-1	0	359.220	2.012	20	10		FECDRM
Cc1nc(-c2ccc(NC(=O)C3=S=C(c4nnn[n-]4)C=C3)cc2)oc1C	ZINC000822418620	606529469	/nfs/dbraw/zinc/52/94/69/606529469.db2.gz	AHAGKBAYEVIKLH-UHFFFAOYSA-N	-1	0	366.406	2.106	20	10		FECDRM
O=C(NOC1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000812789958	674698430	/nfs/dbraw/zinc/69/84/30/674698430.db2.gz	FLJUAUQKCFZLIG-UHFFFAOYSA-N	-1	0	368.436	2.468	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000013185513	670005953	/nfs/dbraw/zinc/00/59/53/670005953.db2.gz	XTFISZIZTQSDAN-UHFFFAOYSA-N	-1	0	362.451	2.248	20	10		FECDRM
O=S1(=O)CC[C@H](N(Cc2cccc(Br)c2[O-])C2CC2)C1	ZINC000157054003	672254158	/nfs/dbraw/zinc/25/41/58/672254158.db2.gz	SBNDGLBBQFSVBP-LBPRGKRZSA-N	-1	0	360.273	2.306	20	10		FECDRM
Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2)o1	ZINC000163764068	672310832	/nfs/dbraw/zinc/31/08/32/672310832.db2.gz	NXBHJLOHWJNJGK-UHFFFAOYSA-N	-1	0	357.351	2.382	20	10		FECDRM
CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccc(N)cc1	ZINC000236809082	672803445	/nfs/dbraw/zinc/80/34/45/672803445.db2.gz	ZDWOAAISVYOQHG-UHFFFAOYSA-N	-1	0	361.467	2.393	20	10		FECDRM
CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1	ZINC000312855186	673029118	/nfs/dbraw/zinc/02/91/18/673029118.db2.gz	QZQDSVTXVXHUDJ-LLVKDONJSA-N	-1	0	362.289	2.411	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)ccc1O	ZINC000322746448	673042766	/nfs/dbraw/zinc/04/27/66/673042766.db2.gz	WMBWPKVCMWPZAV-UHFFFAOYSA-N	-1	0	359.400	2.044	20	10		FECDRM
CC(C)n1cc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cn1	ZINC000743046806	673747683	/nfs/dbraw/zinc/74/76/83/673747683.db2.gz	LLTFVULZHOEJCV-UHFFFAOYSA-N	-1	0	352.445	2.122	20	10		FECDRM
O=S1(=O)CCN(Cc2cccc(Br)c2[O-])[C@H]2CCC[C@H]21	ZINC000825203132	675641464	/nfs/dbraw/zinc/64/14/64/675641464.db2.gz	XRJKRRPJMPVJPW-QWHCGFSZSA-N	-1	0	360.273	2.306	20	10		FECDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000764194935	680802390	/nfs/dbraw/zinc/80/23/90/680802390.db2.gz	PCVPQBIPYFWGMP-AWEZNQCLSA-N	-1	0	364.467	2.497	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(OC)cccc1OC	ZINC000840917108	680852914	/nfs/dbraw/zinc/85/29/14/680852914.db2.gz	FINDKJIGRFUSKU-UHFFFAOYSA-N	-1	0	353.396	2.357	20	10		FECDRM
CCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000748794614	679996177	/nfs/dbraw/zinc/99/61/77/679996177.db2.gz	YULOKYPONYXLRN-WDZFZDKYSA-N	-1	0	368.392	2.279	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c([N+](=O)[O-])c1	ZINC000758169584	680559008	/nfs/dbraw/zinc/55/90/08/680559008.db2.gz	UKLZSCSGGHFSJP-UHFFFAOYSA-N	-1	0	370.314	2.027	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cs1	ZINC000766048968	680864384	/nfs/dbraw/zinc/86/43/84/680864384.db2.gz	YGSBETIRKVKEQU-UHFFFAOYSA-N	-1	0	355.393	2.244	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2cc(O)ccc2Br)SC1=S	ZINC000769775750	680994708	/nfs/dbraw/zinc/99/47/08/680994708.db2.gz	GTRDMSBYIDZISV-RUDMXATFSA-N	-1	0	374.237	2.441	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1O	ZINC000776748026	681433048	/nfs/dbraw/zinc/43/30/48/681433048.db2.gz	RXORICAQEXARNX-UHFFFAOYSA-N	-1	0	366.351	2.181	20	10		FECDRM
O=C([O-])CCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000848449476	681545698	/nfs/dbraw/zinc/54/56/98/681545698.db2.gz	NNQNEGBXNGFMGQ-UHFFFAOYSA-N	-1	0	352.406	2.048	20	10		FECDRM
CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(O)c(O)c1	ZINC000778926377	681663543	/nfs/dbraw/zinc/66/35/43/681663543.db2.gz	UFOYXXYFRNFTRV-UHFFFAOYSA-N	-1	0	364.423	2.180	20	10		FECDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1	ZINC000917709315	685534003	/nfs/dbraw/zinc/53/40/03/685534003.db2.gz	UAZCWSNOVNBYNG-UHFFFAOYSA-N	-1	0	364.398	2.352	20	10		FECDRM
CCOC(=O)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1	ZINC000789580782	682619582	/nfs/dbraw/zinc/61/95/82/682619582.db2.gz	LABCLDKJPBFCED-CQSZACIVSA-N	-1	0	372.805	2.402	20	10		FECDRM
C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nnn[n-]3)cc2Cl)C1	ZINC000868065359	684446397	/nfs/dbraw/zinc/44/63/97/684446397.db2.gz	NBQUQBKFZCVLFP-LBPRGKRZSA-N	-1	0	362.865	2.338	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1	ZINC000872986674	685043867	/nfs/dbraw/zinc/04/38/67/685043867.db2.gz	YZPYPCGYKOGUCE-HNNXBMFYSA-N	-1	0	360.332	2.043	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC[C@@H](CCF)C2)cc1	ZINC000872984185	685043883	/nfs/dbraw/zinc/04/38/83/685043883.db2.gz	IIGMFAMNQDUIBJ-AWEZNQCLSA-N	-1	0	352.406	2.184	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1	ZINC000872988324	685044176	/nfs/dbraw/zinc/04/41/76/685044176.db2.gz	OIBCXDJBMWRNIC-CVEARBPZSA-N	-1	0	364.467	2.083	20	10		FECDRM
O=C([O-])c1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1	ZINC000911095187	685162956	/nfs/dbraw/zinc/16/29/56/685162956.db2.gz	ABIINWVVKYODHQ-LBPRGKRZSA-N	-1	0	362.407	2.368	20	10		FECDRM
C[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)n1cccn1	ZINC000911360238	685203133	/nfs/dbraw/zinc/20/31/33/685203133.db2.gz	PSEJPRPGUGFZBU-LLVKDONJSA-N	-1	0	351.790	2.307	20	10		FECDRM
O=C(C1CC1)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000894682950	689577754	/nfs/dbraw/zinc/57/77/54/689577754.db2.gz	HEPVOTUTXOHFBU-CYBMUJFWSA-N	-1	0	358.207	2.474	20	10		FECDRM
COC(=O)C[C@@H]1COCCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894781881	689594575	/nfs/dbraw/zinc/59/45/75/689594575.db2.gz	TXSJRCGMIGTUMX-LLVKDONJSA-N	-1	0	362.195	2.058	20	10		FECDRM
Cc1cc(C(=O)N2CCN(Cc3cc(F)cc(F)c3[O-])[C@H](C)C2)[nH]n1	ZINC000894968503	689631458	/nfs/dbraw/zinc/63/14/58/689631458.db2.gz	AAFATTWHHBKLJD-LLVKDONJSA-N	-1	0	350.369	2.048	20	10		FECDRM
Cn1nccc1[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000897559003	690039352	/nfs/dbraw/zinc/03/93/52/690039352.db2.gz	PRGORFOTGVRUHI-CQSZACIVSA-N	-1	0	352.778	2.261	20	10		FECDRM
O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1	ZINC000852957245	939241422	/nfs/dbraw/zinc/24/14/22/939241422.db2.gz	QBYHXIHJNMSWPE-GOSISDBHSA-N	-1	0	360.454	2.155	20	10		FECDRM
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000031777021	539918876	/nfs/dbraw/zinc/91/88/76/539918876.db2.gz	XHVKDIPKNGJYAF-UHFFFAOYSA-N	-1	0	372.435	2.288	20	10		FECDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	ZINC000179969758	547034878	/nfs/dbraw/zinc/03/48/78/547034878.db2.gz	MPGYJIPRQOXBTL-ROUUACIJSA-N	-1	0	374.481	2.403	20	10		FECDRM
O=S(=O)([C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1)N1CCCC1	ZINC000191447908	548345638	/nfs/dbraw/zinc/34/56/38/548345638.db2.gz	IBXAIGIWMYTLFD-LLVKDONJSA-N	-1	0	362.854	2.185	20	10		FECDRM
Cc1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c(C)n1-c1ccc(F)cc1	ZINC000262460565	549821763	/nfs/dbraw/zinc/82/17/63/549821763.db2.gz	IIEPFKIRCZBQEJ-UHFFFAOYSA-N	-1	0	360.385	2.285	20	10		FECDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)s1	ZINC000288317639	552132248	/nfs/dbraw/zinc/13/22/48/552132248.db2.gz	UKHBXNAFKBUFEX-UHFFFAOYSA-N	-1	0	371.440	2.395	20	10		FECDRM
CS(=O)(=O)CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000292779410	552757973	/nfs/dbraw/zinc/75/79/73/552757973.db2.gz	LIPBQVRCNMRJDM-UHFFFAOYSA-N	-1	0	362.835	2.210	20	10		FECDRM
COc1cc(Cl)cc(CN2CCn3c(nnc3-c3cnn(C)c3)C2)c1O	ZINC000360345124	554871640	/nfs/dbraw/zinc/87/16/40/554871640.db2.gz	PGYZIEPQYKDZEZ-UHFFFAOYSA-N	-1	0	374.832	2.062	20	10		FECDRM
O=S(=O)(Nc1c(F)c(F)c([O-])c(F)c1F)c1cn2c(n1)CCCC2	ZINC000367887026	556165384	/nfs/dbraw/zinc/16/53/84/556165384.db2.gz	RWZXUIIDXUHJCQ-UHFFFAOYSA-N	-1	0	365.308	2.282	20	10		FECDRM
O=C([C@@H]1CCCO1)N1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000373825156	557767756	/nfs/dbraw/zinc/76/77/56/557767756.db2.gz	OWIUCNRLVDBOGC-HNNXBMFYSA-N	-1	0	356.825	2.398	20	10		FECDRM
O=C(N[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C1CCC1	ZINC000378347424	558534986	/nfs/dbraw/zinc/53/49/86/558534986.db2.gz	IMSJWJQOLTWGJI-ZDUSSCGKSA-N	-1	0	353.806	2.444	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cn(C[C@H]2CCOC2)nn1	ZINC000529392002	562372287	/nfs/dbraw/zinc/37/22/87/562372287.db2.gz	LZNMQVAPACSWBZ-SECBINFHSA-N	-1	0	371.224	2.257	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCCS(=O)(=O)C1	ZINC000807067456	674403518	/nfs/dbraw/zinc/40/35/18/674403518.db2.gz	DQWOKEQODNTFBV-SNVBAGLBSA-N	-1	0	367.254	2.075	20	10		FECDRM
CCn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807512748	674418304	/nfs/dbraw/zinc/41/83/04/674418304.db2.gz	HPQMJPSNRXGJOT-UHFFFAOYSA-N	-1	0	357.197	2.170	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1C(N)=O	ZINC000808114738	674442049	/nfs/dbraw/zinc/44/20/49/674442049.db2.gz	GTEDAUFIIIYEPM-UHFFFAOYSA-N	-1	0	358.778	2.393	20	10		FECDRM
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000736749518	600205110	/nfs/dbraw/zinc/20/51/10/600205110.db2.gz	ZNXIONLDQIVSDY-RYUDHWBXSA-N	-1	0	363.435	2.251	20	10		FECDRM
CCOCC[N@@H+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	ZINC000737177577	600213671	/nfs/dbraw/zinc/21/36/71/600213671.db2.gz	QYXACGFCOQUOTL-BRLPQQTGSA-N	-1	0	363.414	2.240	20	10		FECDRM
C[C@@H]1C[C@H](C)CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000736749014	600313838	/nfs/dbraw/zinc/31/38/38/600313838.db2.gz	HUWXVPDJLFYJEM-BETUJISGSA-N	-1	0	368.861	2.437	20	10		FECDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000324644633	600678415	/nfs/dbraw/zinc/67/84/15/600678415.db2.gz	AFAOQMNFWJZJIG-UHFFFAOYSA-N	-1	0	351.380	2.355	20	10		FECDRM
Cc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccn1	ZINC000823851678	600955596	/nfs/dbraw/zinc/95/55/96/600955596.db2.gz	VTKADRKIFHMQNS-UHFFFAOYSA-N	-1	0	357.410	2.195	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000829718703	601130674	/nfs/dbraw/zinc/13/06/74/601130674.db2.gz	ODXCYVLWACZKQN-UHFFFAOYSA-N	-1	0	354.472	2.159	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC000184968461	601230017	/nfs/dbraw/zinc/23/00/17/601230017.db2.gz	CYSFTVYIHPEIJB-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)[O-])CC2)cc1	ZINC000832384163	601440748	/nfs/dbraw/zinc/44/07/48/601440748.db2.gz	VGVIQYXOIDOQSW-UHFFFAOYSA-N	-1	0	369.421	2.154	20	10		FECDRM
O=C([O-])c1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c[nH]1	ZINC000833298028	601792412	/nfs/dbraw/zinc/79/24/12/601792412.db2.gz	MIFLCFWMRRAJBC-YHYXMXQVSA-N	-1	0	352.306	2.275	20	10		FECDRM
C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	ZINC000739011842	602709808	/nfs/dbraw/zinc/70/98/08/602709808.db2.gz	WOBNVUPIIGDJNK-LBPRGKRZSA-N	-1	0	366.437	2.469	20	10		FECDRM
O=C([O-])Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(O)c1	ZINC000740697838	602853307	/nfs/dbraw/zinc/85/33/07/602853307.db2.gz	IOVSDZACQKFHBN-UHFFFAOYSA-N	-1	0	371.393	2.249	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)NC(=O)[O-])cc1	ZINC000828064178	603027557	/nfs/dbraw/zinc/02/75/57/603027557.db2.gz	NJOQQFAQZGSJLN-MRXNPFEDSA-N	-1	0	357.414	2.092	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CSC(F)(F)F)NC(=O)[O-])cc1	ZINC000828063356	603034150	/nfs/dbraw/zinc/03/41/50/603034150.db2.gz	DENRJEJGGUQSAN-LLVKDONJSA-N	-1	0	365.377	2.431	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ncccc23)NC(=O)[O-])cc1	ZINC000828063326	603034162	/nfs/dbraw/zinc/03/41/62/603034162.db2.gz	CILWMIIXCJFKDD-MRXNPFEDSA-N	-1	0	367.409	2.368	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)c1	ZINC000739925582	603127951	/nfs/dbraw/zinc/12/79/51/603127951.db2.gz	QAMXOQDPURVGJY-GFCCVEGCSA-N	-1	0	370.405	2.383	20	10		FECDRM
C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(N2CCOCC2)cc1	ZINC000825460141	603416399	/nfs/dbraw/zinc/41/63/99/603416399.db2.gz	YHONHAVLQSFXDT-CYBMUJFWSA-N	-1	0	373.409	2.375	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSCCS2)NC(=O)[O-])cc1	ZINC000828056934	603462387	/nfs/dbraw/zinc/46/23/87/603462387.db2.gz	WUNWQKXLDOCNRM-ZIAGYGMSSA-N	-1	0	369.512	2.026	20	10		FECDRM
O=C([O-])N1CC[C@@H](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831666308	603774361	/nfs/dbraw/zinc/77/43/61/603774361.db2.gz	WOARFBDBFCNOJP-CYBMUJFWSA-N	-1	0	361.442	2.460	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2csc3cncn32)NC(=O)[O-])cc1	ZINC000828064117	603854341	/nfs/dbraw/zinc/85/43/41/603854341.db2.gz	LNBBMAGHXVUSCA-ZDUSSCGKSA-N	-1	0	373.438	2.201	20	10		FECDRM
O=C([O-])c1csc(NC(=O)C(=O)NCCCSc2nccs2)c1	ZINC000833139099	604550807	/nfs/dbraw/zinc/55/08/07/604550807.db2.gz	HOCIKJBDJDDSAS-UHFFFAOYSA-N	-1	0	371.465	2.140	20	10		FECDRM
COc1ccc([C@H](CC(=O)[O-])NC(=O)C2=CC(=O)CS2)c(OC)c1	ZINC000833732555	604570120	/nfs/dbraw/zinc/57/01/20/604570120.db2.gz	UFIJJMHWNDZVPZ-LBPRGKRZSA-N	-1	0	351.380	2.417	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC000832925766	604701222	/nfs/dbraw/zinc/70/12/22/604701222.db2.gz	WCJIYEGAOQNROL-UHFFFAOYSA-N	-1	0	374.422	2.231	20	10		FECDRM
O=C([O-])c1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000833765746	604719617	/nfs/dbraw/zinc/71/96/17/604719617.db2.gz	KNZHBULSOFNQHA-UHFFFAOYSA-N	-1	0	354.406	2.080	20	10		FECDRM
C[C@H]1CCCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000833616296	604950219	/nfs/dbraw/zinc/95/02/19/604950219.db2.gz	YWVBULARPDMZSU-LBPRGKRZSA-N	-1	0	354.834	2.191	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000827156589	605245326	/nfs/dbraw/zinc/24/53/26/605245326.db2.gz	JPPCPCKLVNVUER-KRWDZBQOSA-N	-1	0	363.458	2.260	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3C(=O)[O-])ccc21	ZINC000817870028	605908875	/nfs/dbraw/zinc/90/88/75/605908875.db2.gz	LMJPMTNKEMIQIB-UHFFFAOYSA-N	-1	0	367.405	2.022	20	10		FECDRM
C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1cc(F)c(Cl)cc1Cl	ZINC000194963172	672772777	/nfs/dbraw/zinc/77/27/77/672772777.db2.gz	QAVWMWJGBKNDQA-YFKPBYRVSA-N	-1	0	362.213	2.198	20	10		FECDRM
C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Br)cc(F)c1[O-]	ZINC000715819287	673073646	/nfs/dbraw/zinc/07/36/46/673073646.db2.gz	VTHVJOVABKXFPL-MRVPVSSYSA-N	-1	0	354.241	2.159	20	10		FECDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2ccn(C)n2)n1	ZINC000727250960	673162706	/nfs/dbraw/zinc/16/27/06/673162706.db2.gz	NQQPRPUACTULPV-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
CSc1nc(=O)n(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)[n-]1	ZINC000829468873	675880175	/nfs/dbraw/zinc/88/01/75/675880175.db2.gz	SJGNTVVETSVOFF-UHFFFAOYSA-N	-1	0	361.402	2.118	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CC(F)C1	ZINC000753074171	680273706	/nfs/dbraw/zinc/27/37/06/680273706.db2.gz	UOROHIYQAKEVFI-UHFFFAOYSA-N	-1	0	356.400	2.048	20	10		FECDRM
COC[C@@](C)(O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000836534104	680480930	/nfs/dbraw/zinc/48/09/30/680480930.db2.gz	PGVANTQKZKIFIY-AWEZNQCLSA-N	-1	0	351.230	2.286	20	10		FECDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cccc(OC)c1O	ZINC000769508066	680985405	/nfs/dbraw/zinc/98/54/05/680985405.db2.gz	NZLSUKSYPNOZQA-UHFFFAOYSA-N	-1	0	364.423	2.092	20	10		FECDRM
Cc1cc(C(=O)NCCC(=O)[O-])c(C)n1-c1ccc(Br)cn1	ZINC000843325438	680998367	/nfs/dbraw/zinc/99/83/67/680998367.db2.gz	OBKVMHVPGIZIEA-UHFFFAOYSA-N	-1	0	366.215	2.456	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1C	ZINC000773232375	681132396	/nfs/dbraw/zinc/13/23/96/681132396.db2.gz	PUWTYABCERYEQE-UHFFFAOYSA-N	-1	0	358.441	2.459	20	10		FECDRM
C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(N(C)C)cc1	ZINC000775834656	681340262	/nfs/dbraw/zinc/34/02/62/681340262.db2.gz	BTDFFURBLQSDHE-CYBMUJFWSA-N	-1	0	358.467	2.425	20	10		FECDRM
O=C(Cn1nnc2c1CCCC2)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000848080007	681471050	/nfs/dbraw/zinc/47/10/50/681471050.db2.gz	UKFCMCIPGDLJII-UHFFFAOYSA-N	-1	0	355.225	2.486	20	10		FECDRM
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000848576575	681581330	/nfs/dbraw/zinc/58/13/30/681581330.db2.gz	TWWCNWHHBZEXEP-MRXNPFEDSA-N	-1	0	365.499	2.396	20	10		FECDRM
O=S(=O)(c1ccccc1[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000849377572	681702839	/nfs/dbraw/zinc/70/28/39/681702839.db2.gz	NKCQCMNFLPIKNC-HNNXBMFYSA-N	-1	0	363.435	2.468	20	10		FECDRM
O=C([O-])c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(Cl)c1	ZINC000783702266	682168122	/nfs/dbraw/zinc/16/81/22/682168122.db2.gz	ULHKGDFOQIGJJY-WQLSENKSSA-N	-1	0	352.799	2.341	20	10		FECDRM
C[C@@H](NC(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000929046495	683539731	/nfs/dbraw/zinc/53/97/31/683539731.db2.gz	WCLVTOPYUOZXBY-IAQYHMDHSA-N	-1	0	362.455	2.265	20	10		FECDRM
COC(=O)/C(C)=C\CNC(=O)NCc1cccc(Br)c1O	ZINC000925019712	684516991	/nfs/dbraw/zinc/51/69/91/684516991.db2.gz	RQIUZQDDNHYQGG-TWGQIWQCSA-N	-1	0	357.204	2.073	20	10		FECDRM
C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000872839623	685022817	/nfs/dbraw/zinc/02/28/17/685022817.db2.gz	BMIQSVLTULNOMQ-MJBXVCDLSA-N	-1	0	366.483	2.295	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2cnc(C)s2)cc1	ZINC000872995073	685045521	/nfs/dbraw/zinc/04/55/21/685045521.db2.gz	ZIZGALNPCWXAFW-NSHDSACASA-N	-1	0	363.439	2.229	20	10		FECDRM
O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877577003	686413679	/nfs/dbraw/zinc/41/36/79/686413679.db2.gz	SQFXNJRXHJLTCP-UHFFFAOYSA-N	-1	0	350.325	2.296	20	10		FECDRM
C[C@@H](NCc1cc(Br)cc(F)c1[O-])c1nnnn1C1CC1	ZINC000883102398	687565539	/nfs/dbraw/zinc/56/55/39/687565539.db2.gz	OWBKAHQIIVGAJJ-SSDOTTSWSA-N	-1	0	356.199	2.466	20	10		FECDRM
COC(=O)C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000894029707	689453204	/nfs/dbraw/zinc/45/32/04/689453204.db2.gz	CBDGIJPXIGFOSX-NSHDSACASA-N	-1	0	362.195	2.058	20	10		FECDRM
C[C@@H]1CO[C@@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000894095075	689465798	/nfs/dbraw/zinc/46/57/98/689465798.db2.gz	PKXNXJMTCLPZIO-LDYMZIIASA-N	-1	0	350.640	2.390	20	10		FECDRM
CN(Cc1cc(Cl)cc(Br)c1[O-])C1CS(=O)(=O)C1	ZINC000895399137	689709492	/nfs/dbraw/zinc/70/94/92/689709492.db2.gz	KFZWKKSMNZOBPA-UHFFFAOYSA-N	-1	0	354.653	2.037	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)NC3(C(=O)[O-])CCOCC3)c2C)cc1	ZINC000262889231	939083432	/nfs/dbraw/zinc/08/34/32/939083432.db2.gz	HSHIFVJAXGZSLG-UHFFFAOYSA-N	-1	0	372.421	2.466	20	10		FECDRM
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1n[nH]c(=O)[n-]1	ZINC000092870096	542892851	/nfs/dbraw/zinc/89/28/51/542892851.db2.gz	RPANURHARUORTK-UHFFFAOYSA-N	-1	0	359.411	2.045	20	10		FECDRM
CCn1cnc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000805135744	674321841	/nfs/dbraw/zinc/32/18/41/674321841.db2.gz	RMTGHICTLRLAGB-UHFFFAOYSA-N	-1	0	350.227	2.394	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000295890867	553072411	/nfs/dbraw/zinc/07/24/11/553072411.db2.gz	CQUJRBWSRVLIGA-IBGZPJMESA-N	-1	0	363.360	2.443	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CCN(c2nc(F)c(F)cc2F)CC1	ZINC000296733983	553204329	/nfs/dbraw/zinc/20/43/29/553204329.db2.gz	OCEHESMSGFJQCD-UHFFFAOYSA-N	-1	0	371.290	2.012	20	10		FECDRM
Cn1nnc2c1C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000365612087	555622315	/nfs/dbraw/zinc/62/23/15/555622315.db2.gz	XCFMZSFULSGQNR-QMMMGPOBSA-N	-1	0	355.225	2.249	20	10		FECDRM
CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1	ZINC000369805700	556700153	/nfs/dbraw/zinc/70/01/53/556700153.db2.gz	PCCUXSPVEIBKCE-CMPLNLGQSA-N	-1	0	368.777	2.207	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)NCCCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000818113919	597287284	/nfs/dbraw/zinc/28/72/84/597287284.db2.gz	SJRIMKJHHFJEOT-BETUJISGSA-N	-1	0	367.421	2.103	20	10		FECDRM
C[C@@]1(CCCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])NC(=O)NC1=O	ZINC000807837941	674431348	/nfs/dbraw/zinc/43/13/48/674431348.db2.gz	HKGKNLRIFNFXKP-HNNXBMFYSA-N	-1	0	374.224	2.084	20	10		FECDRM
CN(C)c1ccc(CN(Cn2cnc(C(=O)[O-])n2)CC(F)(F)F)cc1	ZINC000737378701	600078411	/nfs/dbraw/zinc/07/84/11/600078411.db2.gz	UUGHYLBPKAVNJS-UHFFFAOYSA-N	-1	0	357.336	2.064	20	10		FECDRM
Cn1c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)nnc1C1CC1	ZINC000739013552	600314598	/nfs/dbraw/zinc/31/45/98/600314598.db2.gz	FFAYZTWTXMWEFD-UHFFFAOYSA-N	-1	0	350.806	2.138	20	10		FECDRM
Cn1cc([C@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833044291	601254347	/nfs/dbraw/zinc/25/43/47/601254347.db2.gz	VCONXESCSCDNEX-OICCZTGUSA-N	-1	0	358.354	2.004	20	10		FECDRM
CCc1oc(C(=O)[O-])cc1COc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000830395197	601389402	/nfs/dbraw/zinc/38/94/02/601389402.db2.gz	UQYZHPHRHQCYCV-UHFFFAOYSA-N	-1	0	353.396	2.370	20	10		FECDRM
CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739225079	602110367	/nfs/dbraw/zinc/11/03/67/602110367.db2.gz	LXJCYLXXXLWUND-RHSMWYFYSA-N	-1	0	363.458	2.164	20	10		FECDRM
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738979579	602148660	/nfs/dbraw/zinc/14/86/60/602148660.db2.gz	NINDVPVLFVHMRI-JSGCOSHPSA-N	-1	0	366.437	2.469	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N3CCC[C@@H](CNC(=O)[O-])C3)ccc21	ZINC000739729209	602148921	/nfs/dbraw/zinc/14/89/21/602148921.db2.gz	CBQCXSNXCBAXLU-HNNXBMFYSA-N	-1	0	360.458	2.258	20	10		FECDRM
O=C([O-])NCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000739964252	602255156	/nfs/dbraw/zinc/25/51/56/602255156.db2.gz	NZAVDOFNWYJNBX-UHFFFAOYSA-N	-1	0	371.384	2.421	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCN2C(=O)[O-])c1	ZINC000739926111	602418930	/nfs/dbraw/zinc/41/89/30/602418930.db2.gz	ZEEQLCXOMCWASN-RYUDHWBXSA-N	-1	0	351.403	2.294	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739138447	602822613	/nfs/dbraw/zinc/82/26/13/602822613.db2.gz	JGZCYVPECDOMMO-YOEHRIQHSA-N	-1	0	360.458	2.474	20	10		FECDRM
O=C([O-])N1CC[C@H](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740425462	602833558	/nfs/dbraw/zinc/83/35/58/602833558.db2.gz	FXDMTSVYSZAEDH-INIZCTEOSA-N	-1	0	358.442	2.252	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc32)NC(=O)[O-])cc1	ZINC000828054976	603025026	/nfs/dbraw/zinc/02/50/26/603025026.db2.gz	ATTPBHFATBPVOI-IAGOWNOFSA-N	-1	0	369.421	2.354	20	10		FECDRM
O=C([O-])N1CC[C@H](CCNC(=O)NCCCSc2nccs2)C1	ZINC000831681306	604336182	/nfs/dbraw/zinc/33/61/82/604336182.db2.gz	SLLBJCBYDMLYIW-NSHDSACASA-N	-1	0	358.489	2.315	20	10		FECDRM
Cc1cc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)c(C)n1-c1ccccn1	ZINC000832868380	604673981	/nfs/dbraw/zinc/67/39/81/604673981.db2.gz	KNYDVCLZXUGWOG-CYBMUJFWSA-N	-1	0	369.381	2.083	20	10		FECDRM
CC(C)Cn1ncnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833495669	605468927	/nfs/dbraw/zinc/46/89/27/605468927.db2.gz	PASXAPCOKXQZOD-UHFFFAOYSA-N	-1	0	352.822	2.380	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnc2n(c1=O)CCS2	ZINC000813682608	674769015	/nfs/dbraw/zinc/76/90/15/674769015.db2.gz	GPZUWZIPFVRWFD-UHFFFAOYSA-N	-1	0	372.233	2.291	20	10		FECDRM
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1c([O-])cccc1F	ZINC000133142048	672106865	/nfs/dbraw/zinc/10/68/65/672106865.db2.gz	AHBNEDHYSBMFKQ-UHFFFAOYSA-N	-1	0	364.398	2.018	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)SC1=S	ZINC000207470311	672788725	/nfs/dbraw/zinc/78/87/25/672788725.db2.gz	VGMWAVAEAKNKGF-MLPAPPSSSA-N	-1	0	359.432	2.217	20	10		FECDRM
CC1(C)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[S@]1=O	ZINC000321937314	673041327	/nfs/dbraw/zinc/04/13/27/673041327.db2.gz	CLGSHZMRHOIYIG-SRHYXSBFSA-N	-1	0	352.412	2.430	20	10		FECDRM
C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000708146866	673064816	/nfs/dbraw/zinc/06/48/16/673064816.db2.gz	SLABFKSYKNZQRI-MRVPVSSYSA-N	-1	0	368.680	2.427	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(F)cc1F	ZINC000732047334	673352053	/nfs/dbraw/zinc/35/20/53/673352053.db2.gz	YCJKZVUBINUHDE-UHFFFAOYSA-N	-1	0	371.317	2.281	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccn2)c(C)n1-c1ccccn1	ZINC000734965599	673477512	/nfs/dbraw/zinc/47/75/12/673477512.db2.gz	SJORGMADIYXCOG-UHFFFAOYSA-N	-1	0	356.407	2.003	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)ccc1O	ZINC000830018643	677021806	/nfs/dbraw/zinc/02/18/06/677021806.db2.gz	PWCPAWXOFKOROL-UHFFFAOYSA-N	-1	0	367.427	2.203	20	10		FECDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]2CCOC[C@@H]21	ZINC000839187376	680743647	/nfs/dbraw/zinc/74/36/47/680743647.db2.gz	SNJOZUHKSQEXSX-OLZOCXBDSA-N	-1	0	366.266	2.087	20	10		FECDRM
COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000751327256	680168165	/nfs/dbraw/zinc/16/81/65/680168165.db2.gz	XFXWMCIJQRNZNN-VIFPVBQESA-N	-1	0	370.358	2.488	20	10		FECDRM
Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753016638	680270763	/nfs/dbraw/zinc/27/07/63/680270763.db2.gz	IWMXDCWVMDWKCO-UHFFFAOYSA-N	-1	0	370.377	2.481	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1[O-]	ZINC000769410361	680981739	/nfs/dbraw/zinc/98/17/39/680981739.db2.gz	BMKPMCZOUVFWHC-TZMCWYRMSA-N	-1	0	374.846	2.495	20	10		FECDRM
Cc1nc(S(=O)(=O)[N-]Cc2ccccc2O)sc1Br	ZINC000771756797	681068094	/nfs/dbraw/zinc/06/80/94/681068094.db2.gz	BFPFXEHHDNFRNW-UHFFFAOYSA-N	-1	0	363.258	2.398	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000775286819	681292381	/nfs/dbraw/zinc/29/23/81/681292381.db2.gz	OTJNULJFTUFSHQ-UHFFFAOYSA-N	-1	0	370.314	2.027	20	10		FECDRM
CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775649076	681321509	/nfs/dbraw/zinc/32/15/09/681321509.db2.gz	KNCHTIZXXHJILN-GFCCVEGCSA-N	-1	0	357.857	2.217	20	10		FECDRM
CS(=O)(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-]	ZINC000775652662	681321959	/nfs/dbraw/zinc/32/19/59/681321959.db2.gz	PEGHIFWGCPELIE-GFCCVEGCSA-N	-1	0	350.843	2.088	20	10		FECDRM
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1O	ZINC000776747511	681432518	/nfs/dbraw/zinc/43/25/18/681432518.db2.gz	FYUUWDZGGUNZJY-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
Cc1nc([C@H]2COCCN2Cc2cccc(Br)c2[O-])no1	ZINC000779612700	681730873	/nfs/dbraw/zinc/73/08/73/681730873.db2.gz	IEHASBUZXWLWNU-GFCCVEGCSA-N	-1	0	354.204	2.420	20	10		FECDRM
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780444719	681828049	/nfs/dbraw/zinc/82/80/49/681828049.db2.gz	VZANYJMNWQMNGK-SFHVURJKSA-N	-1	0	363.483	2.389	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)cc1	ZINC000853010554	682363251	/nfs/dbraw/zinc/36/32/51/682363251.db2.gz	FRQAQCHWQLVZMH-DLBZAZTESA-N	-1	0	372.824	2.407	20	10		FECDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1	ZINC000792702745	682828921	/nfs/dbraw/zinc/82/89/21/682828921.db2.gz	YNVBTNDGUJSFGA-UHFFFAOYSA-N	-1	0	352.437	2.275	20	10		FECDRM
Cc1ccccc1-n1nccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000794870906	683000792	/nfs/dbraw/zinc/00/07/92/683000792.db2.gz	ZNUKCKCDLUOPGE-JYRVWZFOSA-N	-1	0	359.432	2.467	20	10		FECDRM
CNS(=O)(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2[O-])c1C	ZINC000796445903	683162444	/nfs/dbraw/zinc/16/24/44/683162444.db2.gz	XTKOJAOBUCWGIU-UHFFFAOYSA-N	-1	0	351.384	2.129	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1O	ZINC000797819776	683276477	/nfs/dbraw/zinc/27/64/77/683276477.db2.gz	SBYWEFUIRFXCNC-UHFFFAOYSA-N	-1	0	366.370	2.225	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1	ZINC000799124715	683425348	/nfs/dbraw/zinc/42/53/48/683425348.db2.gz	XCVUWMPVFGAXFE-UHFFFAOYSA-N	-1	0	368.798	2.148	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-]	ZINC000862526726	683597567	/nfs/dbraw/zinc/59/75/67/683597567.db2.gz	ZBNLUMPZSMTMGP-NEPJUHHUSA-N	-1	0	360.819	2.105	20	10		FECDRM
Cc1ccc(-c2nc([N-]S(=O)(=O)c3cnnn3C)sc2C)s1	ZINC000863444698	683727816	/nfs/dbraw/zinc/72/78/16/683727816.db2.gz	FXZLJZJTXKCGGG-UHFFFAOYSA-N	-1	0	355.470	2.418	20	10		FECDRM
C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@H]1C(=O)[O-]	ZINC000864613382	683873346	/nfs/dbraw/zinc/87/33/46/683873346.db2.gz	TZBVBIHVSALUSJ-BXUZGUMPSA-N	-1	0	359.451	2.499	20	10		FECDRM
CON1CCC(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1	ZINC000911359757	685202568	/nfs/dbraw/zinc/20/25/68/685202568.db2.gz	FFXPYSAKFCTMKM-UHFFFAOYSA-N	-1	0	370.833	2.122	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)Cn1ccc(C(F)F)n1	ZINC000911359764	685202649	/nfs/dbraw/zinc/20/26/49/685202649.db2.gz	FNDDPOKNTGSGQR-UHFFFAOYSA-N	-1	0	373.743	2.293	20	10		FECDRM
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cn1	ZINC000876575864	686223061	/nfs/dbraw/zinc/22/30/61/686223061.db2.gz	XCQHGWKVXUBBLB-UHFFFAOYSA-N	-1	0	350.325	2.296	20	10		FECDRM
O=C(NC1CC1)N[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894467816	689537929	/nfs/dbraw/zinc/53/79/29/689537929.db2.gz	DSGIEODMNXZPAA-LBPRGKRZSA-N	-1	0	372.238	2.330	20	10		FECDRM
Cn1nccc1[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000897559001	690039138	/nfs/dbraw/zinc/03/91/38/690039138.db2.gz	PRGORFOTGVRUHI-AWEZNQCLSA-N	-1	0	352.778	2.261	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2C)cc1	ZINC000262136528	549791961	/nfs/dbraw/zinc/79/19/61/549791961.db2.gz	RMJQIMUQOGGOQA-LJQANCHMSA-N	-1	0	358.394	2.076	20	10		FECDRM
COC(=O)[C@H](NCc1cc2c(cc1O)OCO2)c1ccc2c(c1)CCO2	ZINC000275168936	550570885	/nfs/dbraw/zinc/57/08/85/550570885.db2.gz	WOBLGDQZJXAAEP-GOSISDBHSA-N	-1	0	357.362	2.060	20	10		FECDRM
NC(=O)C1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1	ZINC000276624024	550579550	/nfs/dbraw/zinc/57/95/50/550579550.db2.gz	RJAMHWVKVQFOQF-UHFFFAOYSA-N	-1	0	373.384	2.191	20	10		FECDRM
CS(=O)(=O)[C@H]1CCCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000278631533	550806208	/nfs/dbraw/zinc/80/62/08/550806208.db2.gz	IFYINMNTKXFDJV-LBPRGKRZSA-N	-1	0	362.835	2.353	20	10		FECDRM
C[C@H]1CN(CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000806665739	674385621	/nfs/dbraw/zinc/38/56/21/674385621.db2.gz	QNJQZEXPSIITEA-JTQLQIEISA-N	-1	0	362.257	2.219	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CCCS(=O)(=O)C1	ZINC000807067455	674403540	/nfs/dbraw/zinc/40/35/40/674403540.db2.gz	DQWOKEQODNTFBV-JTQLQIEISA-N	-1	0	367.254	2.075	20	10		FECDRM
CC(=O)NCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H](C)C(=O)[O-]	ZINC000819752753	597692440	/nfs/dbraw/zinc/69/24/40/597692440.db2.gz	FFTNQMZKSYZLIV-HNNXBMFYSA-N	-1	0	371.437	2.146	20	10		FECDRM
O=C([O-])CNC(=O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1	ZINC000821532339	597828170	/nfs/dbraw/zinc/82/81/70/597828170.db2.gz	JTMAJZAIYZWUIB-UHFFFAOYSA-N	-1	0	357.322	2.165	20	10		FECDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000739538097	600119610	/nfs/dbraw/zinc/11/96/10/600119610.db2.gz	FBEGNZIBHLRKHM-KBPBESRZSA-N	-1	0	354.353	2.094	20	10		FECDRM
CNc1cc2c(nn1)CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737560827	600214185	/nfs/dbraw/zinc/21/41/85/600214185.db2.gz	BJLNQOOCPBBUIK-HYXAFXHYSA-N	-1	0	355.354	2.087	20	10		FECDRM
O=C([O-])c1cccc(CS(=O)(=O)NCCCSc2nccs2)c1	ZINC000740224878	600234481	/nfs/dbraw/zinc/23/44/81/600234481.db2.gz	DAPXVCFRRXEYJA-UHFFFAOYSA-N	-1	0	372.493	2.443	20	10		FECDRM
CN(C)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000737378509	600443396	/nfs/dbraw/zinc/44/33/96/600443396.db2.gz	RQNIFZJOZTXBLK-UHFFFAOYSA-N	-1	0	373.365	2.054	20	10		FECDRM
Cc1cc(C(=O)CN2CC[C@](C)(O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832857790	601183543	/nfs/dbraw/zinc/18/35/43/601183543.db2.gz	AOLSMDVLCNQXIO-FQEVSTJZSA-N	-1	0	356.422	2.432	20	10		FECDRM
O=C([O-])C1=S=C(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C=C1	ZINC000833158255	601252980	/nfs/dbraw/zinc/25/29/80/601252980.db2.gz	SAAZNSIJTYIZJJ-UHFFFAOYSA-N	-1	0	355.375	2.034	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1C(=O)[O-]	ZINC000828361861	601651541	/nfs/dbraw/zinc/65/15/41/601651541.db2.gz	KZSXGTGNEPTBMG-XJKSGUPXSA-N	-1	0	363.483	2.102	20	10		FECDRM
O=C([O-])NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740625442	602096530	/nfs/dbraw/zinc/09/65/30/602096530.db2.gz	RFNNURVTMVIYES-MRXNPFEDSA-N	-1	0	360.458	2.476	20	10		FECDRM
CC(C)N(CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000738838710	602354658	/nfs/dbraw/zinc/35/46/58/602354658.db2.gz	QBFQEANUEZFOOO-UHFFFAOYSA-N	-1	0	363.458	2.260	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CCCCN3C(=O)[O-])CC2)cc1	ZINC000739911040	602503806	/nfs/dbraw/zinc/50/38/06/602503806.db2.gz	VQIXHBNBDKUALO-KRWDZBQOSA-N	-1	0	361.442	2.266	20	10		FECDRM
CN(C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C(=O)[O-]	ZINC000739648870	602618103	/nfs/dbraw/zinc/61/81/03/602618103.db2.gz	HRMITEFWUJUNBR-INIZCTEOSA-N	-1	0	360.458	2.428	20	10		FECDRM
CN(C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1)C(=O)[O-]	ZINC000739648312	602626370	/nfs/dbraw/zinc/62/63/70/602626370.db2.gz	FCXKXXRPORUUKF-HNNXBMFYSA-N	-1	0	360.458	2.210	20	10		FECDRM
CN(CC(F)(F)F)C(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739636130	602649038	/nfs/dbraw/zinc/64/90/38/602649038.db2.gz	XOAKKWKKZLYBIG-UHFFFAOYSA-N	-1	0	359.348	2.228	20	10		FECDRM
C[C@H](C(=O)Nc1ncccn1)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000738636386	602649344	/nfs/dbraw/zinc/64/93/44/602649344.db2.gz	FKPUAZLAOXOGGT-GFCCVEGCSA-N	-1	0	355.398	2.024	20	10		FECDRM
CN1CCCc2cc(CNC(=O)c3csc(CNC(=O)[O-])n3)ccc21	ZINC000739731983	602701216	/nfs/dbraw/zinc/70/12/16/602701216.db2.gz	SGHRQQUEKUHIHM-UHFFFAOYSA-N	-1	0	360.439	2.223	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1NC(=O)[O-]	ZINC000739144077	602936396	/nfs/dbraw/zinc/93/63/96/602936396.db2.gz	WPZJPCYZBBYVLE-RISCZKNCSA-N	-1	0	352.410	2.079	20	10		FECDRM
C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000738956689	602971996	/nfs/dbraw/zinc/97/19/96/602971996.db2.gz	BBAGLFFUCVDXHG-IAOVAPTHSA-N	-1	0	361.442	2.137	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)[O-])cc1	ZINC000828064322	603023957	/nfs/dbraw/zinc/02/39/57/603023957.db2.gz	ORMKNTPGQWGMNY-INIZCTEOSA-N	-1	0	372.381	2.400	20	10		FECDRM
Cc1ccc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cn1	ZINC000830288389	603030284	/nfs/dbraw/zinc/03/02/84/603030284.db2.gz	KISXKNWEAKCURO-KRWDZBQOSA-N	-1	0	356.426	2.124	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccnc2)NC(=O)[O-])cc1	ZINC000828063528	603034175	/nfs/dbraw/zinc/03/41/75/603034175.db2.gz	GLXVSMIWROEXBE-HQWZXOHUSA-N	-1	0	354.410	2.286	20	10		FECDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000739203255	603125511	/nfs/dbraw/zinc/12/55/11/603125511.db2.gz	RQNLDPNADZARJQ-HZMBPMFUSA-N	-1	0	353.394	2.011	20	10		FECDRM
COc1ccc(O)c(CNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1	ZINC000739929846	603142564	/nfs/dbraw/zinc/14/25/64/603142564.db2.gz	GXLZWGJGNJVWGD-UHFFFAOYSA-N	-1	0	373.409	2.447	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])ccc21	ZINC000828488829	603844171	/nfs/dbraw/zinc/84/41/71/603844171.db2.gz	QDOXBSPPMXWGTA-HZPDHXFCSA-N	-1	0	360.458	2.305	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000829484973	603857484	/nfs/dbraw/zinc/85/74/84/603857484.db2.gz	ZEXIUYOKLPVDKB-WDMOLILDSA-N	-1	0	351.403	2.197	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000825228789	604134782	/nfs/dbraw/zinc/13/47/82/604134782.db2.gz	MTEHWBVWDAENCC-TZMCWYRMSA-N	-1	0	366.437	2.469	20	10		FECDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000824825318	604220551	/nfs/dbraw/zinc/22/05/51/604220551.db2.gz	REGDFIPVWVBCNS-UKRRQHHQSA-N	-1	0	350.415	2.146	20	10		FECDRM
O=C([O-])NC[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1	ZINC000832534696	604337601	/nfs/dbraw/zinc/33/76/01/604337601.db2.gz	YLYBJNUVOIICBW-NSHDSACASA-N	-1	0	358.489	2.315	20	10		FECDRM
CN(C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1C(=O)[O-]	ZINC000833685273	604951404	/nfs/dbraw/zinc/95/14/04/604951404.db2.gz	DRIRORPEUULDND-CLFYSBASSA-N	-1	0	371.345	2.015	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1	ZINC000833733593	605033645	/nfs/dbraw/zinc/03/36/45/605033645.db2.gz	KVULDWZRFDGGQG-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000833733773	605034124	/nfs/dbraw/zinc/03/41/24/605034124.db2.gz	PMISOVLRJNGJTI-LLVKDONJSA-N	-1	0	365.407	2.067	20	10		FECDRM
C[C@H](OC[C@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833536913	605282190	/nfs/dbraw/zinc/28/21/90/605282190.db2.gz	UYTDKGHWMVCDSG-SMDDNHRTSA-N	-1	0	371.817	2.043	20	10		FECDRM
O=C([O-])N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000834130288	606015171	/nfs/dbraw/zinc/01/51/71/606015171.db2.gz	MPHWCPZJTUKPLB-ZDUSSCGKSA-N	-1	0	373.425	2.147	20	10		FECDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000739224052	606029730	/nfs/dbraw/zinc/02/97/30/606029730.db2.gz	AYGWENJAHVFMQJ-ZQIUZPCESA-N	-1	0	363.458	2.383	20	10		FECDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000739224051	606030154	/nfs/dbraw/zinc/03/01/54/606030154.db2.gz	AYGWENJAHVFMQJ-VBQJREDUSA-N	-1	0	363.458	2.383	20	10		FECDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	ZINC000817859178	675182951	/nfs/dbraw/zinc/18/29/51/675182951.db2.gz	XMYXOQQJWIWQBA-AAEUAGOBSA-N	-1	0	359.451	2.499	20	10		FECDRM
CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(C)c1	ZINC000162143378	672302322	/nfs/dbraw/zinc/30/23/22/672302322.db2.gz	ZRCMDKCUOUXFFZ-UHFFFAOYSA-N	-1	0	360.395	2.082	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1	ZINC000184885610	672510087	/nfs/dbraw/zinc/51/00/87/672510087.db2.gz	XKEWUQGOFMLVHU-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000186928205	672558644	/nfs/dbraw/zinc/55/86/44/672558644.db2.gz	AEYOMTHHVDSHQB-UHFFFAOYSA-N	-1	0	358.416	2.306	20	10		FECDRM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000236974386	672804863	/nfs/dbraw/zinc/80/48/63/672804863.db2.gz	QDVHRGSICMHLPE-UHFFFAOYSA-N	-1	0	362.451	2.492	20	10		FECDRM
CCOC(=O)CC1(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)CC1	ZINC000840914504	680852604	/nfs/dbraw/zinc/85/26/04/680852604.db2.gz	VXEXSTMRYHPISL-UHFFFAOYSA-N	-1	0	351.783	2.412	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C	ZINC000842588139	680953876	/nfs/dbraw/zinc/95/38/76/680953876.db2.gz	KZHQOAWFSPYEGO-UHFFFAOYSA-N	-1	0	368.411	2.195	20	10		FECDRM
CCc1noc(C)c1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	ZINC000771727288	681066972	/nfs/dbraw/zinc/06/69/72/681066972.db2.gz	WMXUHOIAVPPVNM-UHFFFAOYSA-N	-1	0	364.383	2.340	20	10		FECDRM
COCc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cc1	ZINC000774708776	681224076	/nfs/dbraw/zinc/22/40/76/681224076.db2.gz	WWOKHFXBXUGEKV-UHFFFAOYSA-N	-1	0	364.452	2.491	20	10		FECDRM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)cc1C(N)=O	ZINC000914791159	685509724	/nfs/dbraw/zinc/50/97/24/685509724.db2.gz	ISIILDXBYCGYQS-UHFFFAOYSA-N	-1	0	374.447	2.413	20	10		FECDRM
CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000793465227	682891199	/nfs/dbraw/zinc/89/11/99/682891199.db2.gz	YORYAVBRFHFAAX-UHFFFAOYSA-N	-1	0	364.408	2.210	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1O	ZINC000797819394	683275937	/nfs/dbraw/zinc/27/59/37/683275937.db2.gz	IBXITDXPPYXWGV-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
CC[S@@](C)(=O)=NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000867270147	684235760	/nfs/dbraw/zinc/23/57/60/684235760.db2.gz	LIYHIORGJRGRQL-LJQANCHMSA-N	-1	0	361.272	2.151	20	10		FECDRM
C[C@@]1(CO)CN(S(=O)(=O)c2cc(F)cc(F)c2[O-])c2ccccc2O1	ZINC000872393154	684943220	/nfs/dbraw/zinc/94/32/20/684943220.db2.gz	NAEZPPSYZYYIPM-INIZCTEOSA-N	-1	0	371.361	2.009	20	10		FECDRM
C[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000872839621	685022853	/nfs/dbraw/zinc/02/28/53/685022853.db2.gz	BMIQSVLTULNOMQ-IHRRRGAJSA-N	-1	0	366.483	2.295	20	10		FECDRM
Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1	ZINC000910528657	685070451	/nfs/dbraw/zinc/07/04/51/685070451.db2.gz	AADNFZZWUYEBQX-SFHVURJKSA-N	-1	0	362.813	2.409	20	10		FECDRM
CCn1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1C	ZINC000873882817	685237564	/nfs/dbraw/zinc/23/75/64/685237564.db2.gz	JWRWEVHLDLQGKA-UHFFFAOYSA-N	-1	0	371.224	2.479	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(C)c(C)c1O	ZINC000274786651	550554460	/nfs/dbraw/zinc/55/44/60/550554460.db2.gz	LPKGTHDHHGPEMS-ZDUSSCGKSA-N	-1	0	351.428	2.276	20	10		FECDRM
CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000299269485	553540388	/nfs/dbraw/zinc/54/03/88/553540388.db2.gz	YAROHKOEJMJDQV-UHFFFAOYSA-N	-1	0	373.456	2.244	20	10		FECDRM
CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)c1=N	ZINC000361909563	554937906	/nfs/dbraw/zinc/93/79/06/554937906.db2.gz	VGALTHXLBJWZFB-UHFFFAOYSA-N	-1	0	362.405	2.154	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000408382526	558672402	/nfs/dbraw/zinc/67/24/02/558672402.db2.gz	DDPGHNDUOXXFRA-LBPRGKRZSA-N	-1	0	354.453	2.004	20	10		FECDRM
O=C([O-])CN(Cc1nnc2n1CCCC2)Cc1cc(Cl)ccc1O	ZINC000739793341	600315671	/nfs/dbraw/zinc/31/56/71/600315671.db2.gz	FYIZYDYNWAHOLU-UHFFFAOYSA-N	-1	0	350.806	2.060	20	10		FECDRM
O=C([O-])c1ccc(S(=O)(=O)NCCCSc2nccs2)s1	ZINC000740175253	600323555	/nfs/dbraw/zinc/32/35/55/600323555.db2.gz	IDPSFWOLOAWWCY-UHFFFAOYSA-N	-1	0	364.495	2.364	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000832860053	601562637	/nfs/dbraw/zinc/56/26/37/601562637.db2.gz	YEBQEQKAGSJQFN-QGZVFWFLSA-N	-1	0	360.385	2.201	20	10		FECDRM
C[C@@H](CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(=O)[O-]	ZINC000828303597	601789578	/nfs/dbraw/zinc/78/95/78/601789578.db2.gz	UDWMBIZEVCHRTJ-AWEZNQCLSA-N	-1	0	354.472	2.063	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cc1F	ZINC000739619211	602148620	/nfs/dbraw/zinc/14/86/20/602148620.db2.gz	SIIHCLDCKKDWGD-CYBMUJFWSA-N	-1	0	352.410	2.176	20	10		FECDRM
COc1coc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1=O	ZINC000832642986	602203998	/nfs/dbraw/zinc/20/39/98/602203998.db2.gz	MOTJEYRNCRCZKZ-UHFFFAOYSA-N	-1	0	353.758	2.094	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)CN(CC3CC3)C(=O)[O-])CC2)cc1	ZINC000829424444	602818189	/nfs/dbraw/zinc/81/81/89/602818189.db2.gz	QLGHKIJAQFYRMZ-UHFFFAOYSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CCc2cccnc2)NC(=O)[O-])cc1	ZINC000828064525	603026258	/nfs/dbraw/zinc/02/62/58/603026258.db2.gz	RSUOKDZISIFNIW-QGZVFWFLSA-N	-1	0	356.426	2.205	20	10		FECDRM
CC(C)n1ccc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000824520211	603027150	/nfs/dbraw/zinc/02/71/50/603027150.db2.gz	MLTDWNGYEHESGK-KRWDZBQOSA-N	-1	0	373.457	2.198	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])NC(=O)[O-])cc1	ZINC000828063205	603029014	/nfs/dbraw/zinc/02/90/14/603029014.db2.gz	BVTWHVGGPKBOPL-HNNXBMFYSA-N	-1	0	372.381	2.400	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CCc2nccs2)NC(=O)[O-])cc1	ZINC000828063985	603030733	/nfs/dbraw/zinc/03/07/33/603030733.db2.gz	KVPHZAZGYYGAGI-CQSZACIVSA-N	-1	0	362.455	2.267	20	10		FECDRM
Cc1cc(C)n([C@H](C)C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830016278	603033375	/nfs/dbraw/zinc/03/33/75/603033375.db2.gz	DLXMZHPIOPHYRC-PBHICJAKSA-N	-1	0	373.457	2.252	20	10		FECDRM
C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825115230	603415741	/nfs/dbraw/zinc/41/57/41/603415741.db2.gz	JNCGNECMQAPFRI-CQSZACIVSA-N	-1	0	361.442	2.090	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(O)c2)NC(=O)[O-])cc1	ZINC000828064549	603931939	/nfs/dbraw/zinc/93/19/39/603931939.db2.gz	SEZBMPHCQDCMCQ-KRWDZBQOSA-N	-1	0	357.410	2.126	20	10		FECDRM
O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCCCSc1nccs1	ZINC000832469995	604337537	/nfs/dbraw/zinc/33/75/37/604337537.db2.gz	ZYLQMWOJKPAUFP-MNOVXSKESA-N	-1	0	358.489	2.361	20	10		FECDRM
O=C([O-])N1CCc2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cc2C1	ZINC000831699524	604793491	/nfs/dbraw/zinc/79/34/91/604793491.db2.gz	MBVDKUPNBQIZFA-UHFFFAOYSA-N	-1	0	371.393	2.498	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)CN[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000833695006	604947128	/nfs/dbraw/zinc/94/71/28/604947128.db2.gz	GYVIKACHTKSNPJ-LJQANCHMSA-N	-1	0	355.438	2.127	20	10		FECDRM
CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000833454184	605113469	/nfs/dbraw/zinc/11/34/69/605113469.db2.gz	FOKSMZSUSLELTF-UHFFFAOYSA-N	-1	0	366.433	2.294	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1	ZINC000833733884	605206662	/nfs/dbraw/zinc/20/66/62/605206662.db2.gz	UWDPTTSYVYAMTG-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833747215	605327929	/nfs/dbraw/zinc/32/79/29/605327929.db2.gz	SZTUVURKSLQSSB-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
O=C([O-])N[C@@H]1CCc2ncc(NC(=O)NCc3ccccc3O)cc2C1	ZINC000834197397	605364683	/nfs/dbraw/zinc/36/46/83/605364683.db2.gz	SWHZFIMDZIXFGE-CYBMUJFWSA-N	-1	0	356.382	2.234	20	10		FECDRM
O=C(NCCO)c1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000811838760	674632880	/nfs/dbraw/zinc/63/28/80/674632880.db2.gz	CBPXWQQCFHRHPM-UHFFFAOYSA-N	-1	0	365.773	2.288	20	10		FECDRM
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)c(F)cc2[O-])no1	ZINC000816565384	675065484	/nfs/dbraw/zinc/06/54/84/675065484.db2.gz	NFTTZKWHJUXOOV-LBPRGKRZSA-N	-1	0	357.769	2.288	20	10		FECDRM
O=S(=O)(NC1CCCC1)C1CN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816567173	675065501	/nfs/dbraw/zinc/06/55/01/675065501.db2.gz	SHLXILCWEWUMSS-UHFFFAOYSA-N	-1	0	362.854	2.231	20	10		FECDRM
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000013464107	670006668	/nfs/dbraw/zinc/00/66/68/670006668.db2.gz	FAHCZCVTTHTHFL-UHFFFAOYSA-N	-1	0	365.363	2.068	20	10		FECDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000111992972	670864478	/nfs/dbraw/zinc/86/44/78/670864478.db2.gz	IYTZOCTUTSYQGA-UHFFFAOYSA-N	-1	0	350.440	2.109	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000180235460	672411558	/nfs/dbraw/zinc/41/15/58/672411558.db2.gz	OVPRABHJZSTOQI-CYBMUJFWSA-N	-1	0	368.480	2.394	20	10		FECDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000324605256	673046565	/nfs/dbraw/zinc/04/65/65/673046565.db2.gz	MUGJCYAXHILNCI-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc4c(c3)COC4)n2)cn1	ZINC000743046835	673747687	/nfs/dbraw/zinc/74/76/87/673747687.db2.gz	MXMGSNGJFJQKKI-UHFFFAOYSA-N	-1	0	362.436	2.375	20	10		FECDRM
O=C([O-])c1cc(F)cc(NS(=O)(=O)c2cccc3nsnc32)c1F	ZINC000548556143	673971006	/nfs/dbraw/zinc/97/10/06/673971006.db2.gz	ZBNIKPVCKQIJBW-UHFFFAOYSA-N	-1	0	371.346	2.469	20	10		FECDRM
CC(C)(CCNC(=O)NCc1cccc(Br)c1O)C(=O)[O-]	ZINC000818624184	675229209	/nfs/dbraw/zinc/22/92/09/675229209.db2.gz	PZTQJHCJOUWPNZ-UHFFFAOYSA-N	-1	0	359.220	2.455	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	ZINC000819397394	675288181	/nfs/dbraw/zinc/28/81/81/675288181.db2.gz	CAUDQOSKZWKCOO-XELLLNAOSA-N	-1	0	363.435	2.394	20	10		FECDRM
CCn1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c([N+](=O)[O-])n1	ZINC000751587812	680188209	/nfs/dbraw/zinc/18/82/09/680188209.db2.gz	GPAGCDDZIGXLSS-UHFFFAOYSA-N	-1	0	369.384	2.329	20	10		FECDRM
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000758774379	680606867	/nfs/dbraw/zinc/60/68/67/680606867.db2.gz	QNRSQQVKEZLKNI-UHFFFAOYSA-N	-1	0	352.324	2.009	20	10		FECDRM
C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)S(C)(=O)=O	ZINC000841436306	680881702	/nfs/dbraw/zinc/88/17/02/680881702.db2.gz	OTICAIDWOWCYRP-JGVFFNPUSA-N	-1	0	354.255	2.384	20	10		FECDRM
Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)c1	ZINC000843037806	680984191	/nfs/dbraw/zinc/98/41/91/680984191.db2.gz	BLBIYPSNZQMNNM-GFCCVEGCSA-N	-1	0	354.204	2.112	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000844215266	681045077	/nfs/dbraw/zinc/04/50/77/681045077.db2.gz	GLJQSIQYJQOCSO-BSDYTAMGSA-N	-1	0	360.288	2.442	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1CC(=O)[O-]	ZINC000774620919	681211831	/nfs/dbraw/zinc/21/18/31/681211831.db2.gz	NTOCZZLNQIJTBJ-UHFFFAOYSA-N	-1	0	351.380	2.137	20	10		FECDRM
COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1	ZINC000848591482	681585511	/nfs/dbraw/zinc/58/55/11/681585511.db2.gz	NADKNLMWVBNOFW-INIZCTEOSA-N	-1	0	351.447	2.130	20	10		FECDRM
COc1ccc(N2CCCN(S(=O)(=O)c3ccccc3[O-])CC2)cc1	ZINC000849371286	681698451	/nfs/dbraw/zinc/69/84/51/681698451.db2.gz	LTPLXKJVKQCQIG-UHFFFAOYSA-N	-1	0	362.451	2.302	20	10		FECDRM
O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1c(F)ccc(O)c1[O-]	ZINC000789965861	682641352	/nfs/dbraw/zinc/64/13/52/682641352.db2.gz	JXRMIPOJBRPLSD-UHFFFAOYSA-N	-1	0	350.321	2.465	20	10		FECDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000790417166	682675063	/nfs/dbraw/zinc/67/50/63/682675063.db2.gz	JJZDONLFWNCGGB-UHFFFAOYSA-N	-1	0	355.437	2.159	20	10		FECDRM
NC(=O)c1ccc(N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)nc1	ZINC000792163376	682792732	/nfs/dbraw/zinc/79/27/32/682792732.db2.gz	YLTAWYJXYGQIFH-UHFFFAOYSA-N	-1	0	364.808	2.001	20	10		FECDRM
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1	ZINC000920040476	683314408	/nfs/dbraw/zinc/31/44/08/683314408.db2.gz	SAUJUUWSMYYNRY-NSHDSACASA-N	-1	0	366.414	2.436	20	10		FECDRM
COc1ccc(N2CCN(CCNc3ncc(C(=O)[O-])s3)CC2)cc1	ZINC000864512127	683863176	/nfs/dbraw/zinc/86/31/76/683863176.db2.gz	ZOJJLENPLFVURX-UHFFFAOYSA-N	-1	0	362.455	2.084	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)CCc2cccs2)cc1	ZINC000872967218	685041036	/nfs/dbraw/zinc/04/10/36/685041036.db2.gz	CLOYUHPYAZUZRS-UHFFFAOYSA-N	-1	0	362.451	2.349	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCCC[C@@H]2C(F)F)cc1	ZINC000872990852	685044731	/nfs/dbraw/zinc/04/47/31/685044731.db2.gz	PYDMDUQPSVJTIY-CQSZACIVSA-N	-1	0	356.369	2.232	20	10		FECDRM
CC(C)n1ccc(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1	ZINC000911360572	685202997	/nfs/dbraw/zinc/20/29/97/685202997.db2.gz	VDEDSFBXYCUTSY-UHFFFAOYSA-N	-1	0	365.817	2.479	20	10		FECDRM
C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894565340	689555875	/nfs/dbraw/zinc/55/58/75/689555875.db2.gz	DRMYHLAPFYFWQG-VIFPVBQESA-N	-1	0	366.252	2.303	20	10		FECDRM
COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2OC)c1	ZINC000901703162	690681412	/nfs/dbraw/zinc/68/14/12/690681412.db2.gz	CSKZRORHINKOAU-UHFFFAOYSA-N	-1	0	353.396	2.357	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccnn1CC1CCC1	ZINC000901929265	690715651	/nfs/dbraw/zinc/71/56/51/690715651.db2.gz	ATXMSZSTIOKYLD-UHFFFAOYSA-N	-1	0	351.428	2.336	20	10		FECDRM
C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000780478058	939126804	/nfs/dbraw/zinc/12/68/04/939126804.db2.gz	KRUAJFFAICYMMY-DJJJIMSYSA-N	-1	0	361.442	2.137	20	10		FECDRM
CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019110024	539651669	/nfs/dbraw/zinc/65/16/69/539651669.db2.gz	ZLQFSOMRLFTKME-UHFFFAOYSA-N	-1	0	362.436	2.242	20	10		FECDRM
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1	ZINC000055679272	136127285	/nfs/dbraw/zinc/12/72/85/136127285.db2.gz	SRGPSEZKFYSLKV-UHFFFAOYSA-N	-1	0	362.407	2.022	20	10		FECDRM
CCn1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000805135133	674321901	/nfs/dbraw/zinc/32/19/01/674321901.db2.gz	GUFLJPYVBDRLRF-UHFFFAOYSA-N	-1	0	350.227	2.394	20	10		FECDRM
NC(=O)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])o1	ZINC000805168771	674324025	/nfs/dbraw/zinc/32/40/25/674324025.db2.gz	WYMRLOFZDIPBON-UHFFFAOYSA-N	-1	0	358.181	2.390	20	10		FECDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	ZINC000179969786	547034806	/nfs/dbraw/zinc/03/48/06/547034806.db2.gz	MPGYJIPRQOXBTL-ZWKOTPCHSA-N	-1	0	374.481	2.403	20	10		FECDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000183638733	547693277	/nfs/dbraw/zinc/69/32/77/547693277.db2.gz	WGHMGZAJMIXMMX-AWEZNQCLSA-N	-1	0	359.392	2.414	20	10		FECDRM
NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000192723482	548372085	/nfs/dbraw/zinc/37/20/85/548372085.db2.gz	WIIBINWWVDBTCX-UHFFFAOYSA-N	-1	0	368.827	2.244	20	10		FECDRM
O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)CC2	ZINC000372927011	557590054	/nfs/dbraw/zinc/59/00/54/557590054.db2.gz	YFAIHZJQZRXQCA-PXPSOEEZSA-N	-1	0	370.449	2.250	20	10		FECDRM
CC1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1	ZINC000372957451	557596961	/nfs/dbraw/zinc/59/69/61/557596961.db2.gz	MYTAHXLGNGIQEM-QPJJXVBHSA-N	-1	0	358.438	2.250	20	10		FECDRM
Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807513122	674418316	/nfs/dbraw/zinc/41/83/16/674418316.db2.gz	GQQQDNWMFPODNO-UHFFFAOYSA-N	-1	0	371.224	2.304	20	10		FECDRM
Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(=O)[nH]1	ZINC000807512780	674418355	/nfs/dbraw/zinc/41/83/55/674418355.db2.gz	JCHCQOXJLBSACO-UHFFFAOYSA-N	-1	0	370.192	2.363	20	10		FECDRM
O=C([O-])CSCCC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000739847322	599965966	/nfs/dbraw/zinc/96/59/66/599965966.db2.gz	ZWLQSPAJRDGEEA-UHFFFAOYSA-N	-1	0	354.497	2.064	20	10		FECDRM
CC1CCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1	ZINC000736792252	600144484	/nfs/dbraw/zinc/14/44/84/600144484.db2.gz	UNBLDEXOCTVDJD-UHFFFAOYSA-N	-1	0	354.834	2.191	20	10		FECDRM
O=C([O-])CN(CC(=O)NCc1cccs1)Cc1cc(Cl)ccc1O	ZINC000739783587	600144691	/nfs/dbraw/zinc/14/46/91/600144691.db2.gz	AFCVAJNLTBVCHB-UHFFFAOYSA-N	-1	0	368.842	2.310	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	ZINC000739622422	600241171	/nfs/dbraw/zinc/24/11/71/600241171.db2.gz	BBMUAQQYMVDUFY-QPBFKRLHSA-N	-1	0	359.382	2.284	20	10		FECDRM
C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000736646325	600491983	/nfs/dbraw/zinc/49/19/83/600491983.db2.gz	SZOQDAZJMORDFY-GOEBONIOSA-N	-1	0	361.442	2.090	20	10		FECDRM
CN(C)c1ccc(CNC(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1	ZINC000737376209	600637683	/nfs/dbraw/zinc/63/76/83/600637683.db2.gz	QJSAAXOQUKWMOZ-UHFFFAOYSA-N	-1	0	363.443	2.333	20	10		FECDRM
COc1cc(N(C)CC(=O)Nc2ccccc2C(=O)[O-])cc(OC)c1OC	ZINC000737891349	600970142	/nfs/dbraw/zinc/97/01/42/600970142.db2.gz	FSADCBRIISVMFS-UHFFFAOYSA-N	-1	0	374.393	2.486	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)c3ccnc(C(=O)[O-])c3)CC2)cc1	ZINC000832383449	601245805	/nfs/dbraw/zinc/24/58/05/601245805.db2.gz	GYQNNAADGUOQMK-UHFFFAOYSA-N	-1	0	355.394	2.187	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)CC2)cc1	ZINC000832384244	601493669	/nfs/dbraw/zinc/49/36/69/601493669.db2.gz	VQNAQJIJRBARLK-DYVFJYSZSA-N	-1	0	361.442	2.026	20	10		FECDRM
C[C@H](CC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000827279085	602141040	/nfs/dbraw/zinc/14/10/40/602141040.db2.gz	AEVDIPXSYDSOTD-LLVKDONJSA-N	-1	0	356.369	2.484	20	10		FECDRM
O=C([O-])CCc1nnc(NC(=O)NCCCSc2nccs2)s1	ZINC000833241698	602208593	/nfs/dbraw/zinc/20/85/93/602208593.db2.gz	LEMQLZIPANNQIK-UHFFFAOYSA-N	-1	0	373.485	2.316	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCCCN(C(=O)[O-])C2CC2)c1	ZINC000739924527	602417067	/nfs/dbraw/zinc/41/70/67/602417067.db2.gz	BDSWRWFZZAKXQO-LLVKDONJSA-N	-1	0	351.403	2.294	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000739925555	602574641	/nfs/dbraw/zinc/57/46/41/602574641.db2.gz	PHPQVCVDZUGFQH-WBMJQRKESA-N	-1	0	358.394	2.457	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000739925554	602574792	/nfs/dbraw/zinc/57/47/92/602574792.db2.gz	PHPQVCVDZUGFQH-MLGOLLRUSA-N	-1	0	358.394	2.457	20	10		FECDRM
COc1cccc(CNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1O	ZINC000739943271	602590711	/nfs/dbraw/zinc/59/07/11/602590711.db2.gz	BGZJCWVKOOQMLY-UHFFFAOYSA-N	-1	0	373.409	2.447	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)NCCCN(Cc1cccnc1)C(=O)[O-]	ZINC000739715892	602637393	/nfs/dbraw/zinc/63/73/93/602637393.db2.gz	SDBFTTCUTVBMRS-UHFFFAOYSA-N	-1	0	372.425	2.499	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1NC(=O)[O-]	ZINC000739144078	602936323	/nfs/dbraw/zinc/93/63/23/602936323.db2.gz	WPZJPCYZBBYVLE-SMDDNHRTSA-N	-1	0	352.410	2.079	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC2(Cl)Cl)NC(=O)[O-])cc1	ZINC000828056410	603027060	/nfs/dbraw/zinc/02/70/60/603027060.db2.gz	PVDYAHAFYFZXRL-RYUDHWBXSA-N	-1	0	360.241	2.371	20	10		FECDRM
CC(=O)c1c[nH]c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000823627385	603030247	/nfs/dbraw/zinc/03/02/47/603030247.db2.gz	GEPOAMRPSFROAW-INIZCTEOSA-N	-1	0	358.398	2.022	20	10		FECDRM
COc1ccc(O)c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000829482999	603931846	/nfs/dbraw/zinc/93/18/46/603931846.db2.gz	CFSFPHAGMSLICN-INIZCTEOSA-N	-1	0	373.409	2.206	20	10		FECDRM
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCN(C(=O)[O-])CC1	ZINC000827801287	604040935	/nfs/dbraw/zinc/04/09/35/604040935.db2.gz	NKOGFVRVVQJVHB-UHFFFAOYSA-N	-1	0	358.442	2.347	20	10		FECDRM
O=C([O-])N1CCCC[C@H]1CNC(=O)NCCCSc1nccs1	ZINC000831681563	604334967	/nfs/dbraw/zinc/33/49/67/604334967.db2.gz	UXOCKJOJDWSNDS-NSHDSACASA-N	-1	0	358.489	2.457	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])co2)cc1F	ZINC000833654435	605202806	/nfs/dbraw/zinc/20/28/06/605202806.db2.gz	PNTMLRXAIKRHML-UHFFFAOYSA-N	-1	0	370.402	2.442	20	10		FECDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000825825387	605384421	/nfs/dbraw/zinc/38/44/21/605384421.db2.gz	ZSBQPMKJHOTWBG-WCQYABFASA-N	-1	0	352.410	2.222	20	10		FECDRM
O=C([O-])N1CC[C@H](N(C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)C1	ZINC000831929304	605403601	/nfs/dbraw/zinc/40/36/01/605403601.db2.gz	TVPJOEOOLOEPIF-SFHVURJKSA-N	-1	0	370.453	2.489	20	10		FECDRM
O=C([O-])N[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	ZINC000834128216	605645577	/nfs/dbraw/zinc/64/55/77/605645577.db2.gz	UATRGGMLNDHSFU-INIZCTEOSA-N	-1	0	363.483	2.292	20	10		FECDRM
O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000834183598	605710470	/nfs/dbraw/zinc/71/04/70/605710470.db2.gz	LURICIRDZQGLMM-UONOGXRCSA-N	-1	0	350.415	2.363	20	10		FECDRM
CCc1nn(Cc2ccc(N(C)CC)cc2)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000821518182	606171610	/nfs/dbraw/zinc/17/16/10/606171610.db2.gz	QOEIWQORZYMPTK-UHFFFAOYSA-N	-1	0	367.457	2.053	20	10		FECDRM
CC(C)OCc1cc([N-]S(=O)(=O)c2cnc3n2CCC3)ccc1O	ZINC000811703597	674621669	/nfs/dbraw/zinc/62/16/69/674621669.db2.gz	WRWIQRQWFIUQLX-UHFFFAOYSA-N	-1	0	351.428	2.261	20	10		FECDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000111980857	670863425	/nfs/dbraw/zinc/86/34/25/670863425.db2.gz	AWVCDZYLOXMZNP-UHFFFAOYSA-N	-1	0	368.430	2.329	20	10		FECDRM
O=C(CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)NC1CC1	ZINC000120761058	671935077	/nfs/dbraw/zinc/93/50/77/671935077.db2.gz	MOKKPQKPAFYMSQ-UHFFFAOYSA-N	-1	0	358.269	2.095	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1	ZINC000194367650	672758060	/nfs/dbraw/zinc/75/80/60/672758060.db2.gz	WTQOAHASIDAVRG-RNCFNFMXSA-N	-1	0	362.348	2.281	20	10		FECDRM
C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Br)cc(F)c1[O-]	ZINC000715819288	673073860	/nfs/dbraw/zinc/07/38/60/673073860.db2.gz	VTHVJOVABKXFPL-QMMMGPOBSA-N	-1	0	354.241	2.159	20	10		FECDRM
COc1c(O)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000825124680	675637821	/nfs/dbraw/zinc/63/78/21/675637821.db2.gz	WAFBPIBWTWOIIQ-RNCFNFMXSA-N	-1	0	350.293	2.054	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2sc(C)nc2C)ccc1O	ZINC000830018034	677021758	/nfs/dbraw/zinc/02/17/58/677021758.db2.gz	CREZFSZQCQMZMS-UHFFFAOYSA-N	-1	0	356.425	2.443	20	10		FECDRM
COc1cc(OC)cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000753520192	680302006	/nfs/dbraw/zinc/30/20/06/680302006.db2.gz	FEXQCCNXIDNTJS-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)c1	ZINC000753919624	680324503	/nfs/dbraw/zinc/32/45/03/680324503.db2.gz	XLUOHPVMWDXZIT-UHFFFAOYSA-N	-1	0	365.392	2.386	20	10		FECDRM
COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000769469932	680984108	/nfs/dbraw/zinc/98/41/08/680984108.db2.gz	HUCIXDQRJALPAS-LLVKDONJSA-N	-1	0	360.819	2.434	20	10		FECDRM
COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000769671384	680991154	/nfs/dbraw/zinc/99/11/54/680991154.db2.gz	DGQJTTNWGGFRLT-UHFFFAOYSA-N	-1	0	364.339	2.078	20	10		FECDRM
O=C([O-])c1cnn2c1[nH]c(CN1CCc3sc(Cl)cc3C1)cc2=O	ZINC000846260436	681213758	/nfs/dbraw/zinc/21/37/58/681213758.db2.gz	HZHWECBDTDOQHP-UHFFFAOYSA-N	-1	0	364.814	2.406	20	10		FECDRM
COCCCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000775644185	681320799	/nfs/dbraw/zinc/32/07/99/681320799.db2.gz	GAQSJOUBKCGBEZ-CYBMUJFWSA-N	-1	0	365.854	2.210	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000847463965	681382337	/nfs/dbraw/zinc/38/23/37/681382337.db2.gz	FLTHOGHKQOPVHQ-NSHDSACASA-N	-1	0	374.224	2.481	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000776433373	681391165	/nfs/dbraw/zinc/39/11/65/681391165.db2.gz	SPMQMHAQAXLYMW-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)n2)cn1	ZINC000778079842	681568461	/nfs/dbraw/zinc/56/84/61/681568461.db2.gz	AHDPHVKKFNJTFI-UHFFFAOYSA-N	-1	0	364.408	2.073	20	10		FECDRM
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000848576574	681581020	/nfs/dbraw/zinc/58/10/20/681581020.db2.gz	TWWCNWHHBZEXEP-INIZCTEOSA-N	-1	0	365.499	2.396	20	10		FECDRM
CC(C)[C@H](CNC(=O)NCc1cccc(Br)c1O)C(=O)[O-]	ZINC000848588840	681584825	/nfs/dbraw/zinc/58/48/25/681584825.db2.gz	AOZJWQIBMXBBOU-JTQLQIEISA-N	-1	0	359.220	2.311	20	10		FECDRM
CN1CN(Cc2cc(Br)cc(Br)c2[O-])CC1=O	ZINC000782149982	682011325	/nfs/dbraw/zinc/01/13/25/682011325.db2.gz	LBEYTPNLAZOYSE-UHFFFAOYSA-N	-1	0	364.037	2.149	20	10		FECDRM
O=C([O-])C1=CC(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)=S=C1	ZINC000782202012	682016504	/nfs/dbraw/zinc/01/65/04/682016504.db2.gz	ZVBBTGPZTFBSJH-XNWCZRBMSA-N	-1	0	350.739	2.316	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1F	ZINC000797719543	683267324	/nfs/dbraw/zinc/26/73/24/683267324.db2.gz	PNZWHHLXOWGUDV-QGZVFWFLSA-N	-1	0	369.462	2.431	20	10		FECDRM
NC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccc(O)cc2)c1	ZINC000799519869	683464374	/nfs/dbraw/zinc/46/43/74/683464374.db2.gz	XXQYBMUPXJIUTM-UHFFFAOYSA-N	-1	0	371.212	2.054	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(Cl)o2)cc1	ZINC000872943299	685037509	/nfs/dbraw/zinc/03/75/09/685037509.db2.gz	FKSIDKUZRFJPGF-UHFFFAOYSA-N	-1	0	352.774	2.149	20	10		FECDRM
O=C([O-])c1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1	ZINC000911228983	685185910	/nfs/dbraw/zinc/18/59/10/685185910.db2.gz	WUGHNRQGSNAWNY-UHFFFAOYSA-N	-1	0	357.435	2.263	20	10		FECDRM
CCn1ncc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1C	ZINC000911360573	685202946	/nfs/dbraw/zinc/20/29/46/685202946.db2.gz	VEVKKOYMULOCRX-UHFFFAOYSA-N	-1	0	351.790	2.297	20	10		FECDRM
COc1ccc(N2CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)cc1F	ZINC000911579170	685227605	/nfs/dbraw/zinc/22/76/05/685227605.db2.gz	DTOZAWNZGJHXPY-UHFFFAOYSA-N	-1	0	352.406	2.374	20	10		FECDRM
Cc1cc(C(=O)N2CCN(Cc3ccc(F)c(F)c3[O-])[C@H](C)C2)[nH]n1	ZINC000877578276	686414786	/nfs/dbraw/zinc/41/47/86/686414786.db2.gz	BADHSNQAKSRXNK-LLVKDONJSA-N	-1	0	350.369	2.048	20	10		FECDRM
COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000894002471	689446944	/nfs/dbraw/zinc/44/69/44/689446944.db2.gz	PPGOZRCPZOEWKE-NSHDSACASA-N	-1	0	364.623	2.182	20	10		FECDRM
COC[C@H](NCc1cc(Cl)cc(Br)c1[O-])C(=O)OC	ZINC000894539355	689550146	/nfs/dbraw/zinc/55/01/46/689550146.db2.gz	QUACBFJLWOYKGR-JTQLQIEISA-N	-1	0	352.612	2.086	20	10		FECDRM
C[S@@](=N)(=O)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000895471480	689722141	/nfs/dbraw/zinc/72/21/41/689722141.db2.gz	XGTAJNQTYOVVRZ-FQEVSTJZSA-N	-1	0	366.256	2.003	20	10		FECDRM
[O-]c1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@]2(O)C1	ZINC000895651940	689749996	/nfs/dbraw/zinc/74/99/96/689749996.db2.gz	DSWLAINMHGPUDK-UFBFGSQYSA-N	-1	0	363.049	2.484	20	10		FECDRM
O=C([O-])[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	ZINC000852951232	939240351	/nfs/dbraw/zinc/24/03/51/939240351.db2.gz	PHXMDPOUAFCQCD-DOMZBBRYSA-N	-1	0	368.380	2.484	20	10		FECDRM
C[C@H](CS(C)(=O)=O)N(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000093392134	542930661	/nfs/dbraw/zinc/93/06/61/542930661.db2.gz	ACXZROFXROMCCK-SECBINFHSA-N	-1	0	362.835	2.351	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1[O-]	ZINC000157022993	545690633	/nfs/dbraw/zinc/69/06/33/545690633.db2.gz	GTEIVHDXZPEAOL-LBPRGKRZSA-N	-1	0	360.819	2.105	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2C)cc1	ZINC000262136526	549791793	/nfs/dbraw/zinc/79/17/93/549791793.db2.gz	RMJQIMUQOGGOQA-IBGZPJMESA-N	-1	0	358.394	2.076	20	10		FECDRM
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	ZINC000278382463	550779237	/nfs/dbraw/zinc/77/92/37/550779237.db2.gz	LXYPWWXJUVOSGW-QKCSRTOESA-N	-1	0	350.371	2.083	20	10		FECDRM
CN(C(=O)c1c(F)ccc(O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000294792669	552934709	/nfs/dbraw/zinc/93/47/09/552934709.db2.gz	AYIMKQBDWQJUOZ-SNVBAGLBSA-N	-1	0	354.378	2.318	20	10		FECDRM
CN(c1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1)C1CCCCC1	ZINC000294973987	552948431	/nfs/dbraw/zinc/94/84/31/552948431.db2.gz	QYOSDXUTVHXFLL-UHFFFAOYSA-N	-1	0	371.441	2.062	20	10		FECDRM
CC(C)c1nnc(CNC(=O)NCc2cccc(Br)c2O)[nH]1	ZINC000298110710	553385563	/nfs/dbraw/zinc/38/55/63/553385563.db2.gz	MUNXVDAIHGSQIA-UHFFFAOYSA-N	-1	0	368.235	2.396	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1NC(=O)C[C@@H]1C(F)(F)F	ZINC000366219340	555784685	/nfs/dbraw/zinc/78/46/85/555784685.db2.gz	SEHCVJBLQWUFRY-XVKPBYJWSA-N	-1	0	371.142	2.382	20	10		FECDRM
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000370367597	556852592	/nfs/dbraw/zinc/85/25/92/556852592.db2.gz	PZMUODDWSJMXEF-DGCLKSJQSA-N	-1	0	358.778	2.106	20	10		FECDRM
CN(C)c1ncnc2c1CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2	ZINC000371384767	557169577	/nfs/dbraw/zinc/16/95/77/557169577.db2.gz	VACFQDDVFSEWRY-UHFFFAOYSA-N	-1	0	363.805	2.368	20	10		FECDRM
O=S(=O)(C1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1	ZINC000374348190	557869455	/nfs/dbraw/zinc/86/94/55/557869455.db2.gz	GBXCSMLCIAKIQG-UHFFFAOYSA-N	-1	0	358.891	2.436	20	10		FECDRM
CCOC(=O)c1cn(C)[n-]c1=NC(=O)NCc1c(C)c2ccccc2n1C	ZINC000469927627	560969207	/nfs/dbraw/zinc/96/92/07/560969207.db2.gz	KQJXDUYIMHEWFM-UHFFFAOYSA-N	-1	0	369.425	2.719	20	10		FECDRM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCNC(=O)[O-])cc1	ZINC000737376460	599753233	/nfs/dbraw/zinc/75/32/33/599753233.db2.gz	FACGIRLTZBSESA-QGZVFWFLSA-N	-1	0	363.458	2.308	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000739627725	599922896	/nfs/dbraw/zinc/92/28/96/599922896.db2.gz	ZEXVKANRYDYHEL-KXQLTZBTSA-N	-1	0	357.370	2.201	20	10		FECDRM
O=C([O-])CN(Cc1cc(=O)n2ccccc2n1)Cc1cc(Cl)ccc1O	ZINC000739794396	600145724	/nfs/dbraw/zinc/14/57/24/600145724.db2.gz	XPMAZOHZYLWILB-UHFFFAOYSA-N	-1	0	373.796	2.140	20	10		FECDRM
O=C([O-])CNC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21	ZINC000739808673	600179502	/nfs/dbraw/zinc/17/95/02/600179502.db2.gz	HESOQKOTESSHAR-UHFFFAOYSA-N	-1	0	354.406	2.219	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)CC2)cc1	ZINC000832384243	601493544	/nfs/dbraw/zinc/49/35/44/601493544.db2.gz	VQNAQJIJRBARLK-CXAGYDPISA-N	-1	0	361.442	2.026	20	10		FECDRM
C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000739022158	602506513	/nfs/dbraw/zinc/50/65/13/602506513.db2.gz	SUYTWOWAYZFKLU-YOEHRIQHSA-N	-1	0	361.442	2.233	20	10		FECDRM
O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000740576958	603026571	/nfs/dbraw/zinc/02/65/71/603026571.db2.gz	ZZAFNSWKQADOLA-HZPDHXFCSA-N	-1	0	363.483	2.292	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC2(Cl)Cl)NC(=O)[O-])cc1	ZINC000828056407	603027089	/nfs/dbraw/zinc/02/70/89/603027089.db2.gz	PVDYAHAFYFZXRL-NWDGAFQWSA-N	-1	0	360.241	2.371	20	10		FECDRM
CC(C)n1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000824520206	603030446	/nfs/dbraw/zinc/03/04/46/603030446.db2.gz	MGOAYXLXPKQOSR-INIZCTEOSA-N	-1	0	359.430	2.269	20	10		FECDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000739203258	603125639	/nfs/dbraw/zinc/12/56/39/603125639.db2.gz	RQNLDPNADZARJQ-IINYFYTJSA-N	-1	0	353.394	2.011	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000739716652	603394768	/nfs/dbraw/zinc/39/47/68/603394768.db2.gz	UGBIBHWGYGQMAP-UHFFFAOYSA-N	-1	0	361.329	2.218	20	10		FECDRM
O=C([O-])N1CCC[C@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000831319306	603585762	/nfs/dbraw/zinc/58/57/62/603585762.db2.gz	IRFVGEDEORNVHZ-JKSUJKDBSA-N	-1	0	362.426	2.432	20	10		FECDRM
COc1ccc(O)c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000829483001	603931797	/nfs/dbraw/zinc/93/17/97/603931797.db2.gz	CFSFPHAGMSLICN-MRXNPFEDSA-N	-1	0	373.409	2.206	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(O)c2)NC(=O)[O-])cc1	ZINC000828064550	603932001	/nfs/dbraw/zinc/93/20/01/603932001.db2.gz	SEZBMPHCQDCMCQ-QGZVFWFLSA-N	-1	0	357.410	2.126	20	10		FECDRM
O=C([O-])NC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	ZINC000832206135	604105907	/nfs/dbraw/zinc/10/59/07/604105907.db2.gz	CVFVVEYOGRTFFI-UHFFFAOYSA-N	-1	0	363.483	2.436	20	10		FECDRM
O=C([O-])c1csc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1	ZINC000833145057	604543700	/nfs/dbraw/zinc/54/37/00/604543700.db2.gz	BSOFYPHGBSIOHY-UHFFFAOYSA-N	-1	0	371.418	2.077	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1	ZINC000833733754	605034067	/nfs/dbraw/zinc/03/40/67/605034067.db2.gz	OPNSSTPHJAUBJP-LLVKDONJSA-N	-1	0	365.407	2.280	20	10		FECDRM
O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCc1ccc(N2CCCC2)cc1	ZINC000831517439	605264202	/nfs/dbraw/zinc/26/42/02/605264202.db2.gz	RYYVDHHNLWGPDG-KRWDZBQOSA-N	-1	0	361.442	2.062	20	10		FECDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000825825385	605384438	/nfs/dbraw/zinc/38/44/38/605384438.db2.gz	ZSBQPMKJHOTWBG-AAEUAGOBSA-N	-1	0	352.410	2.222	20	10		FECDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCCSc1nccs1	ZINC000825825361	605412404	/nfs/dbraw/zinc/41/24/04/605412404.db2.gz	ZPQQXJJLCDTUMU-GHMZBOCLSA-N	-1	0	358.489	2.455	20	10		FECDRM
CN(CC(=O)NCc1cc(F)cc(F)c1)c1ccc(OCC(=O)[O-])cc1	ZINC000833691391	605435965	/nfs/dbraw/zinc/43/59/65/605435965.db2.gz	DSBXEYPEIMOXHM-UHFFFAOYSA-N	-1	0	364.348	2.181	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C[C@H]2CSCCN2C(=O)[O-])cc1	ZINC000828355162	605596343	/nfs/dbraw/zinc/59/63/43/605596343.db2.gz	IWMIVCWAOUZQGD-HNNXBMFYSA-N	-1	0	351.472	2.197	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	ZINC000833815482	605677856	/nfs/dbraw/zinc/67/78/56/605677856.db2.gz	HROQGNBAKVFXRJ-MNOVXSKESA-N	-1	0	358.489	2.313	20	10		FECDRM
COC(=O)[C@@H]1CCc2sc(NC(=O)c3c(F)ccc(O)c3[O-])nc2C1	ZINC000817765949	675175510	/nfs/dbraw/zinc/17/55/10/675175510.db2.gz	IERMWTSRGDWLQJ-SSDOTTSWSA-N	-1	0	366.370	2.224	20	10		FECDRM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2)n[nH]1	ZINC000162158217	672302209	/nfs/dbraw/zinc/30/22/09/672302209.db2.gz	HHMFLYAMTAWVLT-UHFFFAOYSA-N	-1	0	356.367	2.117	20	10		FECDRM
O=C1CCCc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2N1	ZINC000163403673	672309057	/nfs/dbraw/zinc/30/90/57/672309057.db2.gz	OIHTYZZXQVDOMX-UHFFFAOYSA-N	-1	0	358.379	2.298	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC000184968603	672514584	/nfs/dbraw/zinc/51/45/84/672514584.db2.gz	GEQBFFCBQVOMFS-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000324038351	673044598	/nfs/dbraw/zinc/04/45/98/673044598.db2.gz	QNKOOKVOAVXQBE-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCS1(=O)=O	ZINC000708216922	673065503	/nfs/dbraw/zinc/06/55/03/673065503.db2.gz	WAHZHUGCSGOZJM-MRVPVSSYSA-N	-1	0	368.680	2.427	20	10		FECDRM
CCN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000715773005	673073703	/nfs/dbraw/zinc/07/37/03/673073703.db2.gz	QYKGXRSDPXMPDC-NSHDSACASA-N	-1	0	366.252	2.303	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2cnn(-c3ccc(F)cc3)c2)SC1=S	ZINC000728201848	673196051	/nfs/dbraw/zinc/19/60/51/673196051.db2.gz	SGMDTEGVXHKVOX-LFYBBSHMSA-N	-1	0	363.395	2.297	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000729536709	673238968	/nfs/dbraw/zinc/23/89/68/673238968.db2.gz	LYMHXCMDPCYVAL-LLVKDONJSA-N	-1	0	364.423	2.263	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)o1	ZINC000730932904	673295655	/nfs/dbraw/zinc/29/56/55/673295655.db2.gz	UGSDXRNHYIPNMN-UHFFFAOYSA-N	-1	0	365.392	2.386	20	10		FECDRM
COc1nccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840731416	680839791	/nfs/dbraw/zinc/83/97/91/680839791.db2.gz	MQHZZJXFVSJBCA-PKNBQFBNSA-N	-1	0	367.452	2.331	20	10		FECDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047420	680864266	/nfs/dbraw/zinc/86/42/66/680864266.db2.gz	HVRWHIWGZGUTIT-UHFFFAOYSA-N	-1	0	351.428	2.254	20	10		FECDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1	ZINC000831082602	679919734	/nfs/dbraw/zinc/91/97/34/679919734.db2.gz	JSXGUPFZNQSDJP-SCZZXKLOSA-N	-1	0	357.204	2.207	20	10		FECDRM
Cn1c(=O)n2c(c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CCCC2	ZINC000832060085	680083875	/nfs/dbraw/zinc/08/38/75/680083875.db2.gz	YFYRIBXGGUBERC-UHFFFAOYSA-N	-1	0	370.236	2.466	20	10		FECDRM
CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)[O-]	ZINC000841804400	680913531	/nfs/dbraw/zinc/91/35/31/680913531.db2.gz	DGUUHYHCFANQMF-JTQLQIEISA-N	-1	0	362.785	2.252	20	10		FECDRM
O=C(N1CCCC1)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000768225178	680941311	/nfs/dbraw/zinc/94/13/11/680941311.db2.gz	CWZJKGPSRMFKEJ-UHFFFAOYSA-N	-1	0	368.821	2.287	20	10		FECDRM
CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000769465786	680983900	/nfs/dbraw/zinc/98/39/00/680983900.db2.gz	CRQDVJOIFPGWMW-CYBMUJFWSA-N	-1	0	372.805	2.496	20	10		FECDRM
Cc1cc(C(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccc(Br)cn1	ZINC000843325400	680998425	/nfs/dbraw/zinc/99/84/25/680998425.db2.gz	KIUSLYYCPVMSNT-SECBINFHSA-N	-1	0	366.215	2.455	20	10		FECDRM
C[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccc(N(C)C)cc1	ZINC000844884496	681089892	/nfs/dbraw/zinc/08/98/92/681089892.db2.gz	BIOJWGDGHNZFJA-CYBMUJFWSA-N	-1	0	362.451	2.419	20	10		FECDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1	ZINC000773083783	681124988	/nfs/dbraw/zinc/12/49/88/681124988.db2.gz	ICPQRWYLLQMKMO-JTQLQIEISA-N	-1	0	369.468	2.035	20	10		FECDRM
COCCOCCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000846116003	681184713	/nfs/dbraw/zinc/18/47/13/681184713.db2.gz	DBCRVCPSNLKQHG-UHFFFAOYSA-N	-1	0	363.285	2.480	20	10		FECDRM
COCCOc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775289157	681292908	/nfs/dbraw/zinc/29/29/08/681292908.db2.gz	SSMWTYHEMSBKBW-UHFFFAOYSA-N	-1	0	368.367	2.126	20	10		FECDRM
CN1CCCc2ccc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc21	ZINC000776434328	681391590	/nfs/dbraw/zinc/39/15/90/681391590.db2.gz	CIBYVVNAESQLDZ-UHFFFAOYSA-N	-1	0	362.407	2.274	20	10		FECDRM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc3nonc32)c(Cl)c1	ZINC000776536584	681401031	/nfs/dbraw/zinc/40/10/31/681401031.db2.gz	JWSNUNAAAXLMKP-UHFFFAOYSA-N	-1	0	353.743	2.375	20	10		FECDRM
O=C([O-])CCCN1C(=O)/C(=C/c2ccnn2CC2CC2)SC1=S	ZINC000849176604	681663722	/nfs/dbraw/zinc/66/37/22/681663722.db2.gz	RFUKZOMXHCKKBR-WQLSENKSSA-N	-1	0	351.453	2.359	20	10		FECDRM
C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C(=O)[O-]	ZINC000849366166	681695729	/nfs/dbraw/zinc/69/57/29/681695729.db2.gz	OACZDFQVMBSXQL-SMDDNHRTSA-N	-1	0	359.451	2.499	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2nc(C)cs2)cc1	ZINC000853003590	682362923	/nfs/dbraw/zinc/36/29/23/682362923.db2.gz	AFBJXWHOBRUKKR-LBPRGKRZSA-N	-1	0	363.439	2.229	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC(C)(C)C(F)(F)F)cc1	ZINC000853007802	682363313	/nfs/dbraw/zinc/36/33/13/682363313.db2.gz	FEPDIFAOFDMBNA-UHFFFAOYSA-N	-1	0	362.348	2.291	20	10		FECDRM
CCOC(=O)[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)=O	ZINC000854473807	682555516	/nfs/dbraw/zinc/55/55/16/682555516.db2.gz	FHJCRYRDQRCJOJ-LLVKDONJSA-N	-1	0	362.209	2.474	20	10		FECDRM
Cc1ccc(NC(=O)c2c([O-])c(O)ccc2F)cc1NS(C)(=O)=O	ZINC000789964582	682641308	/nfs/dbraw/zinc/64/13/08/682641308.db2.gz	XTXQXPMUXMBMIG-UHFFFAOYSA-N	-1	0	354.359	2.169	20	10		FECDRM
COC(=O)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C(=O)OC)C1	ZINC000792174360	682794239	/nfs/dbraw/zinc/79/42/39/682794239.db2.gz	UDCPGLKQZBPKDP-CABZTGNLSA-N	-1	0	359.781	2.111	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(F)(F)C[C@@H]2C)cc1	ZINC000872989145	685044180	/nfs/dbraw/zinc/04/41/80/685044180.db2.gz	MDXGBIRXNCHMDE-LBPRGKRZSA-N	-1	0	356.369	2.232	20	10		FECDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1cnc([C@@H]2CCCO2)s1	ZINC000911491905	685216741	/nfs/dbraw/zinc/21/67/41/685216741.db2.gz	VTXXHSDVZWDOMC-ZDUSSCGKSA-N	-1	0	362.407	2.427	20	10		FECDRM
C[C@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000881480478	687137400	/nfs/dbraw/zinc/13/74/00/687137400.db2.gz	VGWRNKVGGSTIAB-JTQLQIEISA-N	-1	0	352.437	2.489	20	10		FECDRM
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894537066	689549747	/nfs/dbraw/zinc/54/97/47/689549747.db2.gz	HETIKMXAJJKNLW-DYLAAIIWSA-N	-1	0	357.223	2.380	20	10		FECDRM
C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000895323668	689695766	/nfs/dbraw/zinc/69/57/66/689695766.db2.gz	FVMOOVCBGQKJPL-GXFFZTMASA-N	-1	0	350.640	2.126	20	10		FECDRM
C[C@@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000780478060	939126740	/nfs/dbraw/zinc/12/67/40/939126740.db2.gz	KRUAJFFAICYMMY-YJYMSZOUSA-N	-1	0	361.442	2.137	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C(=O)[O-])C3CC3)cc2F)C[C@@H](C)O1	ZINC000852952709	939241335	/nfs/dbraw/zinc/24/13/35/939241335.db2.gz	PJPRYHBSUZTWGV-PSTGCABASA-N	-1	0	364.417	2.166	20	10		FECDRM
C[C@@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)O1	ZINC000805134466	674321926	/nfs/dbraw/zinc/32/19/26/674321926.db2.gz	AFARBGBEHADSAK-RKDXNWHRSA-N	-1	0	369.270	2.143	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1[O-]	ZINC000157022833	545690620	/nfs/dbraw/zinc/69/06/20/545690620.db2.gz	GTEIVHDXZPEAOL-GFCCVEGCSA-N	-1	0	360.819	2.105	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)cc1	ZINC000181775769	547377854	/nfs/dbraw/zinc/37/78/54/547377854.db2.gz	CUPZYWGNTWFXHR-UHFFFAOYSA-N	-1	0	357.366	2.271	20	10		FECDRM
C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273520612	550501619	/nfs/dbraw/zinc/50/16/19/550501619.db2.gz	UFUSCOABWACORD-LBPRGKRZSA-N	-1	0	356.382	2.410	20	10		FECDRM
C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000285780428	551809602	/nfs/dbraw/zinc/80/96/02/551809602.db2.gz	UPZIIMCMIQMTKO-YGRLFVJLSA-N	-1	0	363.336	2.214	20	10		FECDRM
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1(=O)=O	ZINC000289692467	552362827	/nfs/dbraw/zinc/36/28/27/552362827.db2.gz	FOQYUYGQDWVTQX-JOYOIKCWSA-N	-1	0	362.835	2.351	20	10		FECDRM
COC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C(=O)OC)C1	ZINC000293662609	552844888	/nfs/dbraw/zinc/84/48/88/552844888.db2.gz	PRHINPVUCFUPQZ-ZANVPECISA-N	-1	0	359.781	2.111	20	10		FECDRM
Cn1cc(-c2cccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c2)cn1	ZINC000367110054	556001515	/nfs/dbraw/zinc/00/15/15/556001515.db2.gz	LIMVNNCSVIJVAP-MLPAPPSSSA-N	-1	0	359.432	2.373	20	10		FECDRM
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000370367596	556852559	/nfs/dbraw/zinc/85/25/59/556852559.db2.gz	PZMUODDWSJMXEF-AAEUAGOBSA-N	-1	0	358.778	2.106	20	10		FECDRM
Cc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000376775979	558220221	/nfs/dbraw/zinc/22/02/21/558220221.db2.gz	GBYOUFRZQYQASP-NSHDSACASA-N	-1	0	370.240	2.413	20	10		FECDRM
Cn1nnnc1SCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835477	674430972	/nfs/dbraw/zinc/43/09/72/674430972.db2.gz	GGSJGIBSVGNVIF-UHFFFAOYSA-N	-1	0	362.242	2.021	20	10		FECDRM
CN(CCCC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000737426225	599735556	/nfs/dbraw/zinc/73/55/56/599735556.db2.gz	AEVVLBATHPEGOR-UHFFFAOYSA-N	-1	0	351.472	2.246	20	10		FECDRM
COC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)cc(C(=O)[O-])c1	ZINC000737661776	599780691	/nfs/dbraw/zinc/78/06/91/599780691.db2.gz	KRWKLICCDBIIFF-UHFFFAOYSA-N	-1	0	374.349	2.207	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(F)c1	ZINC000738203231	599973167	/nfs/dbraw/zinc/97/31/67/599973167.db2.gz	JVPNREUTILIPDC-GOSISDBHSA-N	-1	0	360.385	2.201	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCn3c(nnc3C3CC3)C2)c([N+](=O)[O-])c1	ZINC000739625610	600000302	/nfs/dbraw/zinc/00/03/02/600000302.db2.gz	QLSNVKKLVLMBCE-QHHAFSJGSA-N	-1	0	355.354	2.182	20	10		FECDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000739538098	600119681	/nfs/dbraw/zinc/11/96/81/600119681.db2.gz	FBEGNZIBHLRKHM-KGLIPLIRSA-N	-1	0	354.353	2.094	20	10		FECDRM
Cc1c(C(=O)[O-])sc2[nH]c(CN(C)Cc3ccccc3O)nc(=O)c12	ZINC000738290010	600143143	/nfs/dbraw/zinc/14/31/43/600143143.db2.gz	HVBURGIOKNBJCD-UHFFFAOYSA-N	-1	0	359.407	2.329	20	10		FECDRM
CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1	ZINC000737551664	600192364	/nfs/dbraw/zinc/19/23/64/600192364.db2.gz	JYWNFAJWPRSEIR-FPLPWBNLSA-N	-1	0	365.389	2.132	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCc2cccc(OCC(=O)[O-])c2)cc1	ZINC000737375666	600640854	/nfs/dbraw/zinc/64/08/54/600640854.db2.gz	LMBVQDVAHWDXTA-UHFFFAOYSA-N	-1	0	357.410	2.215	20	10		FECDRM
COCCOC[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831763755	600824682	/nfs/dbraw/zinc/82/46/82/600824682.db2.gz	VSHNFZVGANYJND-LYKUJDHUSA-N	-1	0	350.371	2.182	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000830643887	601045968	/nfs/dbraw/zinc/04/59/68/601045968.db2.gz	PTOOTEUTBQLQOR-UHFFFAOYSA-N	-1	0	355.394	2.288	20	10		FECDRM
CO[C@@H](C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1	ZINC000831505165	601354509	/nfs/dbraw/zinc/35/45/09/601354509.db2.gz	HVMZPRAQXVROIO-VIFPVBQESA-N	-1	0	355.778	2.223	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)cc1F	ZINC000820841306	601519223	/nfs/dbraw/zinc/51/92/23/601519223.db2.gz	OANKMBFXRJMMOP-UHFFFAOYSA-N	-1	0	358.369	2.495	20	10		FECDRM
C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000827645336	602064240	/nfs/dbraw/zinc/06/42/40/602064240.db2.gz	JKNOBIFEMPXKQI-KUHUBIRLSA-N	-1	0	361.442	2.090	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cc1F	ZINC000739616351	602148786	/nfs/dbraw/zinc/14/87/86/602148786.db2.gz	ARCIPODKUGJMOM-CYBMUJFWSA-N	-1	0	352.410	2.081	20	10		FECDRM
O=C([O-])NCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000738657492	602254832	/nfs/dbraw/zinc/25/48/32/602254832.db2.gz	OMPFFLHTCCSBPC-UHFFFAOYSA-N	-1	0	357.357	2.031	20	10		FECDRM
O=C([O-])NC[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740644449	602268563	/nfs/dbraw/zinc/26/85/63/602268563.db2.gz	UCKRYSJCTTUVHU-CYBMUJFWSA-N	-1	0	370.405	2.418	20	10		FECDRM
NC(=O)COc1ccc(CN2CCCc3cc(CNC(=O)[O-])ccc32)cc1	ZINC000740330315	602648952	/nfs/dbraw/zinc/64/89/52/602648952.db2.gz	BWSOUSUPSAIZJY-UHFFFAOYSA-N	-1	0	369.421	2.271	20	10		FECDRM
Cc1n[nH]c(C)c1NC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000740205659	602653558	/nfs/dbraw/zinc/65/35/58/602653558.db2.gz	WXOYWRBMZCBRPR-UHFFFAOYSA-N	-1	0	357.414	2.185	20	10		FECDRM
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000809688224	674504973	/nfs/dbraw/zinc/50/49/73/674504973.db2.gz	FDIYWVKLEDLNSV-GFCCVEGCSA-N	-1	0	350.843	2.041	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2COc3ccccc32)NC(=O)[O-])cc1	ZINC000828054978	603025218	/nfs/dbraw/zinc/02/52/18/603025218.db2.gz	ATTPBHFATBPVOI-IRXDYDNUSA-N	-1	0	369.421	2.354	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC2(Cl)Cl)NC(=O)[O-])cc1	ZINC000828056412	603026925	/nfs/dbraw/zinc/02/69/25/603026925.db2.gz	PVDYAHAFYFZXRL-VXGBXAGGSA-N	-1	0	360.241	2.371	20	10		FECDRM
Cc1ccc(C(=O)C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1	ZINC000830175622	603031368	/nfs/dbraw/zinc/03/13/68/603031368.db2.gz	CIEPOAWKQGLFEZ-KRWDZBQOSA-N	-1	0	369.421	2.369	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc[nH]c2=S)NC(=O)[O-])cc1	ZINC000828064808	603031749	/nfs/dbraw/zinc/03/17/49/603031749.db2.gz	YZTDPQUHCAFKBV-CQSZACIVSA-N	-1	0	360.439	2.175	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000739925534	603127947	/nfs/dbraw/zinc/12/79/47/603127947.db2.gz	OZLZBYNHNVQCBO-IMSIIYSGSA-N	-1	0	352.387	2.081	20	10		FECDRM
C[C@H](NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825077450	603897340	/nfs/dbraw/zinc/89/73/40/603897340.db2.gz	ZEIQDXZGLYEMOI-LIRRHRJNSA-N	-1	0	361.442	2.090	20	10		FECDRM
O=C([O-])N1CCC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831709385	604094176	/nfs/dbraw/zinc/09/41/76/604094176.db2.gz	RRVFAHLQUWCRDB-CYBMUJFWSA-N	-1	0	361.442	2.460	20	10		FECDRM
O=C([O-])NC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	ZINC000832155675	604475969	/nfs/dbraw/zinc/47/59/69/604475969.db2.gz	MEWDPNUTZFZPSH-NSHDSACASA-N	-1	0	369.368	2.173	20	10		FECDRM
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCc1ccc(N2CCCCC2)cc1	ZINC000831387498	604781280	/nfs/dbraw/zinc/78/12/80/604781280.db2.gz	LDXFGNPDJRATEC-QGZVFWFLSA-N	-1	0	361.442	2.062	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1	ZINC000833733875	605036470	/nfs/dbraw/zinc/03/64/70/605036470.db2.gz	UNPIICHTLCWIMS-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833536909	605282271	/nfs/dbraw/zinc/28/22/71/605282271.db2.gz	UYTDKGHWMVCDSG-FZMZJTMJSA-N	-1	0	371.817	2.043	20	10		FECDRM
CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(OCC(=O)[O-])cc1	ZINC000833692170	605438837	/nfs/dbraw/zinc/43/88/37/605438837.db2.gz	NGATVMLRQSGQCP-UHFFFAOYSA-N	-1	0	374.441	2.256	20	10		FECDRM
COc1ccc(O)c(CNC(=O)[C@@H]2c3ccccc3CCN2C(=O)[O-])c1	ZINC000829483220	605878783	/nfs/dbraw/zinc/87/87/83/605878783.db2.gz	FNIVOSPNAZXFFA-KRWDZBQOSA-N	-1	0	356.378	2.294	20	10		FECDRM
O=C([O-])N1CCCN(S(=O)(=O)c2cccc3nonc32)c2ccccc21	ZINC000834110671	605953107	/nfs/dbraw/zinc/95/31/07/605953107.db2.gz	SMCFGWICLIFWGE-UHFFFAOYSA-N	-1	0	374.378	2.306	20	10		FECDRM
O=C([O-])Nc1cnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	ZINC000834273747	606059994	/nfs/dbraw/zinc/05/99/94/606059994.db2.gz	AWXSEWZJBGOHGL-ZDUSSCGKSA-N	-1	0	372.381	2.094	20	10		FECDRM
O=C([O-])Nc1cnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1	ZINC000834273745	606060280	/nfs/dbraw/zinc/06/02/80/606060280.db2.gz	AWXSEWZJBGOHGL-CYBMUJFWSA-N	-1	0	372.381	2.094	20	10		FECDRM
COCC1(S(=O)(=O)[N-]C(=O)c2sccc2-n2c(C)ccc2C)CC1	ZINC000811153209	674583180	/nfs/dbraw/zinc/58/31/80/674583180.db2.gz	HYVIYOHPDXIVJO-UHFFFAOYSA-N	-1	0	368.480	2.394	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	ZINC000327495825	673060554	/nfs/dbraw/zinc/06/05/54/673060554.db2.gz	PFIYCUNSSLPVBQ-DUXPYHPUSA-N	-1	0	359.304	2.377	20	10		FECDRM
O=C1NC[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CCN12	ZINC000708210997	673065333	/nfs/dbraw/zinc/06/53/33/673065333.db2.gz	JPHHCTLQGLVWIR-JTQLQIEISA-N	-1	0	360.639	2.018	20	10		FECDRM
CCN(CCS(C)(=O)=O)Cc1cc(Br)cc(F)c1[O-]	ZINC000715818170	673073729	/nfs/dbraw/zinc/07/37/29/673073729.db2.gz	MRNLDMOWVJVLPS-UHFFFAOYSA-N	-1	0	354.241	2.160	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1	ZINC000733718805	673435084	/nfs/dbraw/zinc/43/50/84/673435084.db2.gz	CUAUUVFEMBIKEC-INIZCTEOSA-N	-1	0	362.451	2.251	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cc1F	ZINC000743046398	673747697	/nfs/dbraw/zinc/74/76/97/673747697.db2.gz	FTNTYOXJRAJCIE-UHFFFAOYSA-N	-1	0	368.415	2.492	20	10		FECDRM
Cc1nc([C@H]2COCCN2Cc2ccc(Br)cc2O)no1	ZINC000825462025	675654194	/nfs/dbraw/zinc/65/41/94/675654194.db2.gz	XCOOMQYXYDGXLH-GFCCVEGCSA-N	-1	0	354.204	2.420	20	10		FECDRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1C	ZINC000766047089	680864271	/nfs/dbraw/zinc/86/42/71/680864271.db2.gz	FVRXBUSREMKGAG-UHFFFAOYSA-N	-1	0	363.391	2.491	20	10		FECDRM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2C)s1	ZINC000749013106	680015671	/nfs/dbraw/zinc/01/56/71/680015671.db2.gz	YMELTHBYLKJJKJ-UHFFFAOYSA-N	-1	0	357.409	2.358	20	10		FECDRM
CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1	ZINC000749155607	680024158	/nfs/dbraw/zinc/02/41/58/680024158.db2.gz	XBVNYYGOFZQRCO-UHFFFAOYSA-N	-1	0	373.431	2.173	20	10		FECDRM
CSCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000751060350	680151220	/nfs/dbraw/zinc/15/12/20/680151220.db2.gz	KIOBPDXPGAWUNQ-UHFFFAOYSA-N	-1	0	372.493	2.347	20	10		FECDRM
C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H](C)S(C)(=O)=O	ZINC000841436307	680881643	/nfs/dbraw/zinc/88/16/43/680881643.db2.gz	OTICAIDWOWCYRP-SFYZADRCSA-N	-1	0	354.255	2.384	20	10		FECDRM
C[S@@](=O)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000769479838	680984315	/nfs/dbraw/zinc/98/43/15/680984315.db2.gz	JBLSZXVQPVSTCF-OAQYLSRUSA-N	-1	0	351.299	2.195	20	10		FECDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000912557488	685396941	/nfs/dbraw/zinc/39/69/41/685396941.db2.gz	BKAUURQSQRHFBT-UHFFFAOYSA-N	-1	0	364.408	2.121	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cccc3c2OCCCO3)ccc1O	ZINC000844661157	681072574	/nfs/dbraw/zinc/07/25/74/681072574.db2.gz	DYDNENCVWAPQCB-UHFFFAOYSA-N	-1	0	351.380	2.363	20	10		FECDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1	ZINC000773083786	681124910	/nfs/dbraw/zinc/12/49/10/681124910.db2.gz	ICPQRWYLLQMKMO-SNVBAGLBSA-N	-1	0	369.468	2.035	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000775287286	681292310	/nfs/dbraw/zinc/29/23/10/681292310.db2.gz	YBNFFGMLRBNBMV-UHFFFAOYSA-N	-1	0	363.391	2.305	20	10		FECDRM
NC(=O)c1ccc(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)nc1	ZINC000775649709	681321320	/nfs/dbraw/zinc/32/13/20/681321320.db2.gz	NDWUOFOABYTMJM-UHFFFAOYSA-N	-1	0	364.808	2.001	20	10		FECDRM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)s1	ZINC000776747842	681432511	/nfs/dbraw/zinc/43/25/11/681432511.db2.gz	NYNBUUBIGPPPCP-UHFFFAOYSA-N	-1	0	357.409	2.358	20	10		FECDRM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)cc1	ZINC000779459895	681718172	/nfs/dbraw/zinc/71/81/72/681718172.db2.gz	IJRCAHBEIZFMDZ-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
COC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000782918219	682094515	/nfs/dbraw/zinc/09/45/15/682094515.db2.gz	BRQGIWGIRJTHNC-UHFFFAOYSA-N	-1	0	366.330	2.341	20	10		FECDRM
CCC(=O)COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785414814	682295799	/nfs/dbraw/zinc/29/57/99/682295799.db2.gz	ZXQKXIKRZXIQHF-UHFFFAOYSA-N	-1	0	369.420	2.390	20	10		FECDRM
COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797819587	683275652	/nfs/dbraw/zinc/27/56/52/683275652.db2.gz	NRLOXOIJCSERGX-UHFFFAOYSA-N	-1	0	351.380	2.297	20	10		FECDRM
C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccc(N(C)C)cc1	ZINC000860951124	683320867	/nfs/dbraw/zinc/32/08/67/683320867.db2.gz	YYPCCYRRPKLASG-LBPRGKRZSA-N	-1	0	362.455	2.010	20	10		FECDRM
O=c1[nH]ccn1-c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000799122607	683424640	/nfs/dbraw/zinc/42/46/40/683424640.db2.gz	TYKKEOAOMZMHGB-UHFFFAOYSA-N	-1	0	373.419	2.383	20	10		FECDRM
O=[N+]([O-])c1ccc([O-])c(CNc2ccc(S(=O)(=O)NC3CC3)cc2)c1	ZINC000863987466	683797388	/nfs/dbraw/zinc/79/73/88/683797388.db2.gz	ZOXLAZKXIOSPRD-UHFFFAOYSA-N	-1	0	363.395	2.353	20	10		FECDRM
COCc1nnc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])[n-]1	ZINC000883166807	687580521	/nfs/dbraw/zinc/58/05/21/687580521.db2.gz	JFMNKQWYIIJWLH-UHFFFAOYSA-N	-1	0	361.627	2.362	20	10		FECDRM
O=C1N[C@H](c2cc(Cl)cc(Br)c2[O-])N2CCSC[C@H]12	ZINC000887329337	688406905	/nfs/dbraw/zinc/40/69/05/688406905.db2.gz	FFUDTRWINGVOSL-KOLCDFICSA-N	-1	0	363.664	2.354	20	10		FECDRM
COC(=O)[C@H]1COCCN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000894021288	689451097	/nfs/dbraw/zinc/45/10/97/689451097.db2.gz	UJCKDZKCDZQWOH-LLVKDONJSA-N	-1	0	364.623	2.182	20	10		FECDRM
O=C1OC[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CCN12	ZINC000894056305	689458003	/nfs/dbraw/zinc/45/80/03/689458003.db2.gz	ZMIBWJVZMMLCBD-SNVBAGLBSA-N	-1	0	361.623	2.445	20	10		FECDRM
COC(=O)[C@]1(F)CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894085813	689463638	/nfs/dbraw/zinc/46/36/38/689463638.db2.gz	QPDKTMLZTMLAQP-ZDUSSCGKSA-N	-1	0	350.159	2.381	20	10		FECDRM
COC(=O)[C@@]1(F)CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894085811	689463694	/nfs/dbraw/zinc/46/36/94/689463694.db2.gz	QPDKTMLZTMLAQP-CYBMUJFWSA-N	-1	0	350.159	2.381	20	10		FECDRM
O=C1N=NCN1C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000894611210	689565384	/nfs/dbraw/zinc/56/53/84/689565384.db2.gz	LAPLYLKIZVOYTK-UHFFFAOYSA-N	-1	0	371.210	2.428	20	10		FECDRM
Cn1nccc1[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000897558257	690039246	/nfs/dbraw/zinc/03/92/46/690039246.db2.gz	HBFBJJBVSOSRSL-AWEZNQCLSA-N	-1	0	352.232	2.462	20	10		FECDRM
Nc1nc(C2CC2)nc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n1	ZINC000897573074	690042353	/nfs/dbraw/zinc/04/23/53/690042353.db2.gz	CUIXLDFQKDVZES-UHFFFAOYSA-N	-1	0	360.849	2.012	20	10		FECDRM
COC(=O)[C@](C)(Cn1cccn1)NCc1cccc(Br)c1[O-]	ZINC000898340761	690161725	/nfs/dbraw/zinc/16/17/25/690161725.db2.gz	UAYKWHKAJCCWSZ-HNNXBMFYSA-N	-1	0	368.231	2.073	20	10		FECDRM
Cc1oc(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1C(=O)[O-]	ZINC000184885717	547893298	/nfs/dbraw/zinc/89/32/98/547893298.db2.gz	PITVERFKOGYQRR-UHFFFAOYSA-N	-1	0	352.412	2.139	20	10		FECDRM
CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC000276508244	550578873	/nfs/dbraw/zinc/57/88/73/550578873.db2.gz	AUJPFFKGEKHSAS-VIFPVBQESA-N	-1	0	366.418	2.157	20	10		FECDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000277431880	550669529	/nfs/dbraw/zinc/66/95/29/550669529.db2.gz	VTPWGCRQHVHTSV-UHFFFAOYSA-N	-1	0	358.360	2.344	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000408404856	558673959	/nfs/dbraw/zinc/67/39/59/558673959.db2.gz	BCUZXOPDVNJMHG-CYBMUJFWSA-N	-1	0	368.480	2.394	20	10		FECDRM
O=C(CCCN1C(=O)CCC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838591	674431236	/nfs/dbraw/zinc/43/12/36/674431236.db2.gz	YMBMEYWSLWLWQD-UHFFFAOYSA-N	-1	0	359.209	2.244	20	10		FECDRM
O=C([O-])C1=S=C(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)C=C1	ZINC000740114910	599993254	/nfs/dbraw/zinc/99/32/54/599993254.db2.gz	OJTIPUUMGNEDGJ-UHFFFAOYSA-N	-1	0	365.317	2.345	20	10		FECDRM
O=C([O-])CN(CC(=O)NC1CCCCC1)Cc1cc(Cl)ccc1O	ZINC000739783657	600144917	/nfs/dbraw/zinc/14/49/17/600144917.db2.gz	HJTPAAAHAFLVTK-UHFFFAOYSA-N	-1	0	354.834	2.381	20	10		FECDRM
CN(CC(=O)NCc1ccccc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737393174	600365422	/nfs/dbraw/zinc/36/54/22/600365422.db2.gz	IRHYTBJBKXAYME-CSKARUKUSA-N	-1	0	369.377	2.445	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CCC(C(=O)[O-])CC3)CC2)cc1	ZINC000738024616	600564319	/nfs/dbraw/zinc/56/43/19/600564319.db2.gz	YYAWLBGXVZBEDR-UHFFFAOYSA-N	-1	0	361.442	2.170	20	10		FECDRM
COC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)ccc1C(=O)[O-]	ZINC000831306664	600658496	/nfs/dbraw/zinc/65/84/96/600658496.db2.gz	ZHSAFOABJYGFJM-UHFFFAOYSA-N	-1	0	374.349	2.207	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000830644297	600988352	/nfs/dbraw/zinc/98/83/52/600988352.db2.gz	VJVGZZZKMMQLGB-UHFFFAOYSA-N	-1	0	368.436	2.100	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833195659	601435569	/nfs/dbraw/zinc/43/55/69/601435569.db2.gz	HWSUZFHJSKZCFG-TXTHVTMNSA-N	-1	0	362.382	2.467	20	10		FECDRM
CC(C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000826584646	601667315	/nfs/dbraw/zinc/66/73/15/601667315.db2.gz	DUFSHACNKACDSO-UHFFFAOYSA-N	-1	0	351.472	2.150	20	10		FECDRM
O=C([O-])N[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	ZINC000740692206	601897852	/nfs/dbraw/zinc/89/78/52/601897852.db2.gz	GNWDHBDZNXGYHM-SFHVURJKSA-N	-1	0	369.421	2.148	20	10		FECDRM
CC(C)N(CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000738961475	601913630	/nfs/dbraw/zinc/91/36/30/601913630.db2.gz	RANRAXPJRJRRTR-HNNXBMFYSA-N	-1	0	363.458	2.479	20	10		FECDRM
CN(C(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21)c1nccs1	ZINC000739573042	602649064	/nfs/dbraw/zinc/64/90/64/602649064.db2.gz	VHFDSWWSCDLPPQ-UHFFFAOYSA-N	-1	0	360.439	2.326	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)c1	ZINC000739926122	602979207	/nfs/dbraw/zinc/97/92/07/602979207.db2.gz	ZKHFCQUFGZHMJB-VXGBXAGGSA-N	-1	0	351.403	2.294	20	10		FECDRM
CCN(CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-]	ZINC000739394578	603382061	/nfs/dbraw/zinc/38/20/61/603382061.db2.gz	MQWIQIQMVKEUPD-BETUJISGSA-N	-1	0	367.421	2.055	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000738042378	603410742	/nfs/dbraw/zinc/41/07/42/603410742.db2.gz	SUGGWGHRNRPQCA-JTQLQIEISA-N	-1	0	373.365	2.307	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)c1	ZINC000829484608	603661886	/nfs/dbraw/zinc/66/18/86/603661886.db2.gz	VGSKUAPJGMVMPL-NWDGAFQWSA-N	-1	0	353.419	2.443	20	10		FECDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000824825317	604220731	/nfs/dbraw/zinc/22/07/31/604220731.db2.gz	REGDFIPVWVBCNS-HIFRSBDPSA-N	-1	0	350.415	2.146	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccsc2C(=O)[O-])c1	ZINC000833733712	605033754	/nfs/dbraw/zinc/03/37/54/605033754.db2.gz	MZHWJMSSLWMVQK-MRVPVSSYSA-N	-1	0	357.409	2.200	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](NC(=O)[O-])C3)ccc21	ZINC000739837657	605068266	/nfs/dbraw/zinc/06/82/66/605068266.db2.gz	OJKUPDFFXXXIEQ-HNNXBMFYSA-N	-1	0	359.426	2.387	20	10		FECDRM
CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000392757835	605222615	/nfs/dbraw/zinc/22/26/15/605222615.db2.gz	WPSDHQKOSQWMAO-UHFFFAOYSA-N	-1	0	352.406	2.170	20	10		FECDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000825825388	605384482	/nfs/dbraw/zinc/38/44/82/605384482.db2.gz	ZSBQPMKJHOTWBG-YPMHNXCESA-N	-1	0	352.410	2.222	20	10		FECDRM
O=C([O-])N(CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1	ZINC000834002159	605975141	/nfs/dbraw/zinc/97/51/41/605975141.db2.gz	ZGCNWCLMXDSCTM-UHFFFAOYSA-N	-1	0	351.366	2.477	20	10		FECDRM
COC(=O)C1(CS(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)CCCC1	ZINC000811696170	674620920	/nfs/dbraw/zinc/62/09/20/674620920.db2.gz	KJCPCBPRHFRZNE-UHFFFAOYSA-N	-1	0	355.412	2.070	20	10		FECDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)cn1	ZINC000811822811	674631395	/nfs/dbraw/zinc/63/13/95/674631395.db2.gz	HXHCJYUDMVIJAI-UHFFFAOYSA-N	-1	0	361.452	2.467	20	10		FECDRM
Cn1nccc1S(=O)(=O)[N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000727241828	673162869	/nfs/dbraw/zinc/16/28/69/673162869.db2.gz	IDHNAFYEDDWLIQ-UHFFFAOYSA-N	-1	0	365.396	2.253	20	10		FECDRM
O=S(=O)(Nc1ccccc1Cn1cncn1)c1cc(F)cc(F)c1[O-]	ZINC000821163644	675419355	/nfs/dbraw/zinc/41/93/55/675419355.db2.gz	YVJGANKLFMKTCS-UHFFFAOYSA-N	-1	0	366.349	2.111	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1[O-]	ZINC000825202882	675641374	/nfs/dbraw/zinc/64/13/74/675641374.db2.gz	WKNKBZWRDCSZRN-AAEUAGOBSA-N	-1	0	360.819	2.105	20	10		FECDRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765035282	680828240	/nfs/dbraw/zinc/82/82/40/680828240.db2.gz	OIHUMWXQQMICGJ-UHFFFAOYSA-N	-1	0	360.395	2.163	20	10		FECDRM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2)n[nH]1	ZINC000765066878	680829639	/nfs/dbraw/zinc/82/96/39/680829639.db2.gz	GWSNKXMRDIAFGN-UHFFFAOYSA-N	-1	0	356.367	2.117	20	10		FECDRM
CCOc1ccncc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000840911546	680852202	/nfs/dbraw/zinc/85/22/02/680852202.db2.gz	GVLOANIWOGJTNS-UHFFFAOYSA-N	-1	0	363.439	2.118	20	10		FECDRM
CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3COC)cc12	ZINC000840916740	680852897	/nfs/dbraw/zinc/85/28/97/680852897.db2.gz	CANSCEJPAABEME-UHFFFAOYSA-N	-1	0	363.395	2.438	20	10		FECDRM
C[C@H]1Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])cc2NC1=O	ZINC000753022697	680271139	/nfs/dbraw/zinc/27/11/39/680271139.db2.gz	ZVFCGBMHTPYBJD-SSDOTTSWSA-N	-1	0	370.333	2.191	20	10		FECDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000757655771	680530315	/nfs/dbraw/zinc/53/03/15/680530315.db2.gz	LOVLBJNJDFYPLD-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1[N+](=O)[O-]	ZINC000758773903	680606862	/nfs/dbraw/zinc/60/68/62/680606862.db2.gz	JLIXFQPBRKVTPY-UHFFFAOYSA-N	-1	0	366.351	2.312	20	10		FECDRM
O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000759114901	680628311	/nfs/dbraw/zinc/62/83/11/680628311.db2.gz	XILBOBOODMEWNJ-UHFFFAOYSA-N	-1	0	361.379	2.431	20	10		FECDRM
CCO[N-]C(=O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	ZINC000846498776	681249381	/nfs/dbraw/zinc/24/93/81/681249381.db2.gz	XOGOHMXJTIBQMX-UHFFFAOYSA-N	-1	0	363.845	2.474	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C	ZINC000775286962	681292399	/nfs/dbraw/zinc/29/23/99/681292399.db2.gz	SDXXMIDRAFZAEX-UHFFFAOYSA-N	-1	0	369.370	2.436	20	10		FECDRM
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1[O-]	ZINC000775287970	681293165	/nfs/dbraw/zinc/29/31/65/681293165.db2.gz	GUCJBHJVZCMLHN-UHFFFAOYSA-N	-1	0	366.351	2.263	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)cc1F	ZINC000780489660	681832886	/nfs/dbraw/zinc/83/28/86/681832886.db2.gz	BGDAWROEYTYKFW-UHFFFAOYSA-N	-1	0	351.300	2.050	20	10		FECDRM
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C(=O)OC)C1	ZINC000780783587	681870827	/nfs/dbraw/zinc/87/08/27/681870827.db2.gz	HPLZJPYODYFCJU-ZANVPECISA-N	-1	0	359.781	2.111	20	10		FECDRM
CCOCCOC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785407993	682295452	/nfs/dbraw/zinc/29/54/52/682295452.db2.gz	OBDMBIAPMWWVAR-UHFFFAOYSA-N	-1	0	371.436	2.448	20	10		FECDRM
Cc1cc(NC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n(C)n1	ZINC000788321317	682520764	/nfs/dbraw/zinc/52/07/64/682520764.db2.gz	RPIILMDCGQGOML-UHFFFAOYSA-N	-1	0	352.778	2.206	20	10		FECDRM
CCOC(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1	ZINC000789580121	682619529	/nfs/dbraw/zinc/61/95/29/682619529.db2.gz	LHVDLSHRWFVAFN-YGRLFVJLSA-N	-1	0	372.805	2.402	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cn1	ZINC000792701965	682828756	/nfs/dbraw/zinc/82/87/56/682828756.db2.gz	JNXQRTSKHHYGGG-UHFFFAOYSA-N	-1	0	354.409	2.097	20	10		FECDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000792702413	682828929	/nfs/dbraw/zinc/82/89/29/682828929.db2.gz	SQNJRMISHIJXRF-UHFFFAOYSA-N	-1	0	373.477	2.318	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000799541482	683466443	/nfs/dbraw/zinc/46/64/43/683466443.db2.gz	UYEGSAYAVDZUFT-UHFFFAOYSA-N	-1	0	364.423	2.294	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C2CC2)C(F)(F)F)cc1	ZINC000872986678	685043902	/nfs/dbraw/zinc/04/39/02/685043902.db2.gz	YZPYPCGYKOGUCE-OAHLLOKOSA-N	-1	0	360.332	2.043	20	10		FECDRM
O=C([O-])CSCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000911095647	685162949	/nfs/dbraw/zinc/16/29/49/685162949.db2.gz	FAGFHTWDKUQZRI-CQSZACIVSA-N	-1	0	353.440	2.108	20	10		FECDRM
O=C([O-])[C@@H]1CCC[N@H+](CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000911746139	685252980	/nfs/dbraw/zinc/25/29/80/685252980.db2.gz	WBIRELKYRZWOCA-SECBINFHSA-N	-1	0	361.225	2.112	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)c(C)n1-c1ccccn1	ZINC000893243248	689320531	/nfs/dbraw/zinc/32/05/31/689320531.db2.gz	DRXGOBBGGLRGKO-UHFFFAOYSA-N	-1	0	353.831	2.278	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1	ZINC000124194958	543805705	/nfs/dbraw/zinc/80/57/05/543805705.db2.gz	NDWAVYQQCNDDRF-AWEZNQCLSA-N	-1	0	360.435	2.393	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC(=O)N(C2CC2)C1	ZINC000805187881	674324958	/nfs/dbraw/zinc/32/49/58/674324958.db2.gz	AFGAWXPGLUVODD-JTQLQIEISA-N	-1	0	358.225	2.262	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CCCS1(=O)=O	ZINC000805216180	674326252	/nfs/dbraw/zinc/32/62/52/674326252.db2.gz	HERMPCMZAUOGMG-SNVBAGLBSA-N	-1	0	367.254	2.075	20	10		FECDRM
Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3ccnn3C)n2)s1	ZINC000263859323	549947118	/nfs/dbraw/zinc/94/71/18/549947118.db2.gz	WESIMGGBVNGFCZ-UHFFFAOYSA-N	-1	0	355.470	2.418	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ccc21	ZINC000276952346	550614739	/nfs/dbraw/zinc/61/47/39/550614739.db2.gz	BXCDBIWBYBBSFO-UHFFFAOYSA-N	-1	0	357.376	2.142	20	10		FECDRM
CN(C(=O)c1c(F)ccc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000294792668	552934682	/nfs/dbraw/zinc/93/46/82/552934682.db2.gz	AYIMKQBDWQJUOZ-JTQLQIEISA-N	-1	0	354.378	2.318	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C[C@H]1OCCc2ccccc21	ZINC000366741981	555923026	/nfs/dbraw/zinc/92/30/26/555923026.db2.gz	VSYSCIRFJNAWDP-DZGCQCFKSA-N	-1	0	351.424	2.218	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@@H]1COc2ccc(Cl)cc2C1	ZINC000366764404	555927920	/nfs/dbraw/zinc/92/79/20/555927920.db2.gz	GFYJRRNZCXFLRT-JQWIXIFHSA-N	-1	0	371.842	2.419	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@H]1COc2ccc(Cl)cc2C1	ZINC000366764405	555928015	/nfs/dbraw/zinc/92/80/15/555928015.db2.gz	GFYJRRNZCXFLRT-PWSUYJOCSA-N	-1	0	371.842	2.419	20	10		FECDRM
COC(=O)c1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c[nH]1	ZINC000531471821	562447108	/nfs/dbraw/zinc/44/71/08/562447108.db2.gz	CHCRBJQTPUMKGI-WDZFZDKYSA-N	-1	0	365.345	2.154	20	10		FECDRM
O=C(NCCc1nnc2n1CCC2)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000806938589	674397211	/nfs/dbraw/zinc/39/72/11/674397211.db2.gz	PPIRAMLFXNUDMG-UHFFFAOYSA-N	-1	0	370.240	2.279	20	10		FECDRM
CCc1ncc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807512677	674418262	/nfs/dbraw/zinc/41/82/62/674418262.db2.gz	CYBCTDUJPUMNDQ-UHFFFAOYSA-N	-1	0	369.208	2.306	20	10		FECDRM
O=C([O-])c1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	ZINC000821549643	598146119	/nfs/dbraw/zinc/14/61/19/598146119.db2.gz	MTYBEKCZLYIISK-UHFFFAOYSA-N	-1	0	372.396	2.415	20	10		FECDRM
Cc1cc(C(=O)COC(=O)[C@H](O)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738319773	599791965	/nfs/dbraw/zinc/79/19/65/599791965.db2.gz	PEFMKDYDOGTRHG-GOSISDBHSA-N	-1	0	371.389	2.289	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000737477384	599829610	/nfs/dbraw/zinc/82/96/10/599829610.db2.gz	RPIKGVPHLMESPO-UHFFFAOYSA-N	-1	0	370.405	2.266	20	10		FECDRM
Cc1cc(C(=O)CN2CCC[C@@H](O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738320962	600010126	/nfs/dbraw/zinc/01/01/26/600010126.db2.gz	ULMITPJJXLMGNU-QGZVFWFLSA-N	-1	0	356.422	2.432	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)c1	ZINC000738041932	600128888	/nfs/dbraw/zinc/12/88/88/600128888.db2.gz	PKZDIIDYJRWHCA-NSHDSACASA-N	-1	0	372.377	2.223	20	10		FECDRM
O=C([O-])c1csc(S(=O)(=O)NCCCSc2nccs2)c1	ZINC000740271808	600323376	/nfs/dbraw/zinc/32/33/76/600323376.db2.gz	PSGQLUWCOHQDNO-UHFFFAOYSA-N	-1	0	364.495	2.364	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C(=O)Nc3sccc3C(=O)[O-])ccc21	ZINC000830946816	600883960	/nfs/dbraw/zinc/88/39/60/600883960.db2.gz	ZTHQTDNBULCSQB-UHFFFAOYSA-N	-1	0	373.434	2.084	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000830643179	600988097	/nfs/dbraw/zinc/98/80/97/600988097.db2.gz	FFBRDSHILZRFRO-UHFFFAOYSA-N	-1	0	368.436	2.100	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000830643123	600988323	/nfs/dbraw/zinc/98/83/23/600988323.db2.gz	DGTPXOAOMSSPRB-UHFFFAOYSA-N	-1	0	362.407	2.039	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC2)cc1F	ZINC000832384088	601519553	/nfs/dbraw/zinc/51/95/53/601519553.db2.gz	SQMCDWRTGJXWBX-KGLIPLIRSA-N	-1	0	364.417	2.374	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)cc1F	ZINC000832384087	601519600	/nfs/dbraw/zinc/51/96/00/601519600.db2.gz	SQMCDWRTGJXWBX-KBPBESRZSA-N	-1	0	364.417	2.374	20	10		FECDRM
CC(C)n1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000824520207	603030375	/nfs/dbraw/zinc/03/03/75/603030375.db2.gz	MGOAYXLXPKQOSR-MRXNPFEDSA-N	-1	0	359.430	2.269	20	10		FECDRM
COc1ccc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1	ZINC000829339645	603031361	/nfs/dbraw/zinc/03/13/61/603031361.db2.gz	AJQWVBAYOINRIF-SFHVURJKSA-N	-1	0	371.437	2.429	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC(NC(=O)[O-])CC2)c1	ZINC000739925342	603105185	/nfs/dbraw/zinc/10/51/85/603105185.db2.gz	MBEQAHLUVPBSTH-VOMCLLRMSA-N	-1	0	351.403	2.340	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cc1	ZINC000829424010	603374909	/nfs/dbraw/zinc/37/49/09/603374909.db2.gz	KWTAFSDYVPJAPK-MRXNPFEDSA-N	-1	0	361.442	2.266	20	10		FECDRM
COc1ccc(N2CCN(C(=O)C3(CNC(=O)[O-])CCCC3)CC2)cc1	ZINC000829424137	603614036	/nfs/dbraw/zinc/61/40/36/603614036.db2.gz	MMPIPYCMXDYHAE-UHFFFAOYSA-N	-1	0	361.442	2.172	20	10		FECDRM
C[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)c1cccnc1	ZINC000823687598	603853652	/nfs/dbraw/zinc/85/36/52/603853652.db2.gz	XWWXHNBENZATBK-CXAGYDPISA-N	-1	0	356.426	2.376	20	10		FECDRM
C[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCN(C(=O)[O-])C1	ZINC000825673464	603887413	/nfs/dbraw/zinc/88/74/13/603887413.db2.gz	QOEPJXBBZPXLLO-SFHVURJKSA-N	-1	0	363.483	2.246	20	10		FECDRM
CC(C)c1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)nn1C	ZINC000824458009	603949394	/nfs/dbraw/zinc/94/93/94/603949394.db2.gz	AFYVMNPVKRLMTC-INIZCTEOSA-N	-1	0	373.457	2.348	20	10		FECDRM
Cc1cc(C(=O)Cn2nnnc2CNC(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000830165046	604030146	/nfs/dbraw/zinc/03/01/46/604030146.db2.gz	JBJXZEQWZBQQMJ-UHFFFAOYSA-N	-1	0	368.397	2.040	20	10		FECDRM
CCOc1cccnc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827464807	604057268	/nfs/dbraw/zinc/05/72/68/604057268.db2.gz	CSDBTYBYTXHEPU-OAHLLOKOSA-N	-1	0	372.425	2.285	20	10		FECDRM
C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1ccc(N2CCOCC2)cc1	ZINC000825100341	604123520	/nfs/dbraw/zinc/12/35/20/604123520.db2.gz	BRAGRLAEOYBKBH-CQSZACIVSA-N	-1	0	361.442	2.281	20	10		FECDRM
C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1NC(=O)[O-]	ZINC000826000129	604337171	/nfs/dbraw/zinc/33/71/71/604337171.db2.gz	FTRJSBYTHAROBL-MNOVXSKESA-N	-1	0	358.489	2.313	20	10		FECDRM
CN(C)c1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)ccn1	ZINC000833691743	605282551	/nfs/dbraw/zinc/28/25/51/605282551.db2.gz	VHRVSEQLQMEVRH-UHFFFAOYSA-N	-1	0	363.801	2.234	20	10		FECDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000825825033	605383997	/nfs/dbraw/zinc/38/39/97/605383997.db2.gz	WYJCWDCWBLZPDH-XJKSGUPXSA-N	-1	0	360.458	2.399	20	10		FECDRM
O=C([O-])N1CCC(n2cccc2C(=O)NCCc2ccc(O)c(O)c2)CC1	ZINC000834043236	605708130	/nfs/dbraw/zinc/70/81/30/605708130.db2.gz	VHEKTMPFHXMGRJ-UHFFFAOYSA-N	-1	0	373.409	2.187	20	10		FECDRM
O=C([O-])NCCCCC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000834233929	605901424	/nfs/dbraw/zinc/90/14/24/605901424.db2.gz	GFVCMQKUFCDVLL-UHFFFAOYSA-N	-1	0	351.472	2.294	20	10		FECDRM
O=C([O-])NC[C@H]1CCCCN1C(=O)NCCCSc1nccs1	ZINC000834214675	605971046	/nfs/dbraw/zinc/97/10/46/605971046.db2.gz	HHDCXWVFKNRBHP-LLVKDONJSA-N	-1	0	358.489	2.457	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@]12CCC(=O)N1CCS2	ZINC000813685319	674769414	/nfs/dbraw/zinc/76/94/14/674769414.db2.gz	GJKBMOUDCMABGS-AWEZNQCLSA-N	-1	0	361.250	2.381	20	10		FECDRM
CN(C)c1ccc(CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)cc1	ZINC000025065223	670059012	/nfs/dbraw/zinc/05/90/12/670059012.db2.gz	HMDXFJSGGWCWDQ-UHFFFAOYSA-N	-1	0	365.430	2.193	20	10		FECDRM
CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000032630117	670130611	/nfs/dbraw/zinc/13/06/11/670130611.db2.gz	YZKDFKLOQJVIHR-UHFFFAOYSA-N	-1	0	362.436	2.242	20	10		FECDRM
CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000075082205	670528064	/nfs/dbraw/zinc/52/80/64/670528064.db2.gz	RPVTZUISEQJJAH-UHFFFAOYSA-N	-1	0	362.436	2.475	20	10		FECDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC	ZINC000817353939	675124187	/nfs/dbraw/zinc/12/41/87/675124187.db2.gz	XVTWPCLKSKJUQE-SNVBAGLBSA-N	-1	0	363.407	2.121	20	10		FECDRM
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(Br)c1[O-]	ZINC000093417154	670753588	/nfs/dbraw/zinc/75/35/88/670753588.db2.gz	JHNBYSPHKNBFBY-SNVBAGLBSA-N	-1	0	350.278	2.410	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2csc(C(=O)[O-])c2)cc1F	ZINC000184968221	672514327	/nfs/dbraw/zinc/51/43/27/672514327.db2.gz	DYMNLVYGVAOBQR-UHFFFAOYSA-N	-1	0	358.416	2.130	20	10		FECDRM
Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)n1-c1cccc(Cl)c1	ZINC000262418625	672915243	/nfs/dbraw/zinc/91/52/43/672915243.db2.gz	QORLKADOBDDJEV-QGZVFWFLSA-N	-1	0	350.802	2.313	20	10		FECDRM
CN(CCS(C)(=O)=O)Cc1cc(Cl)cc(Br)c1[O-]	ZINC000708138515	673065018	/nfs/dbraw/zinc/06/50/18/673065018.db2.gz	BWOCWSJETIVQFE-UHFFFAOYSA-N	-1	0	356.669	2.285	20	10		FECDRM
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2=CC(=O)CS2)c1	ZINC000731864957	673345650	/nfs/dbraw/zinc/34/56/50/673345650.db2.gz	GGCJLHJXFXNYQM-UHFFFAOYSA-N	-1	0	370.452	2.442	20	10		FECDRM
CCn1nc(C)c(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1C	ZINC000743047158	673747854	/nfs/dbraw/zinc/74/78/54/673747854.db2.gz	SOBYSOQOUQEFEX-UHFFFAOYSA-N	-1	0	366.472	2.178	20	10		FECDRM
COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000827489853	675759914	/nfs/dbraw/zinc/75/99/14/675759914.db2.gz	WHTFSGGHLGENAA-HNNXBMFYSA-N	-1	0	358.778	2.108	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2ccc(CC(N)=O)s2)c(C)c(C)c1O	ZINC000840914207	680852430	/nfs/dbraw/zinc/85/24/30/680852430.db2.gz	RDIQSWZAJVQIHB-UHFFFAOYSA-N	-1	0	354.453	2.208	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1[O-]	ZINC000769410354	680981751	/nfs/dbraw/zinc/98/17/51/680981751.db2.gz	BMKPMCZOUVFWHC-JSGCOSHPSA-N	-1	0	374.846	2.495	20	10		FECDRM
CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000769534022	680986143	/nfs/dbraw/zinc/98/61/43/680986143.db2.gz	QLKSKLUJGCSUQR-NSHDSACASA-N	-1	0	353.271	2.213	20	10		FECDRM
CCN1C[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000845485571	681131779	/nfs/dbraw/zinc/13/17/79/681131779.db2.gz	DLUBZYXTECMGRC-VIFPVBQESA-N	-1	0	360.241	2.367	20	10		FECDRM
COc1ccc(O)c([C@H](C)NCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1	ZINC000775372761	681301783	/nfs/dbraw/zinc/30/17/83/681301783.db2.gz	IPJQVENRKOLQEK-NSHDSACASA-N	-1	0	361.423	2.074	20	10		FECDRM
COCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000776435041	681391664	/nfs/dbraw/zinc/39/16/64/681391664.db2.gz	WVVFMEJPVWMMCE-UHFFFAOYSA-N	-1	0	351.380	2.080	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000776748657	681433151	/nfs/dbraw/zinc/43/31/51/681433151.db2.gz	VZZWRZBPMREVEI-UHFFFAOYSA-N	-1	0	353.312	2.318	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C)n1-c1ccccc1C	ZINC000779208078	681689181	/nfs/dbraw/zinc/68/91/81/681689181.db2.gz	FITOYTOUYFQTJO-HNNXBMFYSA-N	-1	0	362.451	2.251	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1	ZINC000779461077	681718202	/nfs/dbraw/zinc/71/82/02/681718202.db2.gz	URUOPANNLVTSIH-UHFFFAOYSA-N	-1	0	356.787	2.336	20	10		FECDRM
COc1ccc(N(Cc2cccs2)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000852725798	682326651	/nfs/dbraw/zinc/32/66/51/682326651.db2.gz	OZBNVEOUJXFIBK-MRXNPFEDSA-N	-1	0	360.435	2.449	20	10		FECDRM
O=C([O-])CN1CC[C@@H](N2CCCc3cc(OC(F)(F)F)ccc32)C1=O	ZINC000852725804	682326789	/nfs/dbraw/zinc/32/67/89/682326789.db2.gz	PFUPFBORSABUBS-CYBMUJFWSA-N	-1	0	358.316	2.023	20	10		FECDRM
Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000794870910	683000731	/nfs/dbraw/zinc/00/07/31/683000731.db2.gz	ZNUKCKCDLUOPGE-MDWZMJQESA-N	-1	0	359.432	2.467	20	10		FECDRM
CCCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H](COC)C(=O)[O-]	ZINC000929045844	683539304	/nfs/dbraw/zinc/53/93/04/683539304.db2.gz	SEBUSWMNVWPAAV-CJNGLKHVSA-N	-1	0	351.447	2.335	20	10		FECDRM
COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)SCC(=O)[O-])C2)cc1	ZINC000872874346	685027540	/nfs/dbraw/zinc/02/75/40/685027540.db2.gz	BLVVKOUAODAOQJ-CYBMUJFWSA-N	-1	0	366.483	2.234	20	10		FECDRM
Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1	ZINC000910531680	685070635	/nfs/dbraw/zinc/07/06/35/685070635.db2.gz	TYLRPTKKKKSOCG-SFHVURJKSA-N	-1	0	362.813	2.409	20	10		FECDRM
O=C([O-])Cc1occc1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000911226888	685185332	/nfs/dbraw/zinc/18/53/32/685185332.db2.gz	MZTXQVMSEHCXCC-UHFFFAOYSA-N	-1	0	360.435	2.390	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cnn(CC2CC2)c1	ZINC000911360446	685203124	/nfs/dbraw/zinc/20/31/24/685203124.db2.gz	UHOWXAKAVHKOOD-UHFFFAOYSA-N	-1	0	363.801	2.379	20	10		FECDRM
CC(C)c1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1O	ZINC000882798827	687496325	/nfs/dbraw/zinc/49/63/25/687496325.db2.gz	FNLHQDTZIMRQHN-CYBMUJFWSA-N	-1	0	351.428	2.474	20	10		FECDRM
[O-]c1c(Br)cc(Cl)cc1CNCc1nnnn1C1CC1	ZINC000883023243	687548208	/nfs/dbraw/zinc/54/82/08/687548208.db2.gz	PVKNHSJOQRXBEQ-UHFFFAOYSA-N	-1	0	358.627	2.419	20	10		FECDRM
COC(=O)C[C@H]1COCCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894781883	689594740	/nfs/dbraw/zinc/59/47/40/689594740.db2.gz	TXSJRCGMIGTUMX-NSHDSACASA-N	-1	0	362.195	2.058	20	10		FECDRM
O=[N+]([O-])c1cccnc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000894962756	689630501	/nfs/dbraw/zinc/63/05/01/689630501.db2.gz	KERCCNQNEHYPTC-UHFFFAOYSA-N	-1	0	350.325	2.296	20	10		FECDRM
CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000055628306	205222079	/nfs/dbraw/zinc/22/20/79/205222079.db2.gz	ZVXRKSQLWSWUGC-UHFFFAOYSA-N	-1	0	362.436	2.242	20	10		FECDRM
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CN(C)CCO1	ZINC000805221184	674326312	/nfs/dbraw/zinc/32/63/12/674326312.db2.gz	GLFSVPRBDPDRSB-RNCFNFMXSA-N	-1	0	362.257	2.217	20	10		FECDRM
O=C(NCC1CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000177018922	546525456	/nfs/dbraw/zinc/52/54/56/546525456.db2.gz	YJEFOVOOYWLSDE-UHFFFAOYSA-N	-1	0	352.437	2.394	20	10		FECDRM
CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000181554308	547333403	/nfs/dbraw/zinc/33/34/03/547333403.db2.gz	TXDYTSYCXWEJOZ-LLVKDONJSA-N	-1	0	353.271	2.213	20	10		FECDRM
COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nn1	ZINC000184758431	547875819	/nfs/dbraw/zinc/87/58/19/547875819.db2.gz	XFMGDRDCNDNRSP-UHFFFAOYSA-N	-1	0	350.806	2.261	20	10		FECDRM
O=S(=O)([N-]c1ccccc1O[C@H]1CCOC1)c1cccc2nonc21	ZINC000268860070	550124859	/nfs/dbraw/zinc/12/48/59/550124859.db2.gz	MKPULIAESZDRKN-NSHDSACASA-N	-1	0	361.379	2.191	20	10		FECDRM
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	ZINC000278382456	550779430	/nfs/dbraw/zinc/77/94/30/550779430.db2.gz	LXYPWWXJUVOSGW-OSMZGAPFSA-N	-1	0	350.371	2.083	20	10		FECDRM
CCCN(C)C(=O)C(=O)N(CC)Cc1cc(Br)ccc1O	ZINC000297938099	553359684	/nfs/dbraw/zinc/35/96/84/553359684.db2.gz	SSKKCUVMFUKBKO-UHFFFAOYSA-N	-1	0	357.248	2.372	20	10		FECDRM
CC1(Cn2cc(C(=O)NCc3cc(Cl)cc(Cl)c3[O-])nn2)COC1	ZINC000377089630	558263914	/nfs/dbraw/zinc/26/39/14/558263914.db2.gz	NUVBLGKPWQTVJY-UHFFFAOYSA-N	-1	0	371.224	2.257	20	10		FECDRM
O=C([O-])CC[NH2+]Cc1cc(Br)cc(Br)c1[O-]	ZINC000821525430	598193207	/nfs/dbraw/zinc/19/32/07/598193207.db2.gz	SKMHVRHYWRWWKW-UHFFFAOYSA-N	-1	0	353.010	2.482	20	10		FECDRM
O=C(CSc1nnnn1C1CC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835608	674430962	/nfs/dbraw/zinc/43/09/62/674430962.db2.gz	JMWBGLKVVOCDMK-UHFFFAOYSA-N	-1	0	374.253	2.429	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000737494603	599724646	/nfs/dbraw/zinc/72/46/46/599724646.db2.gz	XAGCSANKOFXRTM-UHFFFAOYSA-N	-1	0	361.329	2.218	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1	ZINC000737376912	599877357	/nfs/dbraw/zinc/87/73/57/599877357.db2.gz	GDUBKPRZYYBGJD-UHFFFAOYSA-N	-1	0	369.421	2.025	20	10		FECDRM
COc1cc2c(nn1)CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737906985	599967940	/nfs/dbraw/zinc/96/79/40/599967940.db2.gz	LAYUIJZTYJVVDO-HWKANZROSA-N	-1	0	356.338	2.054	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1	ZINC000327504721	600146327	/nfs/dbraw/zinc/14/63/27/600146327.db2.gz	HLCQMSCMBRXCPL-UHFFFAOYSA-N	-1	0	366.414	2.411	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000738232282	600202306	/nfs/dbraw/zinc/20/23/06/600202306.db2.gz	ZZEXHIRVIBYIQJ-UHFFFAOYSA-N	-1	0	355.394	2.014	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000737476591	601126244	/nfs/dbraw/zinc/12/62/44/601126244.db2.gz	KWAGUFNCFBHGLW-SJORKVTESA-N	-1	0	360.454	2.373	20	10		FECDRM
Nc1cc(C2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)[nH]n1	ZINC000833090304	601140843	/nfs/dbraw/zinc/14/08/43/601140843.db2.gz	HRDRQZJASREGOA-RQOWECAXSA-N	-1	0	357.370	2.382	20	10		FECDRM
O=C([O-])c1cn(CC(=O)NCCc2ccc(O)c(O)c2)c2ccccc12	ZINC000833120117	601144746	/nfs/dbraw/zinc/14/47/46/601144746.db2.gz	OOOQPVQIDRUSKH-UHFFFAOYSA-N	-1	0	354.362	2.110	20	10		FECDRM
Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)n1-c1ccc(C)c(F)c1	ZINC000832909927	601595549	/nfs/dbraw/zinc/59/55/49/601595549.db2.gz	LFBOAHPVKKZECX-QAPCUYQASA-N	-1	0	374.412	2.244	20	10		FECDRM
COc1ccc(N2CCN(C(=O)CNc3cccc(C(=O)[O-])c3)CC2)cc1	ZINC000832383475	601807830	/nfs/dbraw/zinc/80/78/30/601807830.db2.gz	HZZNLCHBXOIYAE-UHFFFAOYSA-N	-1	0	369.421	2.154	20	10		FECDRM
C[C@@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1ccc(N2CCOCC2)cc1	ZINC000738949693	601913652	/nfs/dbraw/zinc/91/36/52/601913652.db2.gz	BYXVBSMKUZRRGN-CQSZACIVSA-N	-1	0	361.442	2.281	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)C3CCN(C(=O)[O-])CC3)CC2)cc1	ZINC000738098626	602254985	/nfs/dbraw/zinc/25/49/85/602254985.db2.gz	RXSKYIIVDFHWOS-UHFFFAOYSA-N	-1	0	361.442	2.170	20	10		FECDRM
O=C([O-])N1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	ZINC000740507303	602634218	/nfs/dbraw/zinc/63/42/18/602634218.db2.gz	PAJAHABHCRBPLP-AWEZNQCLSA-N	-1	0	359.382	2.449	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1	ZINC000739909709	602964865	/nfs/dbraw/zinc/96/48/65/602964865.db2.gz	MLPQGMVADDBDGG-DLBZAZTESA-N	-1	0	361.442	2.170	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1	ZINC000739908110	602983190	/nfs/dbraw/zinc/98/31/90/602983190.db2.gz	GIGMZWIHMBESQI-DLBZAZTESA-N	-1	0	361.442	2.217	20	10		FECDRM
CCOc1ncccc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827465875	603023166	/nfs/dbraw/zinc/02/31/66/603023166.db2.gz	TXXNRUWEMCQNPJ-INIZCTEOSA-N	-1	0	372.425	2.285	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CCc2ccccn2)NC(=O)[O-])cc1	ZINC000828064785	603024044	/nfs/dbraw/zinc/02/40/44/603024044.db2.gz	YKVZWCWDBDTSPT-KRWDZBQOSA-N	-1	0	356.426	2.205	20	10		FECDRM
CCn1nc(C)c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1C	ZINC000827717626	603025284	/nfs/dbraw/zinc/02/52/84/603025284.db2.gz	OVYCGILLFRPMSM-INIZCTEOSA-N	-1	0	373.457	2.325	20	10		FECDRM
C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825616240	603033582	/nfs/dbraw/zinc/03/35/82/603033582.db2.gz	AHCFYWVPWORFMU-CXAGYDPISA-N	-1	0	372.425	2.040	20	10		FECDRM
C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000825178363	603070534	/nfs/dbraw/zinc/07/05/34/603070534.db2.gz	RNECIUMMCRMOBM-QWRGUYRKSA-N	-1	0	357.357	2.029	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1	ZINC000739617765	603384054	/nfs/dbraw/zinc/38/40/54/603384054.db2.gz	IUDYMEHJPKIRDA-UHFFFAOYSA-N	-1	0	374.372	2.237	20	10		FECDRM
C[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)c1cccnc1	ZINC000823687600	603853130	/nfs/dbraw/zinc/85/31/30/603853130.db2.gz	XWWXHNBENZATBK-GUYCJALGSA-N	-1	0	356.426	2.376	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCCCC2)NC(=O)[O-])cc1	ZINC000828064113	603853996	/nfs/dbraw/zinc/85/39/96/603853996.db2.gz	LKCRSGFWWYUJNY-MRXNPFEDSA-N	-1	0	363.458	2.263	20	10		FECDRM
COc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1O	ZINC000829560127	604204615	/nfs/dbraw/zinc/20/46/15/604204615.db2.gz	OVUPDUMYIYFQHN-DGCLKSJQSA-N	-1	0	351.403	2.026	20	10		FECDRM
CN(C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1)C(=O)[O-]	ZINC000828254169	604337279	/nfs/dbraw/zinc/33/72/79/604337279.db2.gz	WGXAUQFDPCQHFI-NSHDSACASA-N	-1	0	358.489	2.267	20	10		FECDRM
CN1CCCc2cc(CNC(=O)C(=O)Nc3cc(C(=O)[O-])cs3)ccc21	ZINC000830945929	604533002	/nfs/dbraw/zinc/53/30/02/604533002.db2.gz	CDOFWHTULSHFHG-UHFFFAOYSA-N	-1	0	373.434	2.084	20	10		FECDRM
Cc1[nH]c(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1C(=O)[O-]	ZINC000832843940	604765031	/nfs/dbraw/zinc/76/50/31/604765031.db2.gz	JJZWOQPIMSYBQY-XQRVVYSFSA-N	-1	0	359.334	2.180	20	10		FECDRM
Cc1cc(CNCc2cn(CC(=O)[O-])nn2)c(C)n1-c1cccc(C)c1	ZINC000833752214	604992796	/nfs/dbraw/zinc/99/27/96/604992796.db2.gz	NLJGLFFBOUTFOF-UHFFFAOYSA-N	-1	0	353.426	2.368	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000833734003	605034025	/nfs/dbraw/zinc/03/40/25/605034025.db2.gz	YPTPKUGUYAMWNS-SNVBAGLBSA-N	-1	0	351.380	2.139	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1	ZINC000833733848	605034121	/nfs/dbraw/zinc/03/41/21/605034121.db2.gz	SNZWTYOVLWDHJE-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000834041868	605440312	/nfs/dbraw/zinc/44/03/12/605440312.db2.gz	AXYZJIIABCDCCP-KRWDZBQOSA-N	-1	0	356.378	2.034	20	10		FECDRM
O=C([O-])N[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	ZINC000834121512	605548695	/nfs/dbraw/zinc/54/86/95/605548695.db2.gz	LULXOIXXARIRKA-CQSZACIVSA-N	-1	0	350.758	2.376	20	10		FECDRM
Cc1cc(Br)cc(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1O	ZINC000833897379	605994568	/nfs/dbraw/zinc/99/45/68/605994568.db2.gz	JHLCGOCGNNWRBK-ZWNOBZJWSA-N	-1	0	373.247	2.320	20	10		FECDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000833865121	606031725	/nfs/dbraw/zinc/03/17/25/606031725.db2.gz	JUXNYSNHRIDGSZ-GUYCJALGSA-N	-1	0	363.458	2.463	20	10		FECDRM
O=C1CCc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2N1	ZINC000032087793	670126354	/nfs/dbraw/zinc/12/63/54/670126354.db2.gz	NNFHVNOLAJMSIJ-UHFFFAOYSA-N	-1	0	360.420	2.377	20	10		FECDRM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000161322339	672296652	/nfs/dbraw/zinc/29/66/52/672296652.db2.gz	GRRCECRFAJMSBR-UHFFFAOYSA-N	-1	0	358.379	2.150	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000180235441	672411449	/nfs/dbraw/zinc/41/14/49/672411449.db2.gz	OVPRABHJZSTOQI-ZDUSSCGKSA-N	-1	0	368.480	2.394	20	10		FECDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1	ZINC000708142130	673064955	/nfs/dbraw/zinc/06/49/55/673064955.db2.gz	ZZFPQYOICNNYFM-UHFFFAOYSA-N	-1	0	354.653	2.039	20	10		FECDRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1Cl	ZINC000765090794	680830661	/nfs/dbraw/zinc/83/06/61/680830661.db2.gz	YDDSWSIEQDJKCD-UHFFFAOYSA-N	-1	0	367.770	2.464	20	10		FECDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)o1	ZINC000840914638	680852576	/nfs/dbraw/zinc/85/25/76/680852576.db2.gz	FUHDSXVWVOCKOL-UHFFFAOYSA-N	-1	0	355.368	2.109	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000840918580	680853095	/nfs/dbraw/zinc/85/30/95/680853095.db2.gz	VNSDYLOWSRJKMQ-UHFFFAOYSA-N	-1	0	355.368	2.027	20	10		FECDRM
O=C([O-])CCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000840992767	680859027	/nfs/dbraw/zinc/85/90/27/680859027.db2.gz	NCXKUUFLNDJXPI-OAHLLOKOSA-N	-1	0	350.415	2.338	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000766046998	680864160	/nfs/dbraw/zinc/86/41/60/680864160.db2.gz	AEZOAZOGNOKJSH-UHFFFAOYSA-N	-1	0	354.315	2.443	20	10		FECDRM
C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-]	ZINC000756776552	680497211	/nfs/dbraw/zinc/49/72/11/680497211.db2.gz	PXSLEUSOVZYJPR-SDBXPKJASA-N	-1	0	358.211	2.412	20	10		FECDRM
O=C(CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCCC1	ZINC000775644603	681320688	/nfs/dbraw/zinc/32/06/88/681320688.db2.gz	KDSBARJFQSWLTA-UHFFFAOYSA-N	-1	0	369.868	2.315	20	10		FECDRM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1O	ZINC000776747862	681433210	/nfs/dbraw/zinc/43/32/10/681433210.db2.gz	OZQFQPMKOFORAM-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
COc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(O)c1	ZINC000848593539	681585961	/nfs/dbraw/zinc/58/59/61/681585961.db2.gz	LTXQCSLZEIRIJQ-DDTOSNHZSA-N	-1	0	350.415	2.335	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)OC	ZINC000790409374	682674394	/nfs/dbraw/zinc/67/43/94/682674394.db2.gz	OXBIDSYMEJXGAA-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1	ZINC000790411170	682674718	/nfs/dbraw/zinc/67/47/18/682674718.db2.gz	GGGUBWDQOYSDPX-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000790411173	682674901	/nfs/dbraw/zinc/67/49/01/682674901.db2.gz	GIPQYIOYSMJKEW-UHFFFAOYSA-N	-1	0	367.379	2.299	20	10		FECDRM
CC(C)(C)c1cc(CS(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)no1	ZINC000857226033	682866573	/nfs/dbraw/zinc/86/65/73/682866573.db2.gz	XVLXEFCJKRNIRV-UHFFFAOYSA-N	-1	0	367.456	2.423	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1F	ZINC000797715608	683266951	/nfs/dbraw/zinc/26/69/51/683266951.db2.gz	ROACQXPNIJZRDH-JTQLQIEISA-N	-1	0	351.300	2.097	20	10		FECDRM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820049	683276237	/nfs/dbraw/zinc/27/62/37/683276237.db2.gz	DCCRQBKDGAIDGK-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
[O-]c1cc(F)c(Cl)cc1CN1CCN(CCc2cnccn2)CC1	ZINC000877703720	686440735	/nfs/dbraw/zinc/44/07/35/686440735.db2.gz	QVHJNOMLERXAAJ-UHFFFAOYSA-N	-1	0	350.825	2.335	20	10		FECDRM
C[S@@](=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000805448875	674337407	/nfs/dbraw/zinc/33/74/07/674337407.db2.gz	CJBQTCIRHAQINW-OAQYLSRUSA-N	-1	0	351.255	2.409	20	10		FECDRM
O=C([O-])C1CCC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	ZINC000194396553	548474796	/nfs/dbraw/zinc/47/47/96/548474796.db2.gz	WFBCSDRBKGWCIN-UHFFFAOYSA-N	-1	0	374.481	2.403	20	10		FECDRM
COCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000267034629	550027306	/nfs/dbraw/zinc/02/73/06/550027306.db2.gz	FYMMQCVHCGRNDP-UHFFFAOYSA-N	-1	0	370.452	2.021	20	10		FECDRM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)cc3[O-])cc2)CC1	ZINC000276131972	550577010	/nfs/dbraw/zinc/57/70/10/550577010.db2.gz	CXENOJDYVUOBLY-UHFFFAOYSA-N	-1	0	371.412	2.130	20	10		FECDRM
COc1ccc(N2CCC(N(C)C(=O)N=c3[n-]nc(C)s3)CC2)cc1	ZINC000363075233	555024757	/nfs/dbraw/zinc/02/47/57/555024757.db2.gz	KRPPTSYRKOIPTO-UHFFFAOYSA-N	-1	0	361.471	2.988	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000364528322	555330413	/nfs/dbraw/zinc/33/04/13/555330413.db2.gz	GSFKQNREUBSIHU-QGZVFWFLSA-N	-1	0	366.425	2.129	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1C(N)=O	ZINC000808114141	674441802	/nfs/dbraw/zinc/44/18/02/674441802.db2.gz	RPWZUSWNWNXVQQ-UHFFFAOYSA-N	-1	0	374.777	2.093	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000739627729	599923094	/nfs/dbraw/zinc/92/30/94/599923094.db2.gz	ZEXVKANRYDYHEL-YVARQFDVSA-N	-1	0	357.370	2.201	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1	ZINC000738305503	599967947	/nfs/dbraw/zinc/96/79/47/599967947.db2.gz	ACUPRNHAVQVOQQ-IBGZPJMESA-N	-1	0	356.422	2.371	20	10		FECDRM
Cc1cc(C(=O)OCc2noc(CCC(=O)[O-])n2)c(C)n1-c1ccccn1	ZINC000738351878	600188759	/nfs/dbraw/zinc/18/87/59/600188759.db2.gz	OLGKTPLCZIPSKU-UHFFFAOYSA-N	-1	0	370.365	2.246	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000738402503	600202743	/nfs/dbraw/zinc/20/27/43/600202743.db2.gz	WAINTHGGSOCQTQ-UHFFFAOYSA-N	-1	0	373.384	2.153	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000737596857	600282917	/nfs/dbraw/zinc/28/29/17/600282917.db2.gz	HPOXMEPSLKMOOH-MASHWEEQSA-N	-1	0	360.366	2.472	20	10		FECDRM
CC(C)c1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1C	ZINC000736533445	600313845	/nfs/dbraw/zinc/31/38/45/600313845.db2.gz	XRIOAKAELOAITJ-UHFFFAOYSA-N	-1	0	352.822	2.384	20	10		FECDRM
O=C([O-])CN(CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1O	ZINC000739783626	600314934	/nfs/dbraw/zinc/31/49/34/600314934.db2.gz	DMFDDNJOFMUXHQ-UHFFFAOYSA-N	-1	0	354.834	2.335	20	10		FECDRM
COc1cc(N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc(OC)c1OC	ZINC000737892140	600969944	/nfs/dbraw/zinc/96/99/44/600969944.db2.gz	JZFLFJSHRFTIHQ-UHFFFAOYSA-N	-1	0	374.393	2.486	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC000832384245	601493472	/nfs/dbraw/zinc/49/34/72/601493472.db2.gz	VQNAQJIJRBARLK-GUYCJALGSA-N	-1	0	361.442	2.026	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000832961397	601597338	/nfs/dbraw/zinc/59/73/38/601597338.db2.gz	YVWUUMLTMWFZNT-SFHVURJKSA-N	-1	0	356.422	2.371	20	10		FECDRM
CN(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])cc1F	ZINC000739619287	601932986	/nfs/dbraw/zinc/93/29/86/601932986.db2.gz	VMEVFBKDIFHOEE-INIZCTEOSA-N	-1	0	359.401	2.387	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)n(C)n2)NC(=O)[O-])cc1	ZINC000828063950	603025727	/nfs/dbraw/zinc/02/57/27/603025727.db2.gz	JZUCPEKPGBDUNC-MRXNPFEDSA-N	-1	0	371.441	2.102	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)/C=C\C2CCOCC2)NC(=O)[O-])cc1	ZINC000828063154	603025784	/nfs/dbraw/zinc/02/57/84/603025784.db2.gz	AUUKSLNTNKZMKN-VCKUIECUSA-N	-1	0	361.442	2.160	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c[nH]2)NC(=O)[O-])cc1	ZINC000828063337	603031036	/nfs/dbraw/zinc/03/10/36/603031036.db2.gz	CQQRVYXBDJESOP-CQSZACIVSA-N	-1	0	350.806	2.473	20	10		FECDRM
COc1ccc(O)c(CNC(=O)NCc2ccc(CCNC(=O)[O-])cc2)c1	ZINC000739931546	603167658	/nfs/dbraw/zinc/16/76/58/603167658.db2.gz	OGKSOZQCOFFMDQ-UHFFFAOYSA-N	-1	0	373.409	2.210	20	10		FECDRM
C[C@H](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)NC(=O)[O-]	ZINC000824665533	603361459	/nfs/dbraw/zinc/36/14/59/603361459.db2.gz	UHDNECNLYJSDIT-AGIUHOORSA-N	-1	0	367.421	2.102	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000738228989	603421521	/nfs/dbraw/zinc/42/15/21/603421521.db2.gz	BZLZHEHDOPWVQY-UHFFFAOYSA-N	-1	0	370.409	2.406	20	10		FECDRM
C[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)c1cccnc1	ZINC000823687599	603853152	/nfs/dbraw/zinc/85/31/52/603853152.db2.gz	XWWXHNBENZATBK-DYVFJYSZSA-N	-1	0	356.426	2.376	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F	ZINC000828068995	603885155	/nfs/dbraw/zinc/88/51/55/603885155.db2.gz	XFUGSLQYOJLGMC-AGUYFDCRSA-N	-1	0	364.421	2.364	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@]3(C)CCN(C(=O)[O-])C3)CC2)cc1	ZINC000829423391	603914313	/nfs/dbraw/zinc/91/43/13/603914313.db2.gz	GBFHJAZBRMHDQD-LJQANCHMSA-N	-1	0	361.442	2.170	20	10		FECDRM
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000827052318	604662197	/nfs/dbraw/zinc/66/21/97/604662197.db2.gz	QODDOUYYYVJHKS-QGZVFWFLSA-N	-1	0	363.458	2.260	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(OC)c1C(=O)[O-]	ZINC000833734573	605202635	/nfs/dbraw/zinc/20/26/35/605202635.db2.gz	NMYBNVMZMXIBBF-UHFFFAOYSA-N	-1	0	367.379	2.217	20	10		FECDRM
O=C([O-])N1CC(OCCC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	ZINC000834070436	605314703	/nfs/dbraw/zinc/31/47/03/605314703.db2.gz	YSEBHMGZHSSUJX-UHFFFAOYSA-N	-1	0	374.393	2.283	20	10		FECDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCCSc1nccs1	ZINC000825825364	605412583	/nfs/dbraw/zinc/41/25/83/605412583.db2.gz	ZPQQXJJLCDTUMU-QWRGUYRKSA-N	-1	0	358.489	2.455	20	10		FECDRM
Cc1cc(Br)c(O)c(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1	ZINC000833897329	605912785	/nfs/dbraw/zinc/91/27/85/605912785.db2.gz	IIDWFQLLKYCGKT-MFKMUULPSA-N	-1	0	373.247	2.320	20	10		FECDRM
Cc1cc(Br)cc(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1O	ZINC000833897378	605994515	/nfs/dbraw/zinc/99/45/15/605994515.db2.gz	JHLCGOCGNNWRBK-MFKMUULPSA-N	-1	0	373.247	2.320	20	10		FECDRM
Cn1cnc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c1Cl	ZINC000130699785	672078604	/nfs/dbraw/zinc/07/86/04/672078604.db2.gz	KJTDUFZTAGSDJI-UHFFFAOYSA-N	-1	0	355.832	2.393	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000158138759	672266559	/nfs/dbraw/zinc/26/65/59/672266559.db2.gz	FKWIBSWSDVPUOY-ZDUSSCGKSA-N	-1	0	368.480	2.252	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cn1C	ZINC000174323944	672360109	/nfs/dbraw/zinc/36/01/09/672360109.db2.gz	VEOCHHYXOOUHOV-UHFFFAOYSA-N	-1	0	367.408	2.329	20	10		FECDRM
CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1	ZINC000312855187	673029182	/nfs/dbraw/zinc/02/91/82/673029182.db2.gz	QZQDSVTXVXHUDJ-NSHDSACASA-N	-1	0	362.289	2.411	20	10		FECDRM
CCN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000715773002	673073664	/nfs/dbraw/zinc/07/36/64/673073664.db2.gz	QYKGXRSDPXMPDC-LLVKDONJSA-N	-1	0	366.252	2.303	20	10		FECDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000740706241	673651201	/nfs/dbraw/zinc/65/12/01/673651201.db2.gz	SOIDLKUGXMAGCG-UHFFFAOYSA-N	-1	0	351.380	2.273	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)NCc2ccc(N(C)C)c(F)c2)c1	ZINC000819196536	675268682	/nfs/dbraw/zinc/26/86/82/675268682.db2.gz	SAARVPISSSTTMM-RUZDIDTESA-N	-1	0	364.442	2.324	20	10		FECDRM
O=S1(=O)CCN(Cc2cccc(Br)c2[O-])[C@@H]2CCC[C@H]21	ZINC000825203124	675641381	/nfs/dbraw/zinc/64/13/81/675641381.db2.gz	XRJKRRPJMPVJPW-CHWSQXEVSA-N	-1	0	360.273	2.306	20	10		FECDRM
COC(=O)CCCc1csc(NC(=O)c2c(F)ccc(O)c2[O-])n1	ZINC000826838211	675709562	/nfs/dbraw/zinc/70/95/62/675709562.db2.gz	WTDBWXSMHPNILQ-UHFFFAOYSA-N	-1	0	354.359	2.441	20	10		FECDRM
Cn1cnc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000827382919	675752323	/nfs/dbraw/zinc/75/23/23/675752323.db2.gz	SFQOVGSPKXIKBW-UHFFFAOYSA-N	-1	0	358.229	2.260	20	10		FECDRM
COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765055891	680829147	/nfs/dbraw/zinc/82/91/47/680829147.db2.gz	QTFFMUCJCDEGMI-UHFFFAOYSA-N	-1	0	363.395	2.357	20	10		FECDRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000842578364	680953117	/nfs/dbraw/zinc/95/31/17/680953117.db2.gz	ASZQNFJTAOHAMM-UHFFFAOYSA-N	-1	0	366.414	2.472	20	10		FECDRM
COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000770356471	681013644	/nfs/dbraw/zinc/01/36/44/681013644.db2.gz	WOOGOSXHDJWMLH-ZDUSSCGKSA-N	-1	0	360.794	2.352	20	10		FECDRM
CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])no1	ZINC000844783150	681082081	/nfs/dbraw/zinc/08/20/81/681082081.db2.gz	UOPLGCUSGZMAAG-UHFFFAOYSA-N	-1	0	354.384	2.318	20	10		FECDRM
Cn1nccc1[C@@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000846116316	681184681	/nfs/dbraw/zinc/18/46/81/681184681.db2.gz	SFNCSLOLWBQEFE-AWEZNQCLSA-N	-1	0	352.778	2.261	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000775286047	681291886	/nfs/dbraw/zinc/29/18/86/681291886.db2.gz	AENJXKMAVYSFLU-UHFFFAOYSA-N	-1	0	370.314	2.027	20	10		FECDRM
COCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)OC	ZINC000775286062	681292049	/nfs/dbraw/zinc/29/20/49/681292049.db2.gz	AZMODSPXDIVMJF-UHFFFAOYSA-N	-1	0	351.380	2.126	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2	ZINC000775286474	681292526	/nfs/dbraw/zinc/29/25/26/681292526.db2.gz	JUHATLVNFOUQJY-JTQLQIEISA-N	-1	0	363.391	2.303	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)c1[O-]	ZINC000848561876	681579038	/nfs/dbraw/zinc/57/90/38/681579038.db2.gz	FCHQSPQELQWMHK-NSHDSACASA-N	-1	0	353.766	2.213	20	10		FECDRM
COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1O	ZINC000848594840	681586892	/nfs/dbraw/zinc/58/68/92/681586892.db2.gz	AFPCFCZHEQCWPH-WCFLWFBJSA-N	-1	0	350.415	2.335	20	10		FECDRM
C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)[O-]	ZINC000780525261	681838770	/nfs/dbraw/zinc/83/87/70/681838770.db2.gz	TXQYCEOIQPRCKP-SNVBAGLBSA-N	-1	0	357.357	2.029	20	10		FECDRM
C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)[O-]	ZINC000780598157	681847842	/nfs/dbraw/zinc/84/78/42/681847842.db2.gz	HUBQKMQDTQCBTF-MNOVXSKESA-N	-1	0	357.357	2.029	20	10		FECDRM
COCc1nnc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[n-]1	ZINC000850515571	681911232	/nfs/dbraw/zinc/91/12/32/681911232.db2.gz	YVFVUFUOXCCRNU-ZETCQYMHSA-N	-1	0	359.199	2.409	20	10		FECDRM
CCS(=O)(=O)C=C([O-])c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	ZINC000915363004	685514650	/nfs/dbraw/zinc/51/46/50/685514650.db2.gz	YCZRMNCENYOIFS-UHFFFAOYSA-N	-1	0	363.435	2.483	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)c1F	ZINC000782913480	682094000	/nfs/dbraw/zinc/09/40/00/682094000.db2.gz	RHYDZINGSYICJH-UHFFFAOYSA-N	-1	0	355.343	2.347	20	10		FECDRM
COCc1noc(CN2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1	ZINC000783704156	682168070	/nfs/dbraw/zinc/16/80/70/682168070.db2.gz	BISKZHIGBFSJFZ-UHFFFAOYSA-N	-1	0	370.812	2.032	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)cc1F	ZINC000852951535	682359292	/nfs/dbraw/zinc/35/92/92/682359292.db2.gz	QKOBIJYFTAELIN-OAHLLOKOSA-N	-1	0	352.406	2.230	20	10		FECDRM
COc1cc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)ccc1F	ZINC000786873336	682415056	/nfs/dbraw/zinc/41/50/56/682415056.db2.gz	DCMPNXUULUTCSN-UHFFFAOYSA-N	-1	0	368.415	2.492	20	10		FECDRM
CCS(=O)(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC000789958686	682640652	/nfs/dbraw/zinc/64/06/52/682640652.db2.gz	ICSXELORKNOOEL-UHFFFAOYSA-N	-1	0	354.359	2.251	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000790415496	682675143	/nfs/dbraw/zinc/67/51/43/682675143.db2.gz	HHDYNXUFARMPEW-UHFFFAOYSA-N	-1	0	369.370	2.358	20	10		FECDRM
CS(=O)(=O)NC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F	ZINC000792162816	682792880	/nfs/dbraw/zinc/79/28/80/682792880.db2.gz	PUMZUOPPKDMYMR-JTQLQIEISA-N	-1	0	350.843	2.088	20	10		FECDRM
CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1OC	ZINC000795276605	683034552	/nfs/dbraw/zinc/03/45/52/683034552.db2.gz	RFQGTAWYJLPSNJ-UHFFFAOYSA-N	-1	0	370.814	2.215	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(F)c1	ZINC000797819884	683276284	/nfs/dbraw/zinc/27/62/84/683276284.db2.gz	VCWIRQKBWWMVRO-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820217	683276319	/nfs/dbraw/zinc/27/63/19/683276319.db2.gz	LWINOUCHBGKKNP-UHFFFAOYSA-N	-1	0	351.380	2.297	20	10		FECDRM
O=S(=O)(N=S1(=O)CCCC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000867270311	684236020	/nfs/dbraw/zinc/23/60/20/684236020.db2.gz	NCEACFKTFWRYKQ-UHFFFAOYSA-N	-1	0	373.283	2.295	20	10		FECDRM
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCc2cc(Br)ccc2O)C1	ZINC000911556951	685224818	/nfs/dbraw/zinc/22/48/18/685224818.db2.gz	XMKUYEGYRSBNQA-CMPLNLGQSA-N	-1	0	372.215	2.041	20	10		FECDRM
C[C@@H](O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000895015171	689640373	/nfs/dbraw/zinc/64/03/73/689640373.db2.gz	DLJROXCRGVXMDS-PELKAZGASA-N	-1	0	350.640	2.390	20	10		FECDRM
Cn1cc([C@H]2C[S@](=O)CCN2Cc2c([O-])ccc(Cl)c2F)cn1	ZINC000895377777	689706287	/nfs/dbraw/zinc/70/62/87/689706287.db2.gz	HBSOQOHYFIQLRO-JCQPUDPBSA-N	-1	0	357.838	2.224	20	10		FECDRM
C[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(N2CCOCC2)cc1	ZINC000780478276	939127531	/nfs/dbraw/zinc/12/75/31/939127531.db2.gz	MZRGWYRRODPBAU-CQSZACIVSA-N	-1	0	361.442	2.281	20	10		FECDRM
CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000031669369	539914996	/nfs/dbraw/zinc/91/49/96/539914996.db2.gz	LQBBCJBVPLYCES-UHFFFAOYSA-N	-1	0	362.436	2.160	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CCCS1(=O)=O	ZINC000805216178	674326172	/nfs/dbraw/zinc/32/61/72/674326172.db2.gz	HERMPCMZAUOGMG-JTQLQIEISA-N	-1	0	367.254	2.075	20	10		FECDRM
CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc21	ZINC000192733252	548372165	/nfs/dbraw/zinc/37/21/65/548372165.db2.gz	VLBUNLYXSHUHOK-UHFFFAOYSA-N	-1	0	360.420	2.011	20	10		FECDRM
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	ZINC000278382453	550779362	/nfs/dbraw/zinc/77/93/62/550779362.db2.gz	LXYPWWXJUVOSGW-JKOKRWQUSA-N	-1	0	350.371	2.083	20	10		FECDRM
Cn1[nH]cc2/c(=N\C(=O)NCc3ccc4c(c3)CCCN4C)ccnc1-2	ZINC000286987661	551948576	/nfs/dbraw/zinc/94/85/76/551948576.db2.gz	ALNFYVLIEJZRPO-KQWNVCNZSA-N	-1	0	350.426	2.046	20	10		FECDRM
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)S1(=O)=O	ZINC000289692470	552362816	/nfs/dbraw/zinc/36/28/16/552362816.db2.gz	FOQYUYGQDWVTQX-SKDRFNHKSA-N	-1	0	362.835	2.351	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@H]1Cc2cc(C)c(C)cc2O1	ZINC000378280359	558518621	/nfs/dbraw/zinc/51/86/21/558518621.db2.gz	GBKGCNHVAXPZLY-GXTWGEPZSA-N	-1	0	351.424	2.134	20	10		FECDRM
O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1cccc2nsnc21	ZINC000531382391	562444227	/nfs/dbraw/zinc/44/42/27/562444227.db2.gz	JCCUKJUEJYMUMP-UHFFFAOYSA-N	-1	0	372.435	2.132	20	10		FECDRM
COCc1ccccc1CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000806632892	674384514	/nfs/dbraw/zinc/38/45/14/674384514.db2.gz	VXIPNCQZSNRZMV-UHFFFAOYSA-N	-1	0	351.380	2.179	20	10		FECDRM
CC(C)CN1C[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1=O	ZINC000324112244	599835267	/nfs/dbraw/zinc/83/52/67/599835267.db2.gz	NXEDUEJIXUUHIH-JTQLQIEISA-N	-1	0	350.440	2.378	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000739627727	599923067	/nfs/dbraw/zinc/92/30/67/599923067.db2.gz	ZEXVKANRYDYHEL-SDQPKGBYSA-N	-1	0	357.370	2.201	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1	ZINC000326606565	600162636	/nfs/dbraw/zinc/16/26/36/600162636.db2.gz	KDAMRYRQYIPXRR-UHFFFAOYSA-N	-1	0	362.451	2.413	20	10		FECDRM
O=C([O-])c1ccsc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000833145073	600901187	/nfs/dbraw/zinc/90/11/87/600901187.db2.gz	CJFWYBFYUVORAV-UHFFFAOYSA-N	-1	0	371.418	2.077	20	10		FECDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000833179267	600920901	/nfs/dbraw/zinc/92/09/01/600920901.db2.gz	OBMFSJHZCOQMKA-LEWSCRJBSA-N	-1	0	354.353	2.094	20	10		FECDRM
O=C([O-])CN(c1cccc(F)c1)S(=O)(=O)c1cccc2nsnc21	ZINC000833249479	601205317	/nfs/dbraw/zinc/20/53/17/601205317.db2.gz	GQCVNOKJBTWBGV-UHFFFAOYSA-N	-1	0	367.383	2.110	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1F	ZINC000832384090	601519555	/nfs/dbraw/zinc/51/95/55/601519555.db2.gz	SQMCDWRTGJXWBX-UONOGXRCSA-N	-1	0	364.417	2.374	20	10		FECDRM
COc1ccc(N(C)CCCN2C(=O)CS/C2=C\C(=O)[O-])cc1F	ZINC000832378074	601969760	/nfs/dbraw/zinc/96/97/60/601969760.db2.gz	CWJRNYHMLPMZJR-DHDCSXOGSA-N	-1	0	354.403	2.162	20	10		FECDRM
C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000828493492	602107256	/nfs/dbraw/zinc/10/72/56/602107256.db2.gz	FXZADEFPPFZWJO-RWMBFGLXSA-N	-1	0	352.406	2.166	20	10		FECDRM
C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000738956691	602972046	/nfs/dbraw/zinc/97/20/46/602972046.db2.gz	BBAGLFFUCVDXHG-JQFCIGGWSA-N	-1	0	361.442	2.137	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1	ZINC000739908112	602983224	/nfs/dbraw/zinc/98/32/24/602983224.db2.gz	GIGMZWIHMBESQI-IRXDYDNUSA-N	-1	0	361.442	2.217	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cn3ccccc3n2)NC(=O)[O-])cc1	ZINC000828063593	603025750	/nfs/dbraw/zinc/02/57/50/603025750.db2.gz	HKEUYTKOMYCKJQ-OAHLLOKOSA-N	-1	0	367.409	2.139	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)C2CCSCC2)NC(=O)[O-])cc1	ZINC000828056571	603032347	/nfs/dbraw/zinc/03/23/47/603032347.db2.gz	SGSIOBUSLLWRLT-HNNXBMFYSA-N	-1	0	351.472	2.321	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1	ZINC000739907322	603151657	/nfs/dbraw/zinc/15/16/57/603151657.db2.gz	AMFSTBFBBIUQJQ-HUUCEWRRSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000828359816	603259632	/nfs/dbraw/zinc/25/96/32/603259632.db2.gz	GLAZIZALQBXYCP-QGZVFWFLSA-N	-1	0	361.442	2.014	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)CN(CC3CC3)C(=O)[O-])CC2)cc1	ZINC000829424692	603374825	/nfs/dbraw/zinc/37/48/25/603374825.db2.gz	SDRLWQAFMQVKCD-UHFFFAOYSA-N	-1	0	361.442	2.124	20	10		FECDRM
CCCN(Cc1ccccc1O)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000826912365	603547277	/nfs/dbraw/zinc/54/72/77/603547277.db2.gz	YLZSPRZWFQDTDX-OAHLLOKOSA-N	-1	0	350.415	2.290	20	10		FECDRM
O=C([O-])N1CCC[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000831319305	603585613	/nfs/dbraw/zinc/58/56/13/603585613.db2.gz	IRFVGEDEORNVHZ-HZPDHXFCSA-N	-1	0	362.426	2.432	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cc1F	ZINC000828069008	603856771	/nfs/dbraw/zinc/85/67/71/603856771.db2.gz	XLQXYTXBIFKXDY-OCCSQVGLSA-N	-1	0	352.410	2.127	20	10		FECDRM
CN(C[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000828205941	604080069	/nfs/dbraw/zinc/08/00/69/604080069.db2.gz	JUVBMUDODWWEOW-INIZCTEOSA-N	-1	0	360.458	2.353	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2csc(C=O)c2)NC(=O)[O-])cc1	ZINC000828064027	604152923	/nfs/dbraw/zinc/15/29/23/604152923.db2.gz	LBOQOPKQYCZUMR-OAHLLOKOSA-N	-1	0	361.423	2.365	20	10		FECDRM
C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000827653865	604502731	/nfs/dbraw/zinc/50/27/31/604502731.db2.gz	SSFHMEGJJAQWTH-PBHICJAKSA-N	-1	0	361.442	2.233	20	10		FECDRM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1O	ZINC000823628419	604611739	/nfs/dbraw/zinc/61/17/39/604611739.db2.gz	PKMWXDPCHCJUSG-OTYXRUKQSA-N	-1	0	356.806	2.105	20	10		FECDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000832917721	604765157	/nfs/dbraw/zinc/76/51/57/604765157.db2.gz	WESBNLRZTPBKRS-DAXSKMNVSA-N	-1	0	371.345	2.300	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1	ZINC000833733624	605033673	/nfs/dbraw/zinc/03/36/73/605033673.db2.gz	LRMUPTJGDFWNTI-SECBINFHSA-N	-1	0	369.370	2.278	20	10		FECDRM
O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1cccc2nonc21	ZINC000014230845	670007654	/nfs/dbraw/zinc/00/76/54/670007654.db2.gz	SCHOMRPZWJGPIA-UHFFFAOYSA-N	-1	0	355.379	2.268	20	10		FECDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000113698434	670887905	/nfs/dbraw/zinc/88/79/05/670887905.db2.gz	BTBIMCJZIMLCDK-AWEZNQCLSA-N	-1	0	364.467	2.497	20	10		FECDRM
Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1C(=O)N(C)C	ZINC000163947683	672311364	/nfs/dbraw/zinc/31/13/64/672311364.db2.gz	WEDNZOJJVOFPKS-UHFFFAOYSA-N	-1	0	360.395	2.034	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000738231085	673611652	/nfs/dbraw/zinc/61/16/52/673611652.db2.gz	PPWCBMBEOXUAIA-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1[O-]	ZINC000825202887	675641505	/nfs/dbraw/zinc/64/15/05/675641505.db2.gz	WKNKBZWRDCSZRN-DGCLKSJQSA-N	-1	0	360.819	2.105	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2	ZINC000840915323	680852662	/nfs/dbraw/zinc/85/26/62/680852662.db2.gz	OVAYSGMGOINWDX-UHFFFAOYSA-N	-1	0	351.380	2.111	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CC2(CC2)C1	ZINC000833322477	680193048	/nfs/dbraw/zinc/19/30/48/680193048.db2.gz	FWSOKSLUGOZMGT-UHFFFAOYSA-N	-1	0	364.448	2.491	20	10		FECDRM
Cn1cnc(-c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])cc2)n1	ZINC000753016139	680270866	/nfs/dbraw/zinc/27/08/66/680270866.db2.gz	PHMZRDGRDVRQTM-UHFFFAOYSA-N	-1	0	366.349	2.267	20	10		FECDRM
CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000769465787	680983858	/nfs/dbraw/zinc/98/38/58/680983858.db2.gz	CRQDVJOIFPGWMW-ZDUSSCGKSA-N	-1	0	372.805	2.496	20	10		FECDRM
O=S1(=O)CC[C@@]2(C1)CN(Cc1cc(Cl)cc(Cl)c1[O-])CCO2	ZINC000843425966	681003368	/nfs/dbraw/zinc/00/33/68/681003368.db2.gz	LSWZIJASFURQBF-AWEZNQCLSA-N	-1	0	366.266	2.089	20	10		FECDRM
O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)C1	ZINC000844934402	681094104	/nfs/dbraw/zinc/09/41/04/681094104.db2.gz	MLZYRWJVAVRWAH-NSHDSACASA-N	-1	0	370.808	2.082	20	10		FECDRM
O=C(NCC[C@]1(O)CCCOC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000845719382	681148229	/nfs/dbraw/zinc/14/82/29/681148229.db2.gz	AAPKLYGQOKRELG-OAHLLOKOSA-N	-1	0	363.241	2.430	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2	ZINC000775286477	681292405	/nfs/dbraw/zinc/29/24/05/681292405.db2.gz	JUHATLVNFOUQJY-SNVBAGLBSA-N	-1	0	363.391	2.303	20	10		FECDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775289107	681293006	/nfs/dbraw/zinc/29/30/06/681293006.db2.gz	RBZMTAQZYGWYIM-UHFFFAOYSA-N	-1	0	371.302	2.457	20	10		FECDRM
NC(=O)c1cccnc1N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775652559	681321479	/nfs/dbraw/zinc/32/14/79/681321479.db2.gz	MZFVOXBLNSWYBN-UHFFFAOYSA-N	-1	0	364.808	2.001	20	10		FECDRM
O=C([O-])CN(CC(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000780399396	681823174	/nfs/dbraw/zinc/82/31/74/681823174.db2.gz	WPOBBWXWGOJXEB-UHFFFAOYSA-N	-1	0	359.348	2.445	20	10		FECDRM
COCc1noc(CN2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1	ZINC000792178660	682794492	/nfs/dbraw/zinc/79/44/92/682794492.db2.gz	DXRMDAWBMDBNMU-UHFFFAOYSA-N	-1	0	370.812	2.032	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C	ZINC000863408913	683717919	/nfs/dbraw/zinc/71/79/19/683717919.db2.gz	UCCYFAYRTYPMFP-UHFFFAOYSA-N	-1	0	365.333	2.344	20	10		FECDRM
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000864340254	683839397	/nfs/dbraw/zinc/83/93/97/683839397.db2.gz	SFSSMQYXCKKJQU-UHFFFAOYSA-N	-1	0	366.351	2.070	20	10		FECDRM
COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1	ZINC000867124996	684215045	/nfs/dbraw/zinc/21/50/45/684215045.db2.gz	GKIAQXMEALPQFU-NSHDSACASA-N	-1	0	352.412	2.172	20	10		FECDRM
O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000872330702	684937143	/nfs/dbraw/zinc/93/71/43/684937143.db2.gz	MHMYJNSFCXYGCL-UHFFFAOYSA-N	-1	0	370.377	2.308	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C	ZINC000872366833	684941349	/nfs/dbraw/zinc/94/13/49/684941349.db2.gz	JXPWPUSCZCVJBI-UHFFFAOYSA-N	-1	0	365.333	2.344	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F	ZINC000872375924	684942440	/nfs/dbraw/zinc/94/24/40/684942440.db2.gz	YLSASSCQEWWIEU-UHFFFAOYSA-N	-1	0	365.333	2.092	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2CCCC(F)(F)C2)cc1	ZINC000872991668	685044568	/nfs/dbraw/zinc/04/45/68/685044568.db2.gz	KRRWWGPMFXZYIU-LBPRGKRZSA-N	-1	0	356.369	2.280	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)C2(C(=O)[O-])CCOCC2)cc1F	ZINC000911351764	685201482	/nfs/dbraw/zinc/20/14/82/685201482.db2.gz	FDJBPFRQBZZUCG-UHFFFAOYSA-N	-1	0	352.406	2.170	20	10		FECDRM
C[C@H](Cc1cnn(C)c1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360862	685203042	/nfs/dbraw/zinc/20/30/42/685203042.db2.gz	ZPRDIOXJWNWUJY-LLVKDONJSA-N	-1	0	365.817	2.071	20	10		FECDRM
NS(=O)(=O)c1cccc2c1CCN(Cc1c([O-])ccc(Cl)c1F)C2	ZINC000877761996	686450224	/nfs/dbraw/zinc/45/02/24/686450224.db2.gz	WLAJZOHUVBJFIG-UHFFFAOYSA-N	-1	0	370.833	2.390	20	10		FECDRM
O=C1N[C@@H](c2cc(Cl)cc(Br)c2[O-])N2CCSC[C@@H]12	ZINC000887329336	688406970	/nfs/dbraw/zinc/40/69/70/688406970.db2.gz	FFUDTRWINGVOSL-GXSJLCMTSA-N	-1	0	363.664	2.354	20	10		FECDRM
CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(F)cc(F)c2[O-])cn1	ZINC000894556104	689554430	/nfs/dbraw/zinc/55/44/30/689554430.db2.gz	UHEDTZPKMSKIFI-OYLFLEFRSA-N	-1	0	355.410	2.192	20	10		FECDRM
CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(F)cc(F)c2[O-])cn1	ZINC000894556098	689554454	/nfs/dbraw/zinc/55/44/54/689554454.db2.gz	UHEDTZPKMSKIFI-IZHWHUGBSA-N	-1	0	355.410	2.192	20	10		FECDRM
C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCS(=O)(=O)C1	ZINC000894566920	689556444	/nfs/dbraw/zinc/55/64/44/689556444.db2.gz	RUODUCWEKFRGQY-SECBINFHSA-N	-1	0	366.252	2.160	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2cccc3c2OCCCO3)SC1=S	ZINC000055037989	540623630	/nfs/dbraw/zinc/62/36/30/540623630.db2.gz	VRIYNGMYYQCJQC-YRNVUSSQSA-N	-1	0	351.405	2.134	20	10		FECDRM
O=S(=O)([N-]c1cccc(-c2nc[nH]n2)c1)c1cccc2nsnc21	ZINC000074049793	542029849	/nfs/dbraw/zinc/02/98/49/542029849.db2.gz	MCECHXBKBMZXEY-UHFFFAOYSA-N	-1	0	358.408	2.277	20	10		FECDRM
COc1ncc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C(N)=O	ZINC000802647579	674190004	/nfs/dbraw/zinc/19/00/04/674190004.db2.gz	HMVNAHDXXRRXCN-UHFFFAOYSA-N	-1	0	352.734	2.068	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1	ZINC000124195159	543806001	/nfs/dbraw/zinc/80/60/01/543806001.db2.gz	NDWAVYQQCNDDRF-CQSZACIVSA-N	-1	0	360.435	2.393	20	10		FECDRM
C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273435945	550498579	/nfs/dbraw/zinc/49/85/79/550498579.db2.gz	MCDHOUVNAZLWMT-XPTSAGLGSA-N	-1	0	374.319	2.135	20	10		FECDRM
CC(=O)N1CCN(c2cccc(NC(=O)c3c(F)ccc(O)c3[O-])c2)CC1	ZINC000295291193	552982435	/nfs/dbraw/zinc/98/24/35/552982435.db2.gz	LLWNOYQMFGATNW-UHFFFAOYSA-N	-1	0	373.384	2.158	20	10		FECDRM
COc1ccncc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807513299	674418331	/nfs/dbraw/zinc/41/83/31/674418331.db2.gz	YIPJRDWZZZRZSZ-UHFFFAOYSA-N	-1	0	370.192	2.358	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1COCCN1CC(F)F	ZINC000807836646	674431217	/nfs/dbraw/zinc/43/12/17/674431217.db2.gz	IOBYCAWFYJXYGZ-NSHDSACASA-N	-1	0	369.195	2.281	20	10		FECDRM
O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837719	674431312	/nfs/dbraw/zinc/43/13/12/674431312.db2.gz	BQCXVWVFFGJWEO-MRVPVSSYSA-N	-1	0	350.223	2.264	20	10		FECDRM
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)c([O-])cc3F)ccc21	ZINC000808115131	674442015	/nfs/dbraw/zinc/44/20/15/674442015.db2.gz	PQRURTHFSHQIMX-UHFFFAOYSA-N	-1	0	372.761	2.430	20	10		FECDRM
O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)c([O-])cc3F)ccc2N1	ZINC000808115539	674442019	/nfs/dbraw/zinc/44/20/19/674442019.db2.gz	ICMUBBGNCNOWDZ-UHFFFAOYSA-N	-1	0	356.762	2.480	20	10		FECDRM
Cc1cnn(C[C@@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)c1	ZINC000738811141	599968106	/nfs/dbraw/zinc/96/81/06/599968106.db2.gz	GFJMLCNXRUUWIA-UJAVWCLSSA-N	-1	0	372.381	2.103	20	10		FECDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000739538103	600119619	/nfs/dbraw/zinc/11/96/19/600119619.db2.gz	FBEGNZIBHLRKHM-ZIAGYGMSSA-N	-1	0	354.353	2.094	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)c1	ZINC000738040990	600128463	/nfs/dbraw/zinc/12/84/63/600128463.db2.gz	FALRRFFDGPTBEQ-SNVBAGLBSA-N	-1	0	373.365	2.307	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC000832910099	600654188	/nfs/dbraw/zinc/65/41/88/600654188.db2.gz	MUYUIQANOPWACP-CQSZACIVSA-N	-1	0	358.394	2.149	20	10		FECDRM
Cc1oc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000833026139	601215378	/nfs/dbraw/zinc/21/53/78/601215378.db2.gz	ACNRPBNVBDQJCI-UHFFFAOYSA-N	-1	0	352.412	2.173	20	10		FECDRM
Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)c(C)n1-c1ccccn1	ZINC000832863607	601329852	/nfs/dbraw/zinc/32/98/52/601329852.db2.gz	SHSLDTBOPJUWOF-UHFFFAOYSA-N	-1	0	357.410	2.243	20	10		FECDRM
C/C(=C/COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000825780459	601406646	/nfs/dbraw/zinc/40/66/46/601406646.db2.gz	FNVXEHHAJIDPII-NTMALXAHSA-N	-1	0	365.341	2.232	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	ZINC000739520935	601936820	/nfs/dbraw/zinc/93/68/20/601936820.db2.gz	IJYPLMYSVCVQDF-SJORKVTESA-N	-1	0	363.458	2.306	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)[O-])CC3)ccc21	ZINC000737825793	602295438	/nfs/dbraw/zinc/29/54/38/602295438.db2.gz	FITSTYZKFYNXLV-UHFFFAOYSA-N	-1	0	359.426	2.340	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739138441	602822644	/nfs/dbraw/zinc/82/26/44/602822644.db2.gz	JGZCYVPECDOMMO-RHSMWYFYSA-N	-1	0	360.458	2.474	20	10		FECDRM
CCCc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000826948323	603025168	/nfs/dbraw/zinc/02/51/68/603025168.db2.gz	AYQSDPJSZSEWDY-MRXNPFEDSA-N	-1	0	359.430	2.167	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])NC(=O)[O-])cc1	ZINC000828063206	603028876	/nfs/dbraw/zinc/02/88/76/603028876.db2.gz	BVTWHVGGPKBOPL-OAHLLOKOSA-N	-1	0	372.381	2.400	20	10		FECDRM
COc1cccc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000829550489	603033468	/nfs/dbraw/zinc/03/34/68/603033468.db2.gz	NJQJAYFZSYBDTJ-GOSISDBHSA-N	-1	0	371.437	2.429	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000739907319	603151870	/nfs/dbraw/zinc/15/18/70/603151870.db2.gz	AMFSTBFBBIUQJQ-GJZGRUSLSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000828205569	603815991	/nfs/dbraw/zinc/81/59/91/603815991.db2.gz	DPODPSWKNRKFES-QGZVFWFLSA-N	-1	0	358.442	2.347	20	10		FECDRM
CC(C)c1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)nn1C	ZINC000824458011	603949304	/nfs/dbraw/zinc/94/93/04/603949304.db2.gz	AFYVMNPVKRLMTC-MRXNPFEDSA-N	-1	0	373.457	2.348	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1F	ZINC000828067008	604031160	/nfs/dbraw/zinc/03/11/60/604031160.db2.gz	CJIHURPSWWPXPC-UHFFFAOYSA-N	-1	0	352.410	2.176	20	10		FECDRM
Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1	ZINC000811704397	674621559	/nfs/dbraw/zinc/62/15/59/674621559.db2.gz	FGELTJOOWWYYBB-UHFFFAOYSA-N	-1	0	351.428	2.404	20	10		FECDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1F	ZINC000026235981	670068249	/nfs/dbraw/zinc/06/82/49/670068249.db2.gz	IKSHPMTWIWKZIB-UHFFFAOYSA-N	-1	0	367.383	2.418	20	10		FECDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC	ZINC000817353938	675124192	/nfs/dbraw/zinc/12/41/92/675124192.db2.gz	XVTWPCLKSKJUQE-JTQLQIEISA-N	-1	0	363.407	2.121	20	10		FECDRM
C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)NCc1ccco1	ZINC000111399225	670858461	/nfs/dbraw/zinc/85/84/61/670858461.db2.gz	KVILZNGVGSKKCK-SECBINFHSA-N	-1	0	353.762	2.341	20	10		FECDRM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2ccnn2C)n1	ZINC000727249646	673162857	/nfs/dbraw/zinc/16/28/57/673162857.db2.gz	AQLKPLGJJMPOKH-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000732525820	673370620	/nfs/dbraw/zinc/37/06/20/673370620.db2.gz	QTYHSIPJXQVKRQ-UHFFFAOYSA-N	-1	0	368.396	2.022	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1	ZINC000733720656	673435469	/nfs/dbraw/zinc/43/54/69/673435469.db2.gz	VAGCQFOAHZGXGX-OAHLLOKOSA-N	-1	0	366.414	2.082	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCN(c3ncc(F)cn3)CC2)c1[O-]	ZINC000761224993	680715591	/nfs/dbraw/zinc/71/55/91/680715591.db2.gz	DTKMDMNSHTWEMJ-UHFFFAOYSA-N	-1	0	367.768	2.205	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cn1	ZINC000761998988	680736968	/nfs/dbraw/zinc/73/69/68/680736968.db2.gz	FJYNMHPSAAWGSA-UHFFFAOYSA-N	-1	0	366.395	2.162	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000766047388	680864208	/nfs/dbraw/zinc/86/42/08/680864208.db2.gz	HCAGIODFPNWQPY-UHFFFAOYSA-N	-1	0	354.315	2.443	20	10		FECDRM
O=C(Nc1cn[nH]c1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000748023455	679920375	/nfs/dbraw/zinc/92/03/75/679920375.db2.gz	DUSIOZSEBGNVHI-UHFFFAOYSA-N	-1	0	364.408	2.230	20	10		FECDRM
COC[C@](C)(O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000836534107	680480989	/nfs/dbraw/zinc/48/09/89/680480989.db2.gz	PGVANTQKZKIFIY-CQSZACIVSA-N	-1	0	351.230	2.286	20	10		FECDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000766317914	680873817	/nfs/dbraw/zinc/87/38/17/680873817.db2.gz	MWLUHLGXSQLGGI-UHFFFAOYSA-N	-1	0	370.814	2.019	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C	ZINC000841677830	680906103	/nfs/dbraw/zinc/90/61/03/680906103.db2.gz	VSPGNBSHLUSPGH-NSHDSACASA-N	-1	0	351.428	2.433	20	10		FECDRM
O=C(Nc1cnoc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000769740112	680993276	/nfs/dbraw/zinc/99/32/76/680993276.db2.gz	CDEDBNOYKBLTPS-UHFFFAOYSA-N	-1	0	365.392	2.495	20	10		FECDRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000844886495	681089865	/nfs/dbraw/zinc/08/98/65/681089865.db2.gz	QUOXDZKSVCLLEE-UHFFFAOYSA-N	-1	0	372.443	2.438	20	10		FECDRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000844884654	681089877	/nfs/dbraw/zinc/08/98/77/681089877.db2.gz	JTBKOJJPTINAQA-UHFFFAOYSA-N	-1	0	354.453	2.299	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCS(=O)(=O)C1	ZINC000846158914	681191531	/nfs/dbraw/zinc/19/15/31/681191531.db2.gz	ALEZOAKNYSOOKP-MRVPVSSYSA-N	-1	0	352.239	2.140	20	10		FECDRM
CN(C[C@@H](O)COCc1cccs1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279970	681218501	/nfs/dbraw/zinc/21/85/01/681218501.db2.gz	RKMYOPCHVQMVDL-CQSZACIVSA-N	-1	0	351.424	2.225	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000846709966	681278049	/nfs/dbraw/zinc/27/80/49/681278049.db2.gz	ZHFLQNWBXOAAEF-MNOVXSKESA-N	-1	0	369.801	2.048	20	10		FECDRM
CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286350	681292548	/nfs/dbraw/zinc/29/25/48/681292548.db2.gz	PZSRHIDFZUGQIN-UHFFFAOYSA-N	-1	0	365.367	2.084	20	10		FECDRM
Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2cccc3nonc32)cc1	ZINC000776651890	681422362	/nfs/dbraw/zinc/42/23/62/681422362.db2.gz	IVLXKGLNKXJRIX-UHFFFAOYSA-N	-1	0	361.379	2.201	20	10		FECDRM
CO[C@H](CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1)C1CCCCC1	ZINC000849307991	681682542	/nfs/dbraw/zinc/68/25/42/681682542.db2.gz	KZRCRYZBCWSUDC-OAHLLOKOSA-N	-1	0	357.428	2.427	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000790411386	682674925	/nfs/dbraw/zinc/67/49/25/682674925.db2.gz	LBWXNKLUBNKEFA-UHFFFAOYSA-N	-1	0	350.352	2.439	20	10		FECDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(OC)cc1O	ZINC000794383434	682963792	/nfs/dbraw/zinc/96/37/92/682963792.db2.gz	NMBROCYDOJQHON-UHFFFAOYSA-N	-1	0	364.423	2.092	20	10		FECDRM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000794873997	683000810	/nfs/dbraw/zinc/00/08/10/683000810.db2.gz	VZSNQCACMMQCLK-UHFFFAOYSA-N	-1	0	366.351	2.312	20	10		FECDRM
CO[C@@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)C(F)(F)F	ZINC000911359786	685202409	/nfs/dbraw/zinc/20/24/09/685202409.db2.gz	GFPAMIDJTGMMFY-NSHDSACASA-N	-1	0	369.723	2.426	20	10		FECDRM
[O-]c1c(F)cc(Cl)cc1CN1CCN(CCc2cnccn2)CC1	ZINC000877703988	686441200	/nfs/dbraw/zinc/44/12/00/686441200.db2.gz	VAAWNNVHBJPILM-UHFFFAOYSA-N	-1	0	350.825	2.335	20	10		FECDRM
Cn1cnc(-c2nnc3n2CCN(Cc2c([O-])ccc(Cl)c2F)C3)c1	ZINC000877739181	686447042	/nfs/dbraw/zinc/44/70/42/686447042.db2.gz	BMYDVGJFBGXNKP-UHFFFAOYSA-N	-1	0	362.796	2.193	20	10		FECDRM
O=S1(=O)C[C@H]2CCN(Cc3cccc(Br)c3[O-])C[C@H]2C1	ZINC000877789537	686460879	/nfs/dbraw/zinc/46/08/79/686460879.db2.gz	BSRTYVIYZWIJEX-NEPJUHHUSA-N	-1	0	360.273	2.021	20	10		FECDRM
O=C1N[C@@H](c2cc(Cl)cc(Br)c2[O-])N2CCSC[C@H]12	ZINC000887329338	688406936	/nfs/dbraw/zinc/40/69/36/688406936.db2.gz	FFUDTRWINGVOSL-MWLCHTKSSA-N	-1	0	363.664	2.354	20	10		FECDRM
COc1nn(C)cc1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000898550011	690206865	/nfs/dbraw/zinc/20/68/65/690206865.db2.gz	QIKIVAVYILZJMG-UHFFFAOYSA-N	-1	0	359.213	2.441	20	10		FECDRM
C[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(N2CCOCC2)cc1	ZINC000780478275	939127363	/nfs/dbraw/zinc/12/73/63/939127363.db2.gz	MZRGWYRRODPBAU-AWEZNQCLSA-N	-1	0	361.442	2.281	20	10		FECDRM
COc1ccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(O)c1	ZINC000800939720	674092099	/nfs/dbraw/zinc/09/20/99/674092099.db2.gz	QZKTYIRSASROJU-UHFFFAOYSA-N	-1	0	365.304	2.436	20	10		FECDRM
C[C@@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1	ZINC000805134464	674321862	/nfs/dbraw/zinc/32/18/62/674321862.db2.gz	AFARBGBEHADSAK-DTORHVGOSA-N	-1	0	369.270	2.143	20	10		FECDRM
O=C(NCc1ccc(N2CCOCC2)cc1)c1s[n-]c(=O)c1Cl	ZINC000283022002	551298825	/nfs/dbraw/zinc/29/88/25/551298825.db2.gz	MDUOFOOFQGVPRR-UHFFFAOYSA-N	-1	0	353.831	2.269	20	10		FECDRM
O=S1(=O)CCCN1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000375927403	558100956	/nfs/dbraw/zinc/10/09/56/558100956.db2.gz	LQZOSDHAJHWHTI-LLVKDONJSA-N	-1	0	362.854	2.185	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000408382518	558672639	/nfs/dbraw/zinc/67/26/39/558672639.db2.gz	DDPGHNDUOXXFRA-GFCCVEGCSA-N	-1	0	354.453	2.004	20	10		FECDRM
COCc1ccccc1CS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000806632029	674384267	/nfs/dbraw/zinc/38/42/67/674384267.db2.gz	CFLJRCIMUKUULS-UHFFFAOYSA-N	-1	0	351.380	2.179	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000818113948	596991552	/nfs/dbraw/zinc/99/15/52/596991552.db2.gz	UFSDYPOWSMBMRZ-CHWSQXEVSA-N	-1	0	367.421	2.055	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000820602152	598135235	/nfs/dbraw/zinc/13/52/35/598135235.db2.gz	JNTULEXUMYPBRP-UHFFFAOYSA-N	-1	0	354.406	2.494	20	10		FECDRM
COC(=O)c1cncc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000808114412	674442027	/nfs/dbraw/zinc/44/20/27/674442027.db2.gz	XAOXOAVPLCLMQP-UHFFFAOYSA-N	-1	0	360.750	2.167	20	10		FECDRM
Cc1ccnc(NC(=O)CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000738791891	599800037	/nfs/dbraw/zinc/80/00/37/599800037.db2.gz	GQPADNGCTRJCLJ-GQCTYLIASA-N	-1	0	370.365	2.471	20	10		FECDRM
Cc1cc(CCNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1	ZINC000738229200	600033616	/nfs/dbraw/zinc/03/36/16/600033616.db2.gz	ASJXOKRBDSNOPK-GOSISDBHSA-N	-1	0	371.437	2.132	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000738401826	600202652	/nfs/dbraw/zinc/20/26/52/600202652.db2.gz	JFDFWPPFBOEQIN-UHFFFAOYSA-N	-1	0	369.421	2.323	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000737596849	600282881	/nfs/dbraw/zinc/28/28/81/600282881.db2.gz	HPOXMEPSLKMOOH-DXTPNHAXSA-N	-1	0	360.366	2.472	20	10		FECDRM
COC(=O)[C@@H]1CC12CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737579363	600282892	/nfs/dbraw/zinc/28/28/92/600282892.db2.gz	RWMZPIHTEOTUQU-DXTPNHAXSA-N	-1	0	360.366	2.472	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000737596852	600282904	/nfs/dbraw/zinc/28/29/04/600282904.db2.gz	HPOXMEPSLKMOOH-HSBHDXMMSA-N	-1	0	360.366	2.472	20	10		FECDRM
NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2)CC1	ZINC000739161600	600551553	/nfs/dbraw/zinc/55/15/53/600551553.db2.gz	WRBRUBZNJQIFIC-UHFFFAOYSA-N	-1	0	367.405	2.339	20	10		FECDRM
CCOc1ccc(N(C)CCCN2C(=O)CS/C2=C\C(=O)[O-])cc1	ZINC000737203292	600574304	/nfs/dbraw/zinc/57/43/04/600574304.db2.gz	KTLGLXNQIIBUMI-WJDWOHSUSA-N	-1	0	350.440	2.413	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000830643808	600988247	/nfs/dbraw/zinc/98/82/47/600988247.db2.gz	MHUQTXOSVQPWOG-UHFFFAOYSA-N	-1	0	368.436	2.100	20	10		FECDRM
Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])c(C)n1-c1cc(C)cc(C)c1	ZINC000832874329	601470000	/nfs/dbraw/zinc/47/00/00/601470000.db2.gz	GLJOTXHBBGCWSQ-UHFFFAOYSA-N	-1	0	358.394	2.069	20	10		FECDRM
CN(Cc1ccc(C(=O)[O-])cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2	ZINC000830819369	601844506	/nfs/dbraw/zinc/84/45/06/601844506.db2.gz	GXFOLALTENKILV-UHFFFAOYSA-N	-1	0	357.322	2.260	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)CC2)cc1	ZINC000832383895	602066521	/nfs/dbraw/zinc/06/65/21/602066521.db2.gz	PSDDRZABPDOSAH-LJQANCHMSA-N	-1	0	361.442	2.170	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)CC2)cc1	ZINC000832383893	602066921	/nfs/dbraw/zinc/06/69/21/602066921.db2.gz	PSDDRZABPDOSAH-IBGZPJMESA-N	-1	0	361.442	2.170	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1	ZINC000738098941	602255038	/nfs/dbraw/zinc/25/50/38/602255038.db2.gz	VAENVRMQRPXVJS-CQSZACIVSA-N	-1	0	361.442	2.170	20	10		FECDRM
C[C@H](NC(=O)[O-])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000738994464	602255218	/nfs/dbraw/zinc/25/52/18/602255218.db2.gz	JXFXBMKVHOULKA-JTQLQIEISA-N	-1	0	357.357	2.029	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@H]3CCCCN3C(=O)[O-])CC2)cc1	ZINC000739911041	602503813	/nfs/dbraw/zinc/50/38/13/602503813.db2.gz	VQIXHBNBDKUALO-QGZVFWFLSA-N	-1	0	361.442	2.266	20	10		FECDRM
C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)NC(=O)[O-]	ZINC000824563957	602772947	/nfs/dbraw/zinc/77/29/47/602772947.db2.gz	FMCLEQKLAZJMHX-PBHICJAKSA-N	-1	0	363.458	2.306	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1NC(=O)[O-]	ZINC000739141593	602936395	/nfs/dbraw/zinc/93/63/95/602936395.db2.gz	PUFHPNVLHRSWBL-BBRMVZONSA-N	-1	0	360.458	2.257	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CCc2cscn2)NC(=O)[O-])cc1	ZINC000828063201	603030738	/nfs/dbraw/zinc/03/07/38/603030738.db2.gz	BRKBYGTZSHDDBX-HNNXBMFYSA-N	-1	0	362.455	2.267	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCN(C(=O)[O-])C1	ZINC000739762521	603344482	/nfs/dbraw/zinc/34/44/82/603344482.db2.gz	QMTJBKKUAYIQJL-LLVKDONJSA-N	-1	0	356.806	2.021	20	10		FECDRM
C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825109204	603415643	/nfs/dbraw/zinc/41/56/43/603415643.db2.gz	SNWPLIQPGRSIAL-RHSMWYFYSA-N	-1	0	361.442	2.233	20	10		FECDRM
O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000832240716	603585820	/nfs/dbraw/zinc/58/58/20/603585820.db2.gz	YCDZZDPYEXYQKA-BMFZPTHFSA-N	-1	0	362.426	2.336	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])cc1F	ZINC000828205275	604079854	/nfs/dbraw/zinc/07/98/54/604079854.db2.gz	AVEACLGPNIXSMV-CYBMUJFWSA-N	-1	0	352.410	2.176	20	10		FECDRM
O=C([O-])C[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000833210478	604495212	/nfs/dbraw/zinc/49/52/12/604495212.db2.gz	SHUVDCRROKLDDQ-MRXNPFEDSA-N	-1	0	363.483	2.389	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cc1F	ZINC000827052081	604853944	/nfs/dbraw/zinc/85/39/44/604853944.db2.gz	MMGKHJTXEYXONP-CQSZACIVSA-N	-1	0	367.421	2.057	20	10		FECDRM
CC(C)n1nccc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000824534655	604963603	/nfs/dbraw/zinc/96/36/03/604963603.db2.gz	OCBRLCXIJITBRW-OAHLLOKOSA-N	-1	0	359.430	2.269	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1	ZINC000833733625	605033619	/nfs/dbraw/zinc/03/36/19/605033619.db2.gz	LRMUPTJGDFWNTI-VIFPVBQESA-N	-1	0	369.370	2.278	20	10		FECDRM
O=C([O-])NCCc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1	ZINC000834245144	605696468	/nfs/dbraw/zinc/69/64/68/605696468.db2.gz	NCRCQKSWGJGRLJ-SOFGYWHQSA-N	-1	0	356.378	2.238	20	10		FECDRM
COc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])c1O	ZINC000829560384	605876251	/nfs/dbraw/zinc/87/62/51/605876251.db2.gz	QTNZDKSNWZRNQY-OAHLLOKOSA-N	-1	0	356.378	2.122	20	10		FECDRM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000014256246	670008040	/nfs/dbraw/zinc/00/80/40/670008040.db2.gz	CNVHZGQDMRLHJB-UHFFFAOYSA-N	-1	0	366.380	2.409	20	10		FECDRM
C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)NCc1ccco1	ZINC000111399224	670858559	/nfs/dbraw/zinc/85/85/59/670858559.db2.gz	KVILZNGVGSKKCK-VIFPVBQESA-N	-1	0	353.762	2.341	20	10		FECDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	ZINC000111994420	670865204	/nfs/dbraw/zinc/86/52/04/670865204.db2.gz	CKKKPEUDMSJHBB-UHFFFAOYSA-N	-1	0	370.858	2.454	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000115489851	670898192	/nfs/dbraw/zinc/89/81/92/670898192.db2.gz	SZBVWWHSAOFJOZ-UHFFFAOYSA-N	-1	0	361.467	2.363	20	10		FECDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1sccc1-n1c(C)ccc1C	ZINC000153678925	672202876	/nfs/dbraw/zinc/20/28/76/672202876.db2.gz	REUXHZIQFOSOSB-UHFFFAOYSA-N	-1	0	355.485	2.472	20	10		FECDRM
O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1cnn([C@H]2CCOC2)c1	ZINC000155937716	672240637	/nfs/dbraw/zinc/24/06/37/672240637.db2.gz	HXHBPXNLEHWDDY-JTQLQIEISA-N	-1	0	366.424	2.362	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3csc(C(=O)[O-])c3)ccc21	ZINC000184969499	672514633	/nfs/dbraw/zinc/51/46/33/672514633.db2.gz	NWRQVJOHPUCQHT-UHFFFAOYSA-N	-1	0	366.464	2.307	20	10		FECDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000237081241	672806419	/nfs/dbraw/zinc/80/64/19/672806419.db2.gz	KOVIQGYOOOIDDN-UHFFFAOYSA-N	-1	0	352.412	2.173	20	10		FECDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	ZINC000744241684	673788556	/nfs/dbraw/zinc/78/85/56/673788556.db2.gz	JGQRLQSVOOYJEI-UHFFFAOYSA-N	-1	0	365.455	2.029	20	10		FECDRM
NC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Cl	ZINC000821145145	675418389	/nfs/dbraw/zinc/41/83/89/675418389.db2.gz	RUPLMYDATSCSST-UHFFFAOYSA-N	-1	0	362.741	2.224	20	10		FECDRM
CCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821156975	675418547	/nfs/dbraw/zinc/41/85/47/675418547.db2.gz	CHWYAIHVINWXBI-UHFFFAOYSA-N	-1	0	356.350	2.221	20	10		FECDRM
COc1c(O)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000825124681	675637777	/nfs/dbraw/zinc/63/77/77/675637777.db2.gz	WAFBPIBWTWOIIQ-TVQRCGJNSA-N	-1	0	350.293	2.054	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)ccc1O	ZINC000830018850	677021853	/nfs/dbraw/zinc/02/18/53/677021853.db2.gz	YINITDYEQXHVEM-UHFFFAOYSA-N	-1	0	367.427	2.222	20	10		FECDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cc1C(N)=O	ZINC000762000219	680737055	/nfs/dbraw/zinc/73/70/55/680737055.db2.gz	JKYITKVSZUCHIH-UHFFFAOYSA-N	-1	0	364.423	2.388	20	10		FECDRM
COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765105369	680831277	/nfs/dbraw/zinc/83/12/77/680831277.db2.gz	LBFXFJUVDQMQEJ-UHFFFAOYSA-N	-1	0	365.367	2.049	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000840916056	680852881	/nfs/dbraw/zinc/85/28/81/680852881.db2.gz	WHKXAEQXASFNJE-UHFFFAOYSA-N	-1	0	355.368	2.027	20	10		FECDRM
CCOC(=O)COCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000836578795	680485394	/nfs/dbraw/zinc/48/53/94/680485394.db2.gz	YPXGVZDQPAVMRO-UHFFFAOYSA-N	-1	0	365.213	2.078	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1	ZINC000844213792	681045025	/nfs/dbraw/zinc/04/50/25/681045025.db2.gz	MFUQIKORMVAWPG-HYXAFXHYSA-N	-1	0	355.341	2.470	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000775286564	681292367	/nfs/dbraw/zinc/29/23/67/681292367.db2.gz	XIXQMQVRENYPKP-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(OC)c1	ZINC000775287250	681292559	/nfs/dbraw/zinc/29/25/59/681292559.db2.gz	XAPCKBSNJKJBHJ-UHFFFAOYSA-N	-1	0	372.786	2.037	20	10		FECDRM
Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1cccc2nonc21	ZINC000776650592	681422359	/nfs/dbraw/zinc/42/23/59/681422359.db2.gz	YSDKKFHZMRDYOH-UHFFFAOYSA-N	-1	0	361.379	2.201	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2CCN(C(=O)N(C)C)CC2(C)C)c1O	ZINC000777739279	681525041	/nfs/dbraw/zinc/52/50/41/681525041.db2.gz	OKNPGBIBNURWHS-UHFFFAOYSA-N	-1	0	351.422	2.312	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(O[C@H]3CCOC3)cc2)SC1=S	ZINC000849177140	681663783	/nfs/dbraw/zinc/66/37/83/681663783.db2.gz	ZPXMWIIRSYTNPE-ALFJJAPYSA-N	-1	0	365.432	2.140	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000779460525	681718025	/nfs/dbraw/zinc/71/80/25/681718025.db2.gz	QYZGAEKRSMAUCV-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(F)c2[O-])no1	ZINC000779616315	681730556	/nfs/dbraw/zinc/73/05/56/681730556.db2.gz	PRIYGJAFVNZBJO-LBPRGKRZSA-N	-1	0	357.769	2.288	20	10		FECDRM
COC(=O)N(C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000852656989	682314086	/nfs/dbraw/zinc/31/40/86/682314086.db2.gz	AIKISUBOAUOTBH-UHFFFAOYSA-N	-1	0	350.202	2.196	20	10		FECDRM
CCn1nccc1CN(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000793307398	682879625	/nfs/dbraw/zinc/87/96/25/682879625.db2.gz	NODIZUMRAUDRKK-UHFFFAOYSA-N	-1	0	354.794	2.165	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)ccc1O	ZINC000797820130	683276570	/nfs/dbraw/zinc/27/65/70/683276570.db2.gz	HSGWVIKSTSIZOX-UHFFFAOYSA-N	-1	0	355.343	2.347	20	10		FECDRM
C[S@@](=O)(=NS(=O)(=O)[N-]Cc1c(O)cccc1F)C1CCCCC1	ZINC000921450549	683471838	/nfs/dbraw/zinc/47/18/38/683471838.db2.gz	AOQKPBBQGHXGKG-QFIPXVFZSA-N	-1	0	364.464	2.296	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C	ZINC000863411498	683719112	/nfs/dbraw/zinc/71/91/12/683719112.db2.gz	ZKPPWAURIOPFGH-UHFFFAOYSA-N	-1	0	365.333	2.092	20	10		FECDRM
CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000911226431	685185389	/nfs/dbraw/zinc/18/53/89/685185389.db2.gz	HHPCEJUPIPGIRI-SCRDCRAPSA-N	-1	0	352.406	2.166	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC000911359556	685202634	/nfs/dbraw/zinc/20/26/34/685202634.db2.gz	AHYPMBKXNFYQRC-CJNGLKHVSA-N	-1	0	353.802	2.274	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/C1CCOCC1	ZINC000911360407	685203136	/nfs/dbraw/zinc/20/31/36/685203136.db2.gz	RVSRJDVXDOAISZ-DAFODLJHSA-N	-1	0	353.802	2.442	20	10		FECDRM
CCc1nn(C)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000882198363	687322741	/nfs/dbraw/zinc/32/27/41/687322741.db2.gz	UJGMVBBHLVWUGG-UHFFFAOYSA-N	-1	0	364.254	2.473	20	10		FECDRM
COc1cc(C)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1OC	ZINC000887275938	688397690	/nfs/dbraw/zinc/39/76/90/688397690.db2.gz	UTLJCCNMMQDXRH-IZZDOVSWSA-N	-1	0	353.421	2.298	20	10		FECDRM
CN1C(=O)NCC12CC[NH+](Cc1cc(Br)cc(F)c1[O-])CC2	ZINC000895056739	689649592	/nfs/dbraw/zinc/64/95/92/689649592.db2.gz	AMSDEPPTQCSYCG-UHFFFAOYSA-N	-1	0	372.238	2.283	20	10		FECDRM
Cn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(F)c2[O-])cn1	ZINC000895378221	689706295	/nfs/dbraw/zinc/70/62/95/689706295.db2.gz	IAGYQARWDYZRDR-LFVRLGFBSA-N	-1	0	357.838	2.224	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1nnn[n-]1	ZINC000820886737	675397049	/nfs/dbraw/zinc/39/70/49/675397049.db2.gz	TXGPOZIOVOPRRR-UHFFFAOYSA-N	-1	0	368.235	2.039	20	10		FECDRM
C[C@@H]1C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000080023669	542559144	/nfs/dbraw/zinc/55/91/44/542559144.db2.gz	UQZRDPKPLVLISL-BXKDBHETSA-N	-1	0	352.437	2.393	20	10		FECDRM
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CN(C)CCO1	ZINC000805221182	674326291	/nfs/dbraw/zinc/32/62/91/674326291.db2.gz	GLFSVPRBDPDRSB-NOZJJQNGSA-N	-1	0	362.257	2.217	20	10		FECDRM
CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000181554330	547334011	/nfs/dbraw/zinc/33/40/11/547334011.db2.gz	TXDYTSYCXWEJOZ-NSHDSACASA-N	-1	0	353.271	2.213	20	10		FECDRM
COC(=O)[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1	ZINC000279791326	550929316	/nfs/dbraw/zinc/92/93/16/550929316.db2.gz	VQZRUJDNNXTWCQ-GXSJLCMTSA-N	-1	0	371.231	2.296	20	10		FECDRM
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2	ZINC000281884667	551153110	/nfs/dbraw/zinc/15/31/10/551153110.db2.gz	OJJKPYPOYOCACR-HMPIKURDSA-N	-1	0	370.449	2.250	20	10		FECDRM
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1(=O)=O	ZINC000289692464	552363045	/nfs/dbraw/zinc/36/30/45/552363045.db2.gz	FOQYUYGQDWVTQX-CABZTGNLSA-N	-1	0	362.835	2.351	20	10		FECDRM
CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cccc(Cl)c2[O-])cn1	ZINC000290297824	552456155	/nfs/dbraw/zinc/45/61/55/552456155.db2.gz	AZEPZPJNTICVRM-HNNXBMFYSA-N	-1	0	369.874	2.234	20	10		FECDRM
O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)CN1	ZINC000532932842	562492919	/nfs/dbraw/zinc/49/29/19/562492919.db2.gz	QFBNGVOGUYOGLP-NSHDSACASA-N	-1	0	374.447	2.096	20	10		FECDRM
CC(=O)NCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H](C)C(=O)[O-]	ZINC000819752754	597692368	/nfs/dbraw/zinc/69/23/68/597692368.db2.gz	FFTNQMZKSYZLIV-OAHLLOKOSA-N	-1	0	371.437	2.146	20	10		FECDRM
O=C([O-])CCCCNC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000821518981	598166393	/nfs/dbraw/zinc/16/63/93/598166393.db2.gz	ZXBBOROEGKMRQW-UHFFFAOYSA-N	-1	0	351.472	2.294	20	10		FECDRM
CC(C)(C)NS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835468	674431050	/nfs/dbraw/zinc/43/10/50/674431050.db2.gz	FXVZSIMCYVWRPN-UHFFFAOYSA-N	-1	0	369.270	2.033	20	10		FECDRM
COC(=O)[C@@H]1CC12CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737579368	600283145	/nfs/dbraw/zinc/28/31/45/600283145.db2.gz	RWMZPIHTEOTUQU-LQPUYASZSA-N	-1	0	360.366	2.472	20	10		FECDRM
COc1ccc(N2CCCN(Cc3noc(CCCC(=O)[O-])n3)CC2)cc1	ZINC000738020467	600291723	/nfs/dbraw/zinc/29/17/23/600291723.db2.gz	FHXMJLUGPCVGSA-UHFFFAOYSA-N	-1	0	374.441	2.198	20	10		FECDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000833184067	600897361	/nfs/dbraw/zinc/89/73/61/600897361.db2.gz	NDGDJKNMOVLWPJ-HUUCEWRRSA-N	-1	0	364.417	2.170	20	10		FECDRM
Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c(C)n1-c1ccccn1	ZINC000832864237	600905161	/nfs/dbraw/zinc/90/51/61/600905161.db2.gz	WODSTSKMQFMQER-QGZVFWFLSA-N	-1	0	350.378	2.440	20	10		FECDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000833179269	600920888	/nfs/dbraw/zinc/92/08/88/600920888.db2.gz	OBMFSJHZCOQMKA-ZLKJLUDKSA-N	-1	0	354.353	2.094	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000832860051	601562474	/nfs/dbraw/zinc/56/24/74/601562474.db2.gz	YEBQEQKAGSJQFN-KRWDZBQOSA-N	-1	0	360.385	2.201	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(C)n1-c1cccc(F)c1	ZINC000832859942	601596087	/nfs/dbraw/zinc/59/60/87/601596087.db2.gz	WLIZJLKCMHHKEZ-KRWDZBQOSA-N	-1	0	360.385	2.201	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F	ZINC000829687048	601774347	/nfs/dbraw/zinc/77/43/47/601774347.db2.gz	DPBNJACSYUMQQD-AWEZNQCLSA-N	-1	0	367.421	2.057	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739758837	602433955	/nfs/dbraw/zinc/43/39/55/602433955.db2.gz	HKAQLYZRNNHEHO-AGLBCWCQSA-N	-1	0	363.370	2.217	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739141061	602838468	/nfs/dbraw/zinc/83/84/68/602838468.db2.gz	NKQWUUNFBSFDAQ-PBHICJAKSA-N	-1	0	358.442	2.250	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2COc3ccccc32)NC(=O)[O-])cc1	ZINC000828054973	603025174	/nfs/dbraw/zinc/02/51/74/603025174.db2.gz	ATTPBHFATBPVOI-DLBZAZTESA-N	-1	0	369.421	2.354	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)NC(=O)[O-])cc1	ZINC000828064641	603029511	/nfs/dbraw/zinc/02/95/11/603029511.db2.gz	VHWIKEQXFYJWAK-QGZVFWFLSA-N	-1	0	357.410	2.257	20	10		FECDRM
CC(C)(NC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000824020411	603070257	/nfs/dbraw/zinc/07/02/57/603070257.db2.gz	MQMLUXOEGGPOTN-LLVKDONJSA-N	-1	0	371.384	2.419	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829423131	603552661	/nfs/dbraw/zinc/55/26/61/603552661.db2.gz	BJHMTZGQDYBAND-HIFRSBDPSA-N	-1	0	361.442	2.217	20	10		FECDRM
O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000832474224	603817584	/nfs/dbraw/zinc/81/75/84/603817584.db2.gz	HAJSSWCLBBCKQF-RDJZCZTQSA-N	-1	0	358.442	2.298	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000833733874	605033995	/nfs/dbraw/zinc/03/39/95/605033995.db2.gz	ULEIPAMCWGCJFZ-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
O=C(C[C@H]1CSCCN1C(=O)[O-])NCCCSc1nccs1	ZINC000831407630	605311769	/nfs/dbraw/zinc/31/17/69/605311769.db2.gz	HTWZQDIBVFVKSB-JTQLQIEISA-N	-1	0	361.514	2.227	20	10		FECDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCCCSc1nccs1	ZINC000825825363	605412377	/nfs/dbraw/zinc/41/23/77/605412377.db2.gz	ZPQQXJJLCDTUMU-MNOVXSKESA-N	-1	0	358.489	2.455	20	10		FECDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCCCSc1nccs1	ZINC000825825365	605412386	/nfs/dbraw/zinc/41/23/86/605412386.db2.gz	ZPQQXJJLCDTUMU-WDEREUQCSA-N	-1	0	358.489	2.455	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])c1	ZINC000833733491	605912643	/nfs/dbraw/zinc/91/26/43/605912643.db2.gz	IRQTZTDLHCHHLE-NSHDSACASA-N	-1	0	372.377	2.223	20	10		FECDRM
CN(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccnc2)cc1	ZINC000135880490	672135991	/nfs/dbraw/zinc/13/59/91/672135991.db2.gz	ZESLLTQNBQZMKR-UHFFFAOYSA-N	-1	0	357.439	2.193	20	10		FECDRM
CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000161745329	672299736	/nfs/dbraw/zinc/29/97/36/672299736.db2.gz	PFUKIJOFJVIBBZ-UHFFFAOYSA-N	-1	0	360.395	2.162	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000184884471	672510220	/nfs/dbraw/zinc/51/02/20/672510220.db2.gz	VYMAURZTGDPFQZ-UHFFFAOYSA-N	-1	0	366.414	2.411	20	10		FECDRM
COc1cccc(O)c1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000221045484	672791482	/nfs/dbraw/zinc/79/14/82/672791482.db2.gz	BDBUQZCAAKSDJN-XYOKQWHBSA-N	-1	0	353.421	2.467	20	10		FECDRM
Cc1oc(C)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1C(=O)[O-]	ZINC000237080992	672806613	/nfs/dbraw/zinc/80/66/13/672806613.db2.gz	GEKUHEOLVORHDT-UHFFFAOYSA-N	-1	0	366.439	2.481	20	10		FECDRM
N#Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000322107006	673041350	/nfs/dbraw/zinc/04/13/50/673041350.db2.gz	FIGICTDGYYJYPR-UHFFFAOYSA-N	-1	0	352.755	2.416	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1	ZINC000747607594	679892385	/nfs/dbraw/zinc/89/23/85/679892385.db2.gz	UWVRXHNRTBSUBW-UHFFFAOYSA-N	-1	0	372.472	2.096	20	10		FECDRM
Cn1ncc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000836474469	680474465	/nfs/dbraw/zinc/47/44/65/680474465.db2.gz	BWSXEYWBCQQFBW-UHFFFAOYSA-N	-1	0	358.229	2.260	20	10		FECDRM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2F)s1	ZINC000758169333	680559116	/nfs/dbraw/zinc/55/91/16/680559116.db2.gz	OVSSGMJFIOUPOT-UHFFFAOYSA-N	-1	0	361.372	2.189	20	10		FECDRM
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000758773123	680606648	/nfs/dbraw/zinc/60/66/48/680606648.db2.gz	HXWWFBIAZYGILY-UHFFFAOYSA-N	-1	0	353.327	2.233	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)ccc1F	ZINC000766048822	680864482	/nfs/dbraw/zinc/86/44/82/680864482.db2.gz	WMYCWBCHQZEEKD-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
O=C([O-])CCCN1C(=O)/C(=C\c2ccnn2CC2CC2)SC1=S	ZINC000849176605	681663712	/nfs/dbraw/zinc/66/37/12/681663712.db2.gz	RFUKZOMXHCKKBR-XYOKQWHBSA-N	-1	0	351.453	2.359	20	10		FECDRM
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000914562913	685508425	/nfs/dbraw/zinc/50/84/25/685508425.db2.gz	RLGGWESDIGJBHJ-UHFFFAOYSA-N	-1	0	361.828	2.250	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2nc(C)cs2)cc1	ZINC000853003589	682362779	/nfs/dbraw/zinc/36/27/79/682362779.db2.gz	AFBJXWHOBRUKKR-GFCCVEGCSA-N	-1	0	363.439	2.229	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCc3sccc3C2)cc1	ZINC000853004294	682362963	/nfs/dbraw/zinc/36/29/63/682362963.db2.gz	BPWMEMGVXRYNLS-UHFFFAOYSA-N	-1	0	360.435	2.233	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H]2CCCC2(F)F)cc1	ZINC000853010918	682363309	/nfs/dbraw/zinc/36/33/09/682363309.db2.gz	QNXXQHUDGDJBBP-LBPRGKRZSA-N	-1	0	356.369	2.138	20	10		FECDRM
COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)s1	ZINC000788047398	682498826	/nfs/dbraw/zinc/49/88/26/682498826.db2.gz	LNLKMVVRJBAPGO-UHFFFAOYSA-N	-1	0	356.425	2.153	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1O	ZINC000797820261	683276367	/nfs/dbraw/zinc/27/63/67/683276367.db2.gz	NXGOOLOUMHXSSV-UHFFFAOYSA-N	-1	0	368.798	2.350	20	10		FECDRM
COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1	ZINC000866485839	684110459	/nfs/dbraw/zinc/11/04/59/684110459.db2.gz	YCWWHNNJDSFFEQ-UHFFFAOYSA-N	-1	0	364.423	2.145	20	10		FECDRM
C[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000872839622	685022908	/nfs/dbraw/zinc/02/29/08/685022908.db2.gz	BMIQSVLTULNOMQ-MCIONIFRSA-N	-1	0	366.483	2.295	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CSCCS1	ZINC000911360196	685203159	/nfs/dbraw/zinc/20/31/59/685203159.db2.gz	OJZGXMYHWQTSHH-GFCCVEGCSA-N	-1	0	361.872	2.307	20	10		FECDRM
O=S1(=O)C[C@@H]2CCN(Cc3cccc(Br)c3[O-])C[C@H]2C1	ZINC000877789540	686460809	/nfs/dbraw/zinc/46/08/09/686460809.db2.gz	BSRTYVIYZWIJEX-RYUDHWBXSA-N	-1	0	360.273	2.021	20	10		FECDRM
COc1nccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1F	ZINC000899341939	690339275	/nfs/dbraw/zinc/33/92/75/690339275.db2.gz	NEOWGMRZJMVWGL-VQHVLOKHSA-N	-1	0	356.400	2.295	20	10		FECDRM
CC1(C)CCC[C@@H](CS(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)O1	ZINC000901676539	690677508	/nfs/dbraw/zinc/67/75/08/690677508.db2.gz	COOWCZUWJZSKLC-JTQLQIEISA-N	-1	0	356.473	2.285	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc4c3OCO4)n2)cn1	ZINC000800925470	674089924	/nfs/dbraw/zinc/08/99/24/674089924.db2.gz	JUBGVTLYOBKMLV-UHFFFAOYSA-N	-1	0	364.408	2.073	20	10		FECDRM
O=S(=O)([N-]c1ccccc1Cn1cncn1)c1cccc2nsnc21	ZINC000055686712	540670982	/nfs/dbraw/zinc/67/09/82/540670982.db2.gz	OLHJITQJXHWSFQ-UHFFFAOYSA-N	-1	0	372.435	2.132	20	10		FECDRM
Cn1cc(N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)cn1	ZINC000126068873	543916527	/nfs/dbraw/zinc/91/65/27/543916527.db2.gz	KIKWLRCVESXHAT-UHFFFAOYSA-N	-1	0	351.794	2.010	20	10		FECDRM
COC(=O)CSCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805078051	674317394	/nfs/dbraw/zinc/31/73/94/674317394.db2.gz	IKHGMZBSXLATFV-UHFFFAOYSA-N	-1	0	367.254	2.404	20	10		FECDRM
O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc2c(c1)CCO2	ZINC000277136948	550635907	/nfs/dbraw/zinc/63/59/07/550635907.db2.gz	BVIZKHYYANNURG-LBPRGKRZSA-N	-1	0	355.316	2.080	20	10		FECDRM
CC(C)OCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1O	ZINC000290550431	552496642	/nfs/dbraw/zinc/49/66/42/552496642.db2.gz	QISCKTUZIBNBRV-UHFFFAOYSA-N	-1	0	354.384	2.144	20	10		FECDRM
COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C(=O)OC)C1	ZINC000293662602	552844861	/nfs/dbraw/zinc/84/48/61/552844861.db2.gz	PRHINPVUCFUPQZ-RNCFNFMXSA-N	-1	0	359.781	2.111	20	10		FECDRM
COCCN1C(=O)CCc2cc(NC(=O)c3c(F)ccc(O)c3[O-])ccc21	ZINC000295661189	553040922	/nfs/dbraw/zinc/04/09/22/553040922.db2.gz	FBIFJBZNWZOAPO-UHFFFAOYSA-N	-1	0	374.368	2.415	20	10		FECDRM
O=C(N=c1nc(-c2ccsc2)[n-]s1)NCCc1ccc(O)c(O)c1	ZINC000365559887	555608852	/nfs/dbraw/zinc/60/88/52/555608852.db2.gz	KVNNYEODCMVCDR-UHFFFAOYSA-N	-1	0	362.436	2.464	20	10		FECDRM
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000365680775	555639190	/nfs/dbraw/zinc/63/91/90/555639190.db2.gz	SANTYQUPGOGIKZ-MGPLVRAMSA-N	-1	0	362.407	2.016	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1	ZINC000371055816	557060286	/nfs/dbraw/zinc/06/02/86/557060286.db2.gz	PSHGGCPTURXVFQ-JQWIXIFHSA-N	-1	0	357.815	2.171	20	10		FECDRM
CCN1C(=O)[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN2C1=O	ZINC000378371237	558542266	/nfs/dbraw/zinc/54/22/66/558542266.db2.gz	ODXLLSIEPANXBC-LBPRGKRZSA-N	-1	0	358.225	2.167	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1	ZINC000739622878	599780281	/nfs/dbraw/zinc/78/02/81/599780281.db2.gz	CTXLSRUWXROWQE-XQRVVYSFSA-N	-1	0	359.382	2.284	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1C	ZINC000738319670	599968042	/nfs/dbraw/zinc/96/80/42/599968042.db2.gz	GZWXBRACXVQMDP-LJQANCHMSA-N	-1	0	356.422	2.371	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(F)c1	ZINC000738203233	599973512	/nfs/dbraw/zinc/97/35/12/599973512.db2.gz	JVPNREUTILIPDC-SFHVURJKSA-N	-1	0	360.385	2.201	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC000738041388	600128646	/nfs/dbraw/zinc/12/86/46/600128646.db2.gz	IZXKTPGCYNVJOV-LLVKDONJSA-N	-1	0	372.377	2.223	20	10		FECDRM
O=C([O-])CN(Cc1nnnn1-c1ccccc1)Cc1cc(Cl)ccc1O	ZINC000739793642	600145194	/nfs/dbraw/zinc/14/51/94/600145194.db2.gz	JIXVIYMDWKMSDT-UHFFFAOYSA-N	-1	0	373.800	2.108	20	10		FECDRM
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)NC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000736821981	600156520	/nfs/dbraw/zinc/15/65/20/600156520.db2.gz	BLMUKVGHGKQDQD-RYUDHWBXSA-N	-1	0	367.421	2.102	20	10		FECDRM
O=C([O-])C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	ZINC000739592325	600561015	/nfs/dbraw/zinc/56/10/15/600561015.db2.gz	LZNQAPMRPTUBDB-UHFFFAOYSA-N	-1	0	363.483	2.246	20	10		FECDRM
O=C([O-])CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819434571	600700098	/nfs/dbraw/zinc/70/00/98/600700098.db2.gz	ZWHZLPKOTVDCSR-LBPRGKRZSA-N	-1	0	371.384	2.421	20	10		FECDRM
C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000736646329	600743977	/nfs/dbraw/zinc/74/39/77/600743977.db2.gz	SZOQDAZJMORDFY-HOCLYGCPSA-N	-1	0	361.442	2.090	20	10		FECDRM
O=C([O-])N[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1	ZINC000740686771	601897938	/nfs/dbraw/zinc/89/79/38/601897938.db2.gz	GNWDHBDZNXGYHM-GOSISDBHSA-N	-1	0	369.421	2.148	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000739840974	602469905	/nfs/dbraw/zinc/46/99/05/602469905.db2.gz	VNSMSILKJKGHGS-OAHLLOKOSA-N	-1	0	359.426	2.387	20	10		FECDRM
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2)CC1	ZINC000739109868	602630151	/nfs/dbraw/zinc/63/01/51/602630151.db2.gz	SPLRQMRKAUSXOS-MRXNPFEDSA-N	-1	0	360.458	2.474	20	10		FECDRM
O=C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1CC(F)(F)F	ZINC000809711389	674506625	/nfs/dbraw/zinc/50/66/25/674506625.db2.gz	WGTKETSWIIKHNB-UHFFFAOYSA-N	-1	0	367.711	2.160	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000739924974	602722709	/nfs/dbraw/zinc/72/27/09/602722709.db2.gz	GBSQCCDHKMXHNZ-RYUDHWBXSA-N	-1	0	351.403	2.151	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000739924972	602722834	/nfs/dbraw/zinc/72/28/34/602722834.db2.gz	GBSQCCDHKMXHNZ-NEPJUHHUSA-N	-1	0	351.403	2.151	20	10		FECDRM
CC(C)(CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)NC(=O)[O-]	ZINC000738740835	602793092	/nfs/dbraw/zinc/79/30/92/602793092.db2.gz	PSEGVPMHYVKQSF-UHFFFAOYSA-N	-1	0	367.421	2.105	20	10		FECDRM
O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000740576957	603026626	/nfs/dbraw/zinc/02/66/26/603026626.db2.gz	ZZAFNSWKQADOLA-HOTGVXAUSA-N	-1	0	363.483	2.292	20	10		FECDRM
C[C@H](Oc1cccnc1)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825616242	603033712	/nfs/dbraw/zinc/03/37/12/603033712.db2.gz	AHCFYWVPWORFMU-GUYCJALGSA-N	-1	0	372.425	2.040	20	10		FECDRM
COCc1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)o1	ZINC000829040565	603034889	/nfs/dbraw/zinc/03/48/89/603034889.db2.gz	OSAQUQZGBPQQJL-HNNXBMFYSA-N	-1	0	361.398	2.231	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cccc3n[nH]cc32)NC(=O)[O-])cc1	ZINC000828064596	603034938	/nfs/dbraw/zinc/03/49/38/603034938.db2.gz	UFBIHWIMTRQEJB-KRWDZBQOSA-N	-1	0	367.409	2.368	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc3n[nH]cc3c2)NC(=O)[O-])cc1	ZINC000828063722	603951035	/nfs/dbraw/zinc/95/10/35/603951035.db2.gz	HUKAUJSCBBGGDK-KRWDZBQOSA-N	-1	0	367.409	2.368	20	10		FECDRM
CC(C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)NC(=O)[O-]	ZINC000823936395	604001769	/nfs/dbraw/zinc/00/17/69/604001769.db2.gz	DYKSYJGBQIPNND-UHFFFAOYSA-N	-1	0	366.487	2.085	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F	ZINC000828066986	604167103	/nfs/dbraw/zinc/16/71/03/604167103.db2.gz	BKPJORQLRKRRDK-KGLIPLIRSA-N	-1	0	364.421	2.318	20	10		FECDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000833419152	604871259	/nfs/dbraw/zinc/87/12/59/604871259.db2.gz	GHMCXFJZTWIVKS-SNVBAGLBSA-N	-1	0	363.370	2.253	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])c1	ZINC000832425348	604915237	/nfs/dbraw/zinc/91/52/37/604915237.db2.gz	VIZNKETWGRWINX-SNVBAGLBSA-N	-1	0	374.393	2.358	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000833733774	605034139	/nfs/dbraw/zinc/03/41/39/605034139.db2.gz	PMISOVLRJNGJTI-NSHDSACASA-N	-1	0	365.407	2.067	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000833733443	605205838	/nfs/dbraw/zinc/20/58/38/605205838.db2.gz	ILXCZMMMZQJMSI-SECBINFHSA-N	-1	0	369.370	2.278	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccsc2C(=O)[O-])cc1	ZINC000833695900	605451199	/nfs/dbraw/zinc/45/11/99/605451199.db2.gz	YJFQSOOZHJDGRV-UHFFFAOYSA-N	-1	0	361.423	2.109	20	10		FECDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000825823588	605554481	/nfs/dbraw/zinc/55/44/81/605554481.db2.gz	NSAGZDLHSHLPMA-GOEBONIOSA-N	-1	0	358.442	2.393	20	10		FECDRM
C[C@H](NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c1ccc(N2CCOCC2)cc1	ZINC000825454564	605667312	/nfs/dbraw/zinc/66/73/12/605667312.db2.gz	TWQWBPYTKYLGGN-XJKSGUPXSA-N	-1	0	363.458	2.383	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(c3ccccc3F)C2)c1	ZINC000812745796	674696318	/nfs/dbraw/zinc/69/63/18/674696318.db2.gz	HOXWUPBNOPLACJ-UHFFFAOYSA-N	-1	0	364.398	2.142	20	10		FECDRM
O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1cccc2nonc21	ZINC000014232468	670007612	/nfs/dbraw/zinc/00/76/12/670007612.db2.gz	YRKZCLMKSMWBIH-UHFFFAOYSA-N	-1	0	355.379	2.268	20	10		FECDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	ZINC000817859180	675182885	/nfs/dbraw/zinc/18/28/85/675182885.db2.gz	XMYXOQQJWIWQBA-WCQYABFASA-N	-1	0	359.451	2.499	20	10		FECDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000159716979	672284762	/nfs/dbraw/zinc/28/47/62/672284762.db2.gz	GGEYQWOWOUSKJV-UHFFFAOYSA-N	-1	0	361.404	2.431	20	10		FECDRM
CCc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000184885834	672509996	/nfs/dbraw/zinc/50/99/96/672509996.db2.gz	MDUHUDQWXYVNMJ-UHFFFAOYSA-N	-1	0	362.451	2.492	20	10		FECDRM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000327942949	673062333	/nfs/dbraw/zinc/06/23/33/673062333.db2.gz	ITJULUDJSOONDS-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
CON(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821172981	675419881	/nfs/dbraw/zinc/41/98/81/675419881.db2.gz	JUQPICZSUFDVAK-UHFFFAOYSA-N	-1	0	372.349	2.105	20	10		FECDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c([N+](=O)[O-])n1	ZINC000761994680	680737020	/nfs/dbraw/zinc/73/70/20/680737020.db2.gz	CINAVFOZQFNHPC-UHFFFAOYSA-N	-1	0	370.387	2.105	20	10		FECDRM
Cc1nc(C)c(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)s1	ZINC000757555039	680525736	/nfs/dbraw/zinc/52/57/36/680525736.db2.gz	BOQUWIRDRHLKCQ-UHFFFAOYSA-N	-1	0	355.470	2.418	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1OCC(=O)[O-]	ZINC000758170997	680559003	/nfs/dbraw/zinc/55/90/03/680559003.db2.gz	QLQVSHDPJYOUMD-UHFFFAOYSA-N	-1	0	355.343	2.104	20	10		FECDRM
COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cnc1Cl	ZINC000767472407	680913060	/nfs/dbraw/zinc/91/30/60/680913060.db2.gz	FZEOZOMTEOPAHI-UHFFFAOYSA-N	-1	0	356.787	2.453	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1F	ZINC000773251852	681133166	/nfs/dbraw/zinc/13/31/66/681133166.db2.gz	PTHMQTJZQBQLKG-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775287578	681292627	/nfs/dbraw/zinc/29/26/27/681292627.db2.gz	CVIXUIVHCZXZPD-UHFFFAOYSA-N	-1	0	353.312	2.318	20	10		FECDRM
CCN(Cc1ccccc1)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776432803	681391086	/nfs/dbraw/zinc/39/10/86/681391086.db2.gz	FRJLHANCJQTCPR-UHFFFAOYSA-N	-1	0	350.396	2.269	20	10		FECDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000777667851	681519643	/nfs/dbraw/zinc/51/96/43/681519643.db2.gz	TWCPTRKFXARTPT-UHFFFAOYSA-N	-1	0	371.421	2.447	20	10		FECDRM
C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C(=O)[O-]	ZINC000849366164	681695800	/nfs/dbraw/zinc/69/58/00/681695800.db2.gz	OACZDFQVMBSXQL-FZMZJTMJSA-N	-1	0	359.451	2.499	20	10		FECDRM
COc1ccc(N2CCN(S(=O)(=O)c3ccccc3[O-])CC2)cc1F	ZINC000849380785	681704501	/nfs/dbraw/zinc/70/45/01/681704501.db2.gz	CQOUJQXVYBYUSN-UHFFFAOYSA-N	-1	0	366.414	2.051	20	10		FECDRM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820168	683276554	/nfs/dbraw/zinc/27/65/54/683276554.db2.gz	JNJQRBMCHBQONE-UHFFFAOYSA-N	-1	0	355.368	2.144	20	10		FECDRM
COC(=O)c1occc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000798177225	683318022	/nfs/dbraw/zinc/31/80/22/683318022.db2.gz	GMSZNWIBBFQHDL-VQHVLOKHSA-N	-1	0	355.393	2.132	20	10		FECDRM
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000864339425	683838886	/nfs/dbraw/zinc/83/88/86/683838886.db2.gz	AMRCAVRADNQNET-UHFFFAOYSA-N	-1	0	366.351	2.070	20	10		FECDRM
CC[C@H](CC(F)(F)F)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872992023	685045091	/nfs/dbraw/zinc/04/50/91/685045091.db2.gz	UWFXBPDNUCRRPK-LLVKDONJSA-N	-1	0	362.348	2.433	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)c3csc(C(=O)[O-])n3)CC2)cc1	ZINC000911335117	685200239	/nfs/dbraw/zinc/20/02/39/685200239.db2.gz	SRBQBKGMXQUPFP-UHFFFAOYSA-N	-1	0	361.423	2.249	20	10		FECDRM
CCn1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c(C)n1	ZINC000911359975	685202379	/nfs/dbraw/zinc/20/23/79/685202379.db2.gz	JDVVJKPLCWLTKE-UHFFFAOYSA-N	-1	0	351.790	2.297	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)Cn1cc(C2CC2)cn1	ZINC000911360220	685203114	/nfs/dbraw/zinc/20/31/14/685203114.db2.gz	OZYBNBCTGVIPSE-UHFFFAOYSA-N	-1	0	363.801	2.233	20	10		FECDRM
C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCN1C(=O)c1cscn1	ZINC000877578017	686414532	/nfs/dbraw/zinc/41/45/32/686414532.db2.gz	QNEYFJHBMQAAQD-JTQLQIEISA-N	-1	0	353.394	2.473	20	10		FECDRM
CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000883920956	687758981	/nfs/dbraw/zinc/75/89/81/687758981.db2.gz	QQDHAMKLXNLRFM-MGCOHNPYSA-N	-1	0	367.254	2.074	20	10		FECDRM
CC1(C)CCC[C@@H](CS(=O)(=O)[N-]N=c2[nH]c3ccncc3s2)O1	ZINC000901691748	690679518	/nfs/dbraw/zinc/67/95/18/690679518.db2.gz	CTEQXLBXEYCNBU-JTQLQIEISA-N	-1	0	356.473	2.285	20	10		FECDRM
CCOC(=O)CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135834	674321814	/nfs/dbraw/zinc/32/18/14/674321814.db2.gz	URJUGPAKXUCCQL-UHFFFAOYSA-N	-1	0	356.227	2.072	20	10		FECDRM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)s1	ZINC000182476516	547500136	/nfs/dbraw/zinc/50/01/36/547500136.db2.gz	FJGCCDBOYKTMPT-UHFFFAOYSA-N	-1	0	354.453	2.242	20	10		FECDRM
CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3O)c2)CC1	ZINC000187121829	548251046	/nfs/dbraw/zinc/25/10/46/548251046.db2.gz	GCVTWDGJWAEBMM-UHFFFAOYSA-N	-1	0	357.385	2.452	20	10		FECDRM
O=C([O-])Cn1c(=O)c2ccccc2nc1/C=C/c1cnn(CC(F)F)c1	ZINC000644850036	568346394	/nfs/dbraw/zinc/34/63/94/568346394.db2.gz	OZIALYXOEIKTBQ-AATRIKPKSA-N	-1	0	360.320	2.113	20	10		FECDRM
COc1ccc(N(CC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1F	ZINC000738018220	599721671	/nfs/dbraw/zinc/72/16/71/599721671.db2.gz	VWHUTQCFXJFARQ-UHFFFAOYSA-N	-1	0	352.406	2.372	20	10		FECDRM
CCc1nnc2n1CCN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2	ZINC000737287006	600281094	/nfs/dbraw/zinc/28/10/94/600281094.db2.gz	CMJHBAHOPSMWSU-UHFFFAOYSA-N	-1	0	352.394	2.413	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@H]2C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000832909818	601561915	/nfs/dbraw/zinc/56/19/15/601561915.db2.gz	JRQHPYNYBIJWKC-SFHVURJKSA-N	-1	0	356.422	2.371	20	10		FECDRM
CCc1cc(=O)[nH]c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1	ZINC000830224757	602236902	/nfs/dbraw/zinc/23/69/02/602236902.db2.gz	VCKNLEGSDHUDOI-UHFFFAOYSA-N	-1	0	351.790	2.190	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000739840972	602469825	/nfs/dbraw/zinc/46/98/25/602469825.db2.gz	VNSMSILKJKGHGS-HNNXBMFYSA-N	-1	0	359.426	2.387	20	10		FECDRM
Cc1nn(C)c(C)c1NC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000740247979	602648863	/nfs/dbraw/zinc/64/88/63/602648863.db2.gz	YWXNFKBYLTWJGZ-UHFFFAOYSA-N	-1	0	371.441	2.196	20	10		FECDRM
CCc1noc(C)c1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827663430	603023456	/nfs/dbraw/zinc/02/34/56/603023456.db2.gz	MRQYGVGYVJYVMM-OAHLLOKOSA-N	-1	0	360.414	2.350	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)cn2C)NC(=O)[O-])cc1	ZINC000828064659	603024178	/nfs/dbraw/zinc/02/41/78/603024178.db2.gz	VOGLJBAZMIMVHV-CQSZACIVSA-N	-1	0	364.833	2.483	20	10		FECDRM
Cc1nc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cs1	ZINC000830737777	603025113	/nfs/dbraw/zinc/02/51/13/603025113.db2.gz	MLACCWNUKHNMBY-HNNXBMFYSA-N	-1	0	362.455	2.185	20	10		FECDRM
Cc1noc(C)c1CCC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830909572	603028403	/nfs/dbraw/zinc/02/84/03/603028403.db2.gz	PPRNHGDZFFSARH-KRWDZBQOSA-N	-1	0	374.441	2.415	20	10		FECDRM
C[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825077449	603897540	/nfs/dbraw/zinc/89/75/40/603897540.db2.gz	ZEIQDXZGLYEMOI-KUHUBIRLSA-N	-1	0	361.442	2.090	20	10		FECDRM
COc1cccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1O	ZINC000829537638	603932008	/nfs/dbraw/zinc/93/20/08/603932008.db2.gz	SUIYACPNUUJZFB-OAHLLOKOSA-N	-1	0	373.409	2.206	20	10		FECDRM
CC(C)c1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n(C)n1	ZINC000824458935	603949356	/nfs/dbraw/zinc/94/93/56/603949356.db2.gz	JEYUCDKVXYQTEU-INIZCTEOSA-N	-1	0	373.457	2.348	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828360043	604071719	/nfs/dbraw/zinc/07/17/19/604071719.db2.gz	MWRYJKZVSULGDH-UHFFFAOYSA-N	-1	0	361.442	2.062	20	10		FECDRM
O=C([O-])N1CCC(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	ZINC000831708318	604088579	/nfs/dbraw/zinc/08/85/79/604088579.db2.gz	GRLSPCXLFDVSCX-UHFFFAOYSA-N	-1	0	361.442	2.460	20	10		FECDRM
O=C([O-])N1CC[C@@H](CCNC(=O)NCCCSc2nccs2)C1	ZINC000831681305	604336150	/nfs/dbraw/zinc/33/61/50/604336150.db2.gz	SLLBJCBYDMLYIW-LLVKDONJSA-N	-1	0	358.489	2.315	20	10		FECDRM
CC(C)n1nccc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000824534654	604963397	/nfs/dbraw/zinc/96/33/97/604963397.db2.gz	OCBRLCXIJITBRW-HNNXBMFYSA-N	-1	0	359.430	2.269	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000833733237	605033630	/nfs/dbraw/zinc/03/36/30/605033630.db2.gz	DMVWXDPXOOYKBB-QMMMGPOBSA-N	-1	0	357.409	2.200	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1	ZINC000833733755	605034073	/nfs/dbraw/zinc/03/40/73/605034073.db2.gz	OPNSSTPHJAUBJP-NSHDSACASA-N	-1	0	365.407	2.280	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000829733506	605879183	/nfs/dbraw/zinc/87/91/83/605879183.db2.gz	ZPUGDPXXROWFID-AWEZNQCLSA-N	-1	0	352.456	2.277	20	10		FECDRM
CCOc1ccc(-c2nn[nH]n2)cc1NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000825632467	609475052	/nfs/dbraw/zinc/47/50/52/609475052.db2.gz	SXPFEKOCSSVHHO-UHFFFAOYSA-N	-1	0	356.342	2.491	20	10		FECDRM
O=C(CNC(=O)NCc1ccco1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813686049	674769434	/nfs/dbraw/zinc/76/94/34/674769434.db2.gz	WVXOLJUVNQXMOI-UHFFFAOYSA-N	-1	0	372.208	2.408	20	10		FECDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1C	ZINC000013463968	670006820	/nfs/dbraw/zinc/00/68/20/670006820.db2.gz	ZBDNKJRQNANQFE-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000175311433	672367325	/nfs/dbraw/zinc/36/73/25/672367325.db2.gz	UEXINDCFJNKTHU-UHFFFAOYSA-N	-1	0	355.419	2.049	20	10		FECDRM
CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000326511828	673053270	/nfs/dbraw/zinc/05/32/70/673053270.db2.gz	RYGYSOYFEZGRHC-UHFFFAOYSA-N	-1	0	364.379	2.158	20	10		FECDRM
COc1cc(S(=O)(=O)Nc2ccc(O)cc2C)cc(C(=O)[O-])c1OC	ZINC000327192704	673058282	/nfs/dbraw/zinc/05/82/82/673058282.db2.gz	DJGGGSWRAHOLMY-UHFFFAOYSA-N	-1	0	367.379	2.217	20	10		FECDRM
C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000708146867	673064747	/nfs/dbraw/zinc/06/47/47/673064747.db2.gz	SLABFKSYKNZQRI-QMMMGPOBSA-N	-1	0	368.680	2.427	20	10		FECDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000727251579	673162786	/nfs/dbraw/zinc/16/27/86/673162786.db2.gz	YJYIVABSJVVRRQ-UHFFFAOYSA-N	-1	0	368.396	2.104	20	10		FECDRM
Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccc3c(c2)OCO3)cs1	ZINC000727243295	673162878	/nfs/dbraw/zinc/16/28/78/673162878.db2.gz	BQXXOZIGWZILSD-UHFFFAOYSA-N	-1	0	364.408	2.073	20	10		FECDRM
O=C1CCOc2c([N-]S(=O)(=O)c3cccc4nsnc43)cccc21	ZINC000542801263	673607284	/nfs/dbraw/zinc/60/72/84/673607284.db2.gz	RRDSOWUGBVRYBU-UHFFFAOYSA-N	-1	0	361.404	2.457	20	10		FECDRM
COc1cccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1	ZINC000743047146	673747743	/nfs/dbraw/zinc/74/77/43/673747743.db2.gz	RTQMDLUYDJJOCM-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	ZINC000819397395	675288147	/nfs/dbraw/zinc/28/81/47/675288147.db2.gz	CAUDQOSKZWKCOO-YDBLSZJJSA-N	-1	0	363.435	2.394	20	10		FECDRM
CS(=O)(=O)CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000823814853	675572973	/nfs/dbraw/zinc/57/29/73/675572973.db2.gz	RPUHGFQPTPHDJT-UHFFFAOYSA-N	-1	0	369.270	2.323	20	10		FECDRM
COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)ccc1[N+](=O)[O-]	ZINC000766046737	680864173	/nfs/dbraw/zinc/86/41/73/680864173.db2.gz	BTOGUFBMWSMHET-UHFFFAOYSA-N	-1	0	366.351	2.312	20	10		FECDRM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)ccc1[O-]	ZINC000766047063	680864296	/nfs/dbraw/zinc/86/42/96/680864296.db2.gz	DSNYPGBLBIUZHF-UHFFFAOYSA-N	-1	0	364.379	2.060	20	10		FECDRM
Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000751142688	680155920	/nfs/dbraw/zinc/15/59/20/680155920.db2.gz	JZZVLKLJXXRULB-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
C[C@@H]1Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])cc2NC1=O	ZINC000753022700	680271257	/nfs/dbraw/zinc/27/12/57/680271257.db2.gz	ZVFCGBMHTPYBJD-ZETCQYMHSA-N	-1	0	370.333	2.191	20	10		FECDRM
COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000766048413	680864466	/nfs/dbraw/zinc/86/44/66/680864466.db2.gz	SJQUEWCVCPIWHF-UHFFFAOYSA-N	-1	0	351.380	2.413	20	10		FECDRM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCO2	ZINC000766308460	680873458	/nfs/dbraw/zinc/87/34/58/680873458.db2.gz	SKDRMRGXHWLHMH-UHFFFAOYSA-N	-1	0	352.324	2.138	20	10		FECDRM
O=S1(=O)CC[C@]2(C1)CN(Cc1cc(Cl)cc(Cl)c1[O-])CCO2	ZINC000843425967	681003372	/nfs/dbraw/zinc/00/33/72/681003372.db2.gz	LSWZIJASFURQBF-CQSZACIVSA-N	-1	0	366.266	2.089	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848585266	681583425	/nfs/dbraw/zinc/58/34/25/681583425.db2.gz	JHXOXUUDNAAEGG-VIFPVBQESA-N	-1	0	359.220	2.407	20	10		FECDRM
COc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1O	ZINC000848594839	681586923	/nfs/dbraw/zinc/58/69/23/681586923.db2.gz	AFPCFCZHEQCWPH-KGYLQXTDSA-N	-1	0	350.415	2.335	20	10		FECDRM
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccccc1[O-]	ZINC000849371598	681698293	/nfs/dbraw/zinc/69/82/93/681698293.db2.gz	YRWRFVHGARRQGT-UHFFFAOYSA-N	-1	0	364.492	2.424	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000779460060	681718249	/nfs/dbraw/zinc/71/82/49/681718249.db2.gz	JRMSHEFGVYTFKH-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
CC(=O)COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408074	682295343	/nfs/dbraw/zinc/29/53/43/682295343.db2.gz	PRMQDYXDSBLQDS-UHFFFAOYSA-N	-1	0	355.393	2.000	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCC(F)(F)C2)cc1	ZINC000853008375	682363352	/nfs/dbraw/zinc/36/33/52/682363352.db2.gz	OZBWABBFEVNLHL-LBPRGKRZSA-N	-1	0	356.369	2.138	20	10		FECDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C	ZINC000853121054	682378656	/nfs/dbraw/zinc/37/86/56/682378656.db2.gz	XPUSUVPEYRGORS-CQSZACIVSA-N	-1	0	364.467	2.118	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000790411720	682674627	/nfs/dbraw/zinc/67/46/27/682674627.db2.gz	OGNCEYQVYALGIY-UHFFFAOYSA-N	-1	0	366.351	2.362	20	10		FECDRM
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000790411221	682674785	/nfs/dbraw/zinc/67/47/85/682674785.db2.gz	HHJPFHAKKACQKQ-UHFFFAOYSA-N	-1	0	367.379	2.304	20	10		FECDRM
CS(=O)(=O)NC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F	ZINC000792162818	682792962	/nfs/dbraw/zinc/79/29/62/682792962.db2.gz	PUMZUOPPKDMYMR-SNVBAGLBSA-N	-1	0	350.843	2.088	20	10		FECDRM
COc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c(O)c1	ZINC000796352809	683155380	/nfs/dbraw/zinc/15/53/80/683155380.db2.gz	MSBODASWACUCSN-UHFFFAOYSA-N	-1	0	357.391	2.268	20	10		FECDRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1	ZINC000797819415	683275943	/nfs/dbraw/zinc/27/59/43/683275943.db2.gz	INKBVQDNTOMRKF-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
CCc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C(=O)[O-]	ZINC000797820270	683276148	/nfs/dbraw/zinc/27/61/48/683276148.db2.gz	ONZRPUMVIXMZNL-UHFFFAOYSA-N	-1	0	351.380	2.462	20	10		FECDRM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820335	683276586	/nfs/dbraw/zinc/27/65/86/683276586.db2.gz	SARNFBMZOVVTHB-UHFFFAOYSA-N	-1	0	357.409	2.358	20	10		FECDRM
C[C@@H](NC(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000929046494	683539680	/nfs/dbraw/zinc/53/96/80/683539680.db2.gz	WCLVTOPYUOZXBY-ABAIWWIYSA-N	-1	0	362.455	2.265	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC[C@H](CCF)C2)cc1	ZINC000872984186	685044008	/nfs/dbraw/zinc/04/40/08/685044008.db2.gz	IIGMFAMNQDUIBJ-CQSZACIVSA-N	-1	0	352.406	2.184	20	10		FECDRM
O=C([O-])c1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1	ZINC000911095185	685163070	/nfs/dbraw/zinc/16/30/70/685163070.db2.gz	ABIINWVVKYODHQ-GFCCVEGCSA-N	-1	0	362.407	2.368	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCOC1CCOCC1	ZINC000911359604	685202296	/nfs/dbraw/zinc/20/22/96/685202296.db2.gz	CNFVHWVZYKCIPW-UHFFFAOYSA-N	-1	0	371.817	2.045	20	10		FECDRM
CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1	ZINC000882724293	687456299	/nfs/dbraw/zinc/45/62/99/687456299.db2.gz	IFQITQCNBLXKBH-UHFFFAOYSA-N	-1	0	353.444	2.414	20	10		FECDRM
Cn1cc([C@@H]2C[S@](=O)CCN2Cc2c([O-])ccc(Cl)c2F)cn1	ZINC000895377781	689706348	/nfs/dbraw/zinc/70/63/48/689706348.db2.gz	HBSOQOHYFIQLRO-ZAMGYDSWSA-N	-1	0	357.838	2.224	20	10		FECDRM
O=C(NCc1cnc2n1CCOC2)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000898947971	690279008	/nfs/dbraw/zinc/27/90/08/690279008.db2.gz	QDAXPIXPHVKWJL-UHFFFAOYSA-N	-1	0	371.224	2.425	20	10		FECDRM
COC(=O)c1c(F)cc([N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000800844822	674082364	/nfs/dbraw/zinc/08/23/64/674082364.db2.gz	MVPFWCVGDMEOCV-UHFFFAOYSA-N	-1	0	369.305	2.088	20	10		FECDRM
O=C(NCc1nnc2n1CCC2)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000804889346	674305299	/nfs/dbraw/zinc/30/52/99/674305299.db2.gz	KYRSADOUXWZRAT-UHFFFAOYSA-N	-1	0	356.213	2.236	20	10		FECDRM
CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805189611	674325072	/nfs/dbraw/zinc/32/50/72/674325072.db2.gz	YTCMTFHPDQSPFJ-MRVPVSSYSA-N	-1	0	369.270	2.321	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000269147510	550160641	/nfs/dbraw/zinc/16/06/41/550160641.db2.gz	QCYRKHFFOUQJOL-UHFFFAOYSA-N	-1	0	371.393	2.409	20	10		FECDRM
C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273438473	550498621	/nfs/dbraw/zinc/49/86/21/550498621.db2.gz	XTMILSIPKAMNAF-ZDUSSCGKSA-N	-1	0	358.398	2.383	20	10		FECDRM
COC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc2c(c1)CCO2	ZINC000275168937	550571006	/nfs/dbraw/zinc/57/10/06/550571006.db2.gz	WOBLGDQZJXAAEP-SFHVURJKSA-N	-1	0	357.362	2.060	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000276838226	550601998	/nfs/dbraw/zinc/60/19/98/550601998.db2.gz	HWTDZPQJGYJABS-UHFFFAOYSA-N	-1	0	351.380	2.363	20	10		FECDRM
C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000285780422	551809789	/nfs/dbraw/zinc/80/97/89/551809789.db2.gz	UPZIIMCMIQMTKO-IINYFYTJSA-N	-1	0	363.336	2.214	20	10		FECDRM
Cc1nc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(Br)n1C	ZINC000288169344	552103348	/nfs/dbraw/zinc/10/33/48/552103348.db2.gz	DGNNBNHTSMRYRT-UHFFFAOYSA-N	-1	0	360.233	2.306	20	10		FECDRM
Cn1nnc2c1nccc2C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839009	674431392	/nfs/dbraw/zinc/43/13/92/674431392.db2.gz	FNRUGVPZOWDUOH-UHFFFAOYSA-N	-1	0	352.181	2.306	20	10		FECDRM
CC(C)CS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838046	674431359	/nfs/dbraw/zinc/43/13/59/674431359.db2.gz	JREWVTMOEFYYRE-UHFFFAOYSA-N	-1	0	354.255	2.386	20	10		FECDRM
CC(C)CN1C[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1=O	ZINC000324112247	599835464	/nfs/dbraw/zinc/83/54/64/599835464.db2.gz	NXEDUEJIXUUHIH-SNVBAGLBSA-N	-1	0	350.440	2.378	20	10		FECDRM
Cc1cc(CCNC(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1	ZINC000738229201	600033720	/nfs/dbraw/zinc/03/37/20/600033720.db2.gz	ASJXOKRBDSNOPK-SFHVURJKSA-N	-1	0	371.437	2.132	20	10		FECDRM
C[C@@H]1C[C@@H](C)CN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000736749015	600313719	/nfs/dbraw/zinc/31/37/19/600313719.db2.gz	HUWXVPDJLFYJEM-CHWSQXEVSA-N	-1	0	368.861	2.437	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000830644285	600988257	/nfs/dbraw/zinc/98/82/57/600988257.db2.gz	VILUXAMIFLIDJA-UHFFFAOYSA-N	-1	0	368.436	2.100	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)CC2)cc1	ZINC000832384246	601493698	/nfs/dbraw/zinc/49/36/98/601493698.db2.gz	VQNAQJIJRBARLK-SUMWQHHRSA-N	-1	0	361.442	2.026	20	10		FECDRM
O=C([O-])c1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000821437533	601855964	/nfs/dbraw/zinc/85/59/64/601855964.db2.gz	KADLNUYAGMKUBD-UHFFFAOYSA-N	-1	0	369.421	2.221	20	10		FECDRM
COc1ccc(N(C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1F	ZINC000832378772	602017217	/nfs/dbraw/zinc/01/72/17/602017217.db2.gz	SRKGXGDDFSFAIN-QGZVFWFLSA-N	-1	0	372.396	2.309	20	10		FECDRM
CCC[C@](C)(NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739283787	602110914	/nfs/dbraw/zinc/11/09/14/602110914.db2.gz	KJSGEPQWASZNLW-IBGZPJMESA-N	-1	0	363.458	2.308	20	10		FECDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000739291126	602131736	/nfs/dbraw/zinc/13/17/36/602131736.db2.gz	LALHWCPANVDEFV-GOSISDBHSA-N	-1	0	367.421	2.105	20	10		FECDRM
C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000827280125	602174830	/nfs/dbraw/zinc/17/48/30/602174830.db2.gz	KDGOKOIWXBVLEZ-VXGBXAGGSA-N	-1	0	356.369	2.484	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CCCCN3C(=O)[O-])CC2)cc1	ZINC000739910773	602511907	/nfs/dbraw/zinc/51/19/07/602511907.db2.gz	TUTXUZCOSIXHMR-QGZVFWFLSA-N	-1	0	361.442	2.313	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1F	ZINC000739415740	602690565	/nfs/dbraw/zinc/69/05/65/602690565.db2.gz	ZMXCVDCYCBSESG-AWEZNQCLSA-N	-1	0	366.437	2.471	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)N1C(=O)[O-]	ZINC000739142830	602838584	/nfs/dbraw/zinc/83/85/84/602838584.db2.gz	SDMCUTSAORDIAU-GASCZTMLSA-N	-1	0	358.442	2.345	20	10		FECDRM
COc1cccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000829537206	603031688	/nfs/dbraw/zinc/03/16/88/603031688.db2.gz	HTFLDHMAYXUBKX-QGZVFWFLSA-N	-1	0	357.410	2.500	20	10		FECDRM
Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830672816	603035405	/nfs/dbraw/zinc/03/54/05/603035405.db2.gz	OINSAFKBZQKLGM-QGZVFWFLSA-N	-1	0	373.457	2.150	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NC2CCC(NC(=O)[O-])CC2)c1	ZINC000739925341	603105386	/nfs/dbraw/zinc/10/53/86/603105386.db2.gz	MBEQAHLUVPBSTH-UNXYVOJBSA-N	-1	0	351.403	2.340	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)cc1	ZINC000829424009	603374847	/nfs/dbraw/zinc/37/48/47/603374847.db2.gz	KWTAFSDYVPJAPK-INIZCTEOSA-N	-1	0	361.442	2.266	20	10		FECDRM
CC(C)(CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)[O-]	ZINC000823917145	603451825	/nfs/dbraw/zinc/45/18/25/603451825.db2.gz	COGJXJGTEFGZLV-CQSZACIVSA-N	-1	0	365.430	2.129	20	10		FECDRM
O=C([O-])N1CCC[C@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000831319304	603585526	/nfs/dbraw/zinc/58/55/26/603585526.db2.gz	IRFVGEDEORNVHZ-HOTGVXAUSA-N	-1	0	362.426	2.432	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CNC(=O)[O-])CC(C)C)c1	ZINC000829484609	603661735	/nfs/dbraw/zinc/66/17/35/603661735.db2.gz	VGSKUAPJGMVMPL-RYUDHWBXSA-N	-1	0	353.419	2.443	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000829484144	604581396	/nfs/dbraw/zinc/58/13/96/604581396.db2.gz	PTKGFGYDSAQYHB-QWHCGFSZSA-N	-1	0	350.415	2.433	20	10		FECDRM
CCCN(Cc1ccccc1O)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000826911564	605288188	/nfs/dbraw/zinc/28/81/88/605288188.db2.gz	AWBKKVYVCLEISN-HNNXBMFYSA-N	-1	0	350.415	2.290	20	10		FECDRM
C[C@@H](C(=O)NCC(F)(F)F)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000823686952	605464575	/nfs/dbraw/zinc/46/45/75/605464575.db2.gz	UCCLUYQNOHEXFP-JTQLQIEISA-N	-1	0	359.348	2.274	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)CCCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000833634789	605762726	/nfs/dbraw/zinc/76/27/26/605762726.db2.gz	KMEYDFUFZIAZMW-BETUJISGSA-N	-1	0	352.406	2.310	20	10		FECDRM
CN(C)C(=O)CC1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000833687286	605862546	/nfs/dbraw/zinc/86/25/46/605862546.db2.gz	CPGJLNWMTPSLMX-XQRVVYSFSA-N	-1	0	361.398	2.387	20	10		FECDRM
O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000826493159	609156523	/nfs/dbraw/zinc/15/65/23/609156523.db2.gz	WGKMQCZPDRMLRT-UHFFFAOYSA-N	-1	0	369.765	2.166	20	10		FECDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000744241238	673788276	/nfs/dbraw/zinc/78/82/76/673788276.db2.gz	DDAYKLPLZBBYHL-UHFFFAOYSA-N	-1	0	353.419	2.160	20	10		FECDRM
O=C1NCCN1c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000821151025	675418652	/nfs/dbraw/zinc/41/86/52/675418652.db2.gz	RQWIVVNRQWSFDZ-UHFFFAOYSA-N	-1	0	369.349	2.001	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCn3c(nnc3C(F)F)C2)c1[O-]	ZINC000827898320	675786007	/nfs/dbraw/zinc/78/60/07/675786007.db2.gz	KRYPOHQJYZLGNA-UHFFFAOYSA-N	-1	0	359.720	2.499	20	10		FECDRM
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765058106	680829333	/nfs/dbraw/zinc/82/93/33/680829333.db2.gz	ADZQIQZMGDGFEC-UHFFFAOYSA-N	-1	0	361.383	2.165	20	10		FECDRM
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047067	680864155	/nfs/dbraw/zinc/86/41/55/680864155.db2.gz	FAZMDCATFZUICC-UHFFFAOYSA-N	-1	0	363.391	2.491	20	10		FECDRM
O=C1CN(Cc2cccc(Br)c2[O-])CN1CC(F)(F)F	ZINC000754155041	680340729	/nfs/dbraw/zinc/34/07/29/680340729.db2.gz	UINXFDICVBGXHQ-UHFFFAOYSA-N	-1	0	353.138	2.319	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC000753521745	680302081	/nfs/dbraw/zinc/30/20/81/680302081.db2.gz	LYMAKUAWKNOWMB-UHFFFAOYSA-N	-1	0	370.314	2.027	20	10		FECDRM
COc1cc(Cl)cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1O	ZINC000758816974	680609472	/nfs/dbraw/zinc/60/94/72/680609472.db2.gz	VTLLKJRVXQHJBV-OQFOIZHKSA-N	-1	0	359.812	2.340	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C	ZINC000841677568	680905876	/nfs/dbraw/zinc/90/58/76/680905876.db2.gz	UHTQQAGDZDSCSF-JTQLQIEISA-N	-1	0	365.411	2.073	20	10		FECDRM
O=C([O-])COCCNC(=O)N(Cc1ccccc1O)C1CCCCC1	ZINC000874408364	685382512	/nfs/dbraw/zinc/38/25/12/685382512.db2.gz	GBKKHTIBCMRHMN-UHFFFAOYSA-N	-1	0	350.415	2.338	20	10		FECDRM
CC(C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000844252437	681046627	/nfs/dbraw/zinc/04/66/27/681046627.db2.gz	QWOQDWBBLKOHJA-LLVKDONJSA-N	-1	0	356.369	2.484	20	10		FECDRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000775285796	681291815	/nfs/dbraw/zinc/29/18/15/681291815.db2.gz	CHKXTJSLOODYTH-UHFFFAOYSA-N	-1	0	353.312	2.318	20	10		FECDRM
O=[N+]([O-])c1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1[O-]	ZINC000775287540	681292541	/nfs/dbraw/zinc/29/25/41/681292541.db2.gz	BXQIJLCUUMEIGX-UHFFFAOYSA-N	-1	0	367.339	2.193	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1N(C)C	ZINC000776434454	681391750	/nfs/dbraw/zinc/39/17/50/681391750.db2.gz	GIXPFEFWIHZHJX-UHFFFAOYSA-N	-1	0	350.396	2.266	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1N(C)C	ZINC000776434961	681391778	/nfs/dbraw/zinc/39/17/78/681391778.db2.gz	TWARVLZLJBCCEW-UHFFFAOYSA-N	-1	0	350.396	2.266	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2(C(F)(F)F)CC2)cc1	ZINC000853007451	682363192	/nfs/dbraw/zinc/36/31/92/682363192.db2.gz	AFLKDCXKNFHQKO-UHFFFAOYSA-N	-1	0	360.332	2.045	20	10		FECDRM
CC[C@H](NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)c1nccs1	ZINC000853006577	682363317	/nfs/dbraw/zinc/36/33/17/682363317.db2.gz	VVYSLJSGBMPHOP-AWEZNQCLSA-N	-1	0	363.439	2.310	20	10		FECDRM
CCOC(=O)[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)=O	ZINC000854473808	682555523	/nfs/dbraw/zinc/55/55/23/682555523.db2.gz	FHJCRYRDQRCJOJ-NSHDSACASA-N	-1	0	362.209	2.474	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cnc1C	ZINC000793430107	682888900	/nfs/dbraw/zinc/88/89/00/682888900.db2.gz	RZJHQFRVQVQWHL-UHFFFAOYSA-N	-1	0	368.436	2.405	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cncc(Br)c2)ccc1O	ZINC000795361923	683044794	/nfs/dbraw/zinc/04/47/94/683044794.db2.gz	JMYIWJBBTVUBTD-UHFFFAOYSA-N	-1	0	359.201	2.359	20	10		FECDRM
CNS(=O)(=O)c1ccc(C)c(NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000796431136	683161463	/nfs/dbraw/zinc/16/14/63/683161463.db2.gz	OYPIHCIPDCTVDV-UHFFFAOYSA-N	-1	0	351.384	2.129	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c(C)n1-c1ccc(F)cc1	ZINC000796882071	683203265	/nfs/dbraw/zinc/20/32/65/683203265.db2.gz	BKZCWHUCZUJTMR-UHFFFAOYSA-N	-1	0	362.386	2.075	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1F	ZINC000797720656	683267744	/nfs/dbraw/zinc/26/77/44/683267744.db2.gz	ZPBCMQOXYKFSQK-WFASDCNBSA-N	-1	0	355.385	2.379	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2C)ccc1O	ZINC000797819530	683275594	/nfs/dbraw/zinc/27/55/94/683275594.db2.gz	LAGJOFHIAKENKZ-UHFFFAOYSA-N	-1	0	360.395	2.091	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1O	ZINC000797820340	683276353	/nfs/dbraw/zinc/27/63/53/683276353.db2.gz	SIPNSQGNJGMVOG-UHFFFAOYSA-N	-1	0	370.770	2.290	20	10		FECDRM
C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccc(N(C)C)cc1	ZINC000860951123	683321095	/nfs/dbraw/zinc/32/10/95/683321095.db2.gz	YYPCCYRRPKLASG-GFCCVEGCSA-N	-1	0	362.455	2.010	20	10		FECDRM
CN(C)C1(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000867271415	684236253	/nfs/dbraw/zinc/23/62/53/684236253.db2.gz	YFCOKQMDNKUBCH-UHFFFAOYSA-N	-1	0	353.271	2.213	20	10		FECDRM
O=S(=O)(CCn1cccn1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000867271428	684236272	/nfs/dbraw/zinc/23/62/72/684236272.db2.gz	YJLAQYRHKRKVNF-UHFFFAOYSA-N	-1	0	350.227	2.015	20	10		FECDRM
CO[C@@H](CS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1)C1CCCC1	ZINC000872385555	684942520	/nfs/dbraw/zinc/94/25/20/684942520.db2.gz	ZCGRQFODKWLEET-LBPRGKRZSA-N	-1	0	356.473	2.143	20	10		FECDRM
COCc1nc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cs1	ZINC000911354060	685201792	/nfs/dbraw/zinc/20/17/92/685201792.db2.gz	LVTGZJICFBTHFR-UHFFFAOYSA-N	-1	0	370.814	2.376	20	10		FECDRM
C[C@H]1CO[C@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000894095074	689465866	/nfs/dbraw/zinc/46/58/66/689465866.db2.gz	PKXNXJMTCLPZIO-KWQFWETISA-N	-1	0	350.640	2.390	20	10		FECDRM
COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cccc(Br)c1[O-]	ZINC000895863763	689784209	/nfs/dbraw/zinc/78/42/09/689784209.db2.gz	NJYCIKAXMUKKKW-AAEUAGOBSA-N	-1	0	358.232	2.355	20	10		FECDRM
O=S(=O)(CC1Cc2ccccc2C1)[N-]N=c1[nH]c2ccncc2s1	ZINC000901692561	690680193	/nfs/dbraw/zinc/68/01/93/690680193.db2.gz	NBOXGMREFCJZFC-UHFFFAOYSA-N	-1	0	360.464	2.353	20	10		FECDRM
C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCCS1(=O)=O	ZINC000908212519	691638589	/nfs/dbraw/zinc/63/85/89/691638589.db2.gz	QBACRRBSUSKOEA-ZDUSSCGKSA-N	-1	0	352.239	2.283	20	10		FECDRM
O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F	ZINC000053697443	540550239	/nfs/dbraw/zinc/55/02/39/540550239.db2.gz	RWCNXBUCTQFWBN-UHFFFAOYSA-N	-1	0	368.405	2.280	20	10		FECDRM
Cc1cnc(N)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000805134674	674321930	/nfs/dbraw/zinc/32/19/30/674321930.db2.gz	GERYDZZQFYETAP-UHFFFAOYSA-N	-1	0	362.238	2.463	20	10		FECDRM
C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805210843	674326032	/nfs/dbraw/zinc/32/60/32/674326032.db2.gz	XPBSSMHOYNEKJU-QMMMGPOBSA-N	-1	0	369.270	2.321	20	10		FECDRM
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CN(C)CCO1	ZINC000805221186	674326347	/nfs/dbraw/zinc/32/63/47/674326347.db2.gz	GLFSVPRBDPDRSB-ZANVPECISA-N	-1	0	362.257	2.217	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)cc1	ZINC000159873628	545988259	/nfs/dbraw/zinc/98/82/59/545988259.db2.gz	UAMVRHMCLJWFGF-UHFFFAOYSA-N	-1	0	357.366	2.271	20	10		FECDRM
O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2O)CC1	ZINC000179552694	546975500	/nfs/dbraw/zinc/97/55/00/546975500.db2.gz	AJEFJJZQXABWPK-UHFFFAOYSA-N	-1	0	350.415	2.038	20	10		FECDRM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000269131065	550158728	/nfs/dbraw/zinc/15/87/28/550158728.db2.gz	BCQQWOACMKBIJO-UHFFFAOYSA-N	-1	0	357.366	2.067	20	10		FECDRM
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1O	ZINC000278382469	550779347	/nfs/dbraw/zinc/77/93/47/550779347.db2.gz	LXYPWWXJUVOSGW-SUHUHFCYSA-N	-1	0	350.371	2.083	20	10		FECDRM
Cn1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c(C(F)F)n1	ZINC000290898234	552557909	/nfs/dbraw/zinc/55/79/09/552557909.db2.gz	DQRAGJLVWVYCNG-VMPITWQZSA-N	-1	0	361.395	2.424	20	10		FECDRM
Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738317924	600047440	/nfs/dbraw/zinc/04/74/40/600047440.db2.gz	BIIFHBRVGCFLBP-UHFFFAOYSA-N	-1	0	356.422	2.432	20	10		FECDRM
O=C([O-])c1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	ZINC000739256245	600065139	/nfs/dbraw/zinc/06/51/39/600065139.db2.gz	ORWPQZPTFGVKPD-UHFFFAOYSA-N	-1	0	368.433	2.470	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(CC(=O)[O-])cs2)c1	ZINC000738042426	600107911	/nfs/dbraw/zinc/10/79/11/600107911.db2.gz	VHAIVDCILWNYHX-MRVPVSSYSA-N	-1	0	351.384	2.367	20	10		FECDRM
COCCOC1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737814026	600260908	/nfs/dbraw/zinc/26/09/08/600260908.db2.gz	YOUJAVMASLYEJU-HYXAFXHYSA-N	-1	0	350.371	2.324	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC000737477981	600307635	/nfs/dbraw/zinc/30/76/35/600307635.db2.gz	XRRSDVATHBWMRV-UHFFFAOYSA-N	-1	0	373.384	2.187	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000738401410	600626654	/nfs/dbraw/zinc/62/66/54/600626654.db2.gz	BPMDRBQMWPNQDD-UHFFFAOYSA-N	-1	0	363.439	2.019	20	10		FECDRM
CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829686955	600701686	/nfs/dbraw/zinc/70/16/86/600701686.db2.gz	CLGWKJXTKLBCPB-UHFFFAOYSA-N	-1	0	365.455	2.380	20	10		FECDRM
Cn1cc([C@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833044290	601254258	/nfs/dbraw/zinc/25/42/58/601254258.db2.gz	VCONXESCSCDNEX-LLCTXKFZSA-N	-1	0	358.354	2.004	20	10		FECDRM
C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(N2CCOCC2)cc1	ZINC000827710044	601280326	/nfs/dbraw/zinc/28/03/26/601280326.db2.gz	KYWNSFLOZHYQGO-CYBMUJFWSA-N	-1	0	355.394	2.107	20	10		FECDRM
Cc1cc(C(=O)CN2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000832909817	601561643	/nfs/dbraw/zinc/56/16/43/601561643.db2.gz	JRQHPYNYBIJWKC-GOSISDBHSA-N	-1	0	356.422	2.371	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)c(C)n1-c1ccccc1	ZINC000832860017	601569430	/nfs/dbraw/zinc/56/94/30/601569430.db2.gz	XIQDFYZUGKVLCF-QGZVFWFLSA-N	-1	0	356.422	2.452	20	10		FECDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000739226129	602132678	/nfs/dbraw/zinc/13/26/78/602132678.db2.gz	BJSZAUDKDCFERH-YOEHRIQHSA-N	-1	0	363.458	2.416	20	10		FECDRM
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738979574	602148654	/nfs/dbraw/zinc/14/86/54/602148654.db2.gz	NINDVPVLFVHMRI-GXTWGEPZSA-N	-1	0	366.437	2.469	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)NCC[C@H](C)NC(=O)[O-])CC2)cc1	ZINC000739908035	602559429	/nfs/dbraw/zinc/55/94/29/602559429.db2.gz	FBIKUEFBQBKASK-ZDUSSCGKSA-N	-1	0	364.446	2.009	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000739709659	602830502	/nfs/dbraw/zinc/83/05/02/602830502.db2.gz	INZPHCYZQBFQPY-KRWDZBQOSA-N	-1	0	361.442	2.014	20	10		FECDRM
O=C([O-])N1CCCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740446367	602839209	/nfs/dbraw/zinc/83/92/09/602839209.db2.gz	DNYUWMYYOPZYFQ-INIZCTEOSA-N	-1	0	358.442	2.395	20	10		FECDRM
COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1	ZINC000739965074	602885770	/nfs/dbraw/zinc/88/57/70/602885770.db2.gz	CHEZRIXQRQPOMW-KRWDZBQOSA-N	-1	0	357.410	2.386	20	10		FECDRM
CCn1nc(C)cc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827718212	603024980	/nfs/dbraw/zinc/02/49/80/603024980.db2.gz	XFJFKSSDSMTMCH-OAHLLOKOSA-N	-1	0	359.430	2.016	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1	ZINC000739907323	603151758	/nfs/dbraw/zinc/15/17/58/603151758.db2.gz	AMFSTBFBBIUQJQ-LSDHHAIUSA-N	-1	0	361.442	2.170	20	10		FECDRM
O=C([O-])N1CCC[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000831335079	603356818	/nfs/dbraw/zinc/35/68/18/603356818.db2.gz	PPVHBHZDEOQVLN-INIZCTEOSA-N	-1	0	363.483	2.389	20	10		FECDRM
CN(CC(C)(C)CNC(=O)[O-])C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000828141988	603532147	/nfs/dbraw/zinc/53/21/47/603532147.db2.gz	GWTWTDMJOLUFEG-UHFFFAOYSA-N	-1	0	360.458	2.498	20	10		FECDRM
COC(=O)/C=C\c1ccc(N(C)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000828648210	603885570	/nfs/dbraw/zinc/88/55/70/603885570.db2.gz	TWWKPZVNUQCHNH-XQRVVYSFSA-N	-1	0	363.370	2.360	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)NCC(C)(C)NC(=O)[O-])CC2)cc1	ZINC000829423603	604104472	/nfs/dbraw/zinc/10/44/72/604104472.db2.gz	HUZFQHNWEXNAOL-UHFFFAOYSA-N	-1	0	364.446	2.009	20	10		FECDRM
Cc1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c(C)n1-c1ccccn1	ZINC000832860006	604438379	/nfs/dbraw/zinc/43/83/79/604438379.db2.gz	TZDCMTNBRFSYFG-INIZCTEOSA-N	-1	0	359.426	2.439	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1	ZINC000833733912	604508363	/nfs/dbraw/zinc/50/83/63/604508363.db2.gz	VKCJFJYYLDLXDM-QMMMGPOBSA-N	-1	0	355.368	2.040	20	10		FECDRM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1O	ZINC000823628421	604611700	/nfs/dbraw/zinc/61/17/00/604611700.db2.gz	PKMWXDPCHCJUSG-YMTOWFKASA-N	-1	0	356.806	2.105	20	10		FECDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1F	ZINC000833145107	604815583	/nfs/dbraw/zinc/81/55/83/604815583.db2.gz	DMXOJVPVPPSNDQ-UHFFFAOYSA-N	-1	0	358.369	2.291	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1	ZINC000833733923	605033968	/nfs/dbraw/zinc/03/39/68/605033968.db2.gz	VTKIMEIGPMYWCN-NSHDSACASA-N	-1	0	365.407	2.447	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)cc1F	ZINC000828067815	605385289	/nfs/dbraw/zinc/38/52/89/605385289.db2.gz	NMZGGUQIDSKBHU-AWEZNQCLSA-N	-1	0	364.421	2.318	20	10		FECDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000824292226	605667542	/nfs/dbraw/zinc/66/75/42/605667542.db2.gz	PMNYCSXOYWHSOF-PBHICJAKSA-N	-1	0	363.458	2.383	20	10		FECDRM
Cc1cc(Br)cc(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1O	ZINC000833897377	605994436	/nfs/dbraw/zinc/99/44/36/605994436.db2.gz	JHLCGOCGNNWRBK-GXFFZTMASA-N	-1	0	373.247	2.320	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	ZINC000023389593	670048114	/nfs/dbraw/zinc/04/81/14/670048114.db2.gz	XFUZNNVDTYGOTI-UHFFFAOYSA-N	-1	0	352.324	2.133	20	10		FECDRM
Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1C(N)=O	ZINC000074174205	670515757	/nfs/dbraw/zinc/51/57/57/670515757.db2.gz	KTVWKGCPRMPKEI-UHFFFAOYSA-N	-1	0	362.436	2.048	20	10		FECDRM
Cn1c2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2[nH]c1=O	ZINC000573548362	671135570	/nfs/dbraw/zinc/13/55/70/671135570.db2.gz	IKFGPXPKMXJXQY-UHFFFAOYSA-N	-1	0	361.408	2.084	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F	ZINC000184968200	672514464	/nfs/dbraw/zinc/51/44/64/672514464.db2.gz	QZRSLEOQHQAMIP-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1	ZINC000194367636	672757957	/nfs/dbraw/zinc/75/79/57/672757957.db2.gz	WTQOAHASIDAVRG-ZANVPECISA-N	-1	0	362.348	2.281	20	10		FECDRM
COc1ccc(-c2csc([N-]S(=O)(=O)c3ccn(C)n3)n2)cc1	ZINC000727241740	673162749	/nfs/dbraw/zinc/16/27/49/673162749.db2.gz	CTVRWSXEMZISSH-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
O=C(C[C@H]1CCCS1(=O)=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000822948910	675518824	/nfs/dbraw/zinc/51/88/24/675518824.db2.gz	BOCOVAIRPBZZSP-SNVBAGLBSA-N	-1	0	352.239	2.283	20	10		FECDRM
COC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1F	ZINC000765084738	680830370	/nfs/dbraw/zinc/83/03/70/680830370.db2.gz	YGALHMDREMBJQC-UHFFFAOYSA-N	-1	0	366.330	2.341	20	10		FECDRM
CCn1ncc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840732103	680839748	/nfs/dbraw/zinc/83/97/48/680839748.db2.gz	TWKBKVKYPJYVMW-DHZHZOJOSA-N	-1	0	354.457	2.144	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1	ZINC000769518172	680985797	/nfs/dbraw/zinc/98/57/97/680985797.db2.gz	WJELGUSXQIEUNW-UHFFFAOYSA-N	-1	0	358.778	2.108	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1	ZINC000844215270	681045043	/nfs/dbraw/zinc/04/50/43/681045043.db2.gz	GLJQSIQYJQOCSO-ONJOJOEASA-N	-1	0	360.288	2.442	20	10		FECDRM
NS(=O)(=O)CCCCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000846159722	681192218	/nfs/dbraw/zinc/19/22/18/681192218.db2.gz	JEORNUSGNYDAJV-UHFFFAOYSA-N	-1	0	369.270	2.164	20	10		FECDRM
COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000775285747	681291762	/nfs/dbraw/zinc/29/17/62/681291762.db2.gz	AIQWOYFWSANMMS-UHFFFAOYSA-N	-1	0	351.380	2.413	20	10		FECDRM
C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)ccc2O1	ZINC000775285788	681291895	/nfs/dbraw/zinc/29/18/95/681291895.db2.gz	CBAAVCUERLJOML-SECBINFHSA-N	-1	0	350.352	2.425	20	10		FECDRM
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775285783	681292109	/nfs/dbraw/zinc/29/21/09/681292109.db2.gz	BWHQYRPLASSZDI-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
COCCc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775287596	681292880	/nfs/dbraw/zinc/29/28/80/681292880.db2.gz	DKPXMIZPDGKRED-UHFFFAOYSA-N	-1	0	352.368	2.290	20	10		FECDRM
CN1Cc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2NC1=O	ZINC000775293779	681294338	/nfs/dbraw/zinc/29/43/38/681294338.db2.gz	FHIAPWDYEMCVCT-UHFFFAOYSA-N	-1	0	359.367	2.001	20	10		FECDRM
C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)[O-]	ZINC000780598155	681847794	/nfs/dbraw/zinc/84/77/94/681847794.db2.gz	HUBQKMQDTQCBTF-GHMZBOCLSA-N	-1	0	357.357	2.029	20	10		FECDRM
COCCN(Cc1ccnn1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000787333029	682451391	/nfs/dbraw/zinc/45/13/91/682451391.db2.gz	URKARWWNBAUGSF-UHFFFAOYSA-N	-1	0	354.794	2.336	20	10		FECDRM
Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c(C)n1-c1cccc(Cl)c1	ZINC000790080477	682655405	/nfs/dbraw/zinc/65/54/05/682655405.db2.gz	YPMKCIJJIYVJHV-UHFFFAOYSA-N	-1	0	360.801	2.396	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1csc(C(=O)OC)c1	ZINC000790409359	682674504	/nfs/dbraw/zinc/67/45/04/682674504.db2.gz	OISWKASVKODCLY-UHFFFAOYSA-N	-1	0	357.409	2.440	20	10		FECDRM
COC(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C(=O)OC)C1	ZINC000792174364	682794061	/nfs/dbraw/zinc/79/40/61/682794061.db2.gz	UDCPGLKQZBPKDP-SKDRFNHKSA-N	-1	0	359.781	2.111	20	10		FECDRM
CO[C@@H](CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1)C1CCCC1	ZINC000857224934	682866638	/nfs/dbraw/zinc/86/66/38/682866638.db2.gz	AGXDMOYWODIUMJ-LBPRGKRZSA-N	-1	0	356.473	2.143	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000860047983	683194390	/nfs/dbraw/zinc/19/43/90/683194390.db2.gz	OBOGLBBSKRKRJV-UHFFFAOYSA-N	-1	0	356.300	2.436	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)ccc1O	ZINC000797820212	683276262	/nfs/dbraw/zinc/27/62/62/683276262.db2.gz	LQCTYFOTILSXMW-UHFFFAOYSA-N	-1	0	357.359	2.358	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1O	ZINC000797820475	683276795	/nfs/dbraw/zinc/27/67/95/683276795.db2.gz	ZHUGKGHFWCBADL-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1C[C@@H]2C[C@@H]2C1	ZINC000862555243	683600781	/nfs/dbraw/zinc/60/07/81/683600781.db2.gz	JLFXEMWPUQUXPI-PHIMTYICSA-N	-1	0	364.448	2.346	20	10		FECDRM
O=C([O-])COc1ccc(C=C2SC(=S)NC2=O)cc1Br	ZINC000864009243	683797422	/nfs/dbraw/zinc/79/74/22/683797422.db2.gz	GWEHDCSUPVMPDH-RUDMXATFSA-N	-1	0	374.237	2.401	20	10		FECDRM
C[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000872840577	685023260	/nfs/dbraw/zinc/02/32/60/685023260.db2.gz	SJDMSLSHFLLFCY-ZDUSSCGKSA-N	-1	0	366.483	2.297	20	10		FECDRM
Cc1nn(C)c(C)c1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911353628	685202034	/nfs/dbraw/zinc/20/20/34/685202034.db2.gz	KXUPGKKLZHTJJY-UHFFFAOYSA-N	-1	0	365.817	2.052	20	10		FECDRM
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000877419150	686373929	/nfs/dbraw/zinc/37/39/29/686373929.db2.gz	NZGICETWFFUGKV-GFCCVEGCSA-N	-1	0	358.385	2.396	20	10		FECDRM
O=S1(=O)C[C@@H]2CCN(Cc3cccc(Br)c3[O-])C[C@@H]2C1	ZINC000877789539	686460713	/nfs/dbraw/zinc/46/07/13/686460713.db2.gz	BSRTYVIYZWIJEX-NWDGAFQWSA-N	-1	0	360.273	2.021	20	10		FECDRM
COC(=O)[C@@H](NCc1cc(Br)cc(F)c1[O-])c1ccnn1C	ZINC000895083415	689656729	/nfs/dbraw/zinc/65/67/29/689656729.db2.gz	GBHTVTWGQHZWKP-LBPRGKRZSA-N	-1	0	372.194	2.031	20	10		FECDRM
CCS(=O)(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000195163828	548587282	/nfs/dbraw/zinc/58/72/82/548587282.db2.gz	YKQKXENYRYDFFJ-UHFFFAOYSA-N	-1	0	362.835	2.353	20	10		FECDRM
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837721	674431415	/nfs/dbraw/zinc/43/14/15/674431415.db2.gz	BQCXVWVFFGJWEO-QMMMGPOBSA-N	-1	0	350.223	2.264	20	10		FECDRM
CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1	ZINC000808115069	674442068	/nfs/dbraw/zinc/44/20/68/674442068.db2.gz	MZTUFTXJLCOYBS-UHFFFAOYSA-N	-1	0	358.778	2.345	20	10		FECDRM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCNC(=O)[O-])cc1	ZINC000737376459	599753137	/nfs/dbraw/zinc/75/31/37/599753137.db2.gz	FACGIRLTZBSESA-KRWDZBQOSA-N	-1	0	363.458	2.308	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	ZINC000739622419	600241127	/nfs/dbraw/zinc/24/11/27/600241127.db2.gz	BBMUAQQYMVDUFY-IZPAUZPXSA-N	-1	0	359.382	2.284	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)ccc21	ZINC000737517068	600350799	/nfs/dbraw/zinc/35/07/99/600350799.db2.gz	HETKFFRURYUZMF-MRXNPFEDSA-N	-1	0	357.454	2.465	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000738402394	600639398	/nfs/dbraw/zinc/63/93/98/600639398.db2.gz	RCBDTIONKPSZBJ-UHFFFAOYSA-N	-1	0	354.453	2.299	20	10		FECDRM
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000826951480	600719581	/nfs/dbraw/zinc/71/95/81/600719581.db2.gz	KEEGCLUCSMLQKC-UHFFFAOYSA-N	-1	0	365.455	2.378	20	10		FECDRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c[nH]1	ZINC000833304777	600726990	/nfs/dbraw/zinc/72/69/90/600726990.db2.gz	KMIFINGEZDYFGC-UHFFFAOYSA-N	-1	0	363.439	2.182	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1F	ZINC000761289889	600743318	/nfs/dbraw/zinc/74/33/18/600743318.db2.gz	IPDFJYQYCDTLFY-UHFFFAOYSA-N	-1	0	369.418	2.177	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000663103225	600955432	/nfs/dbraw/zinc/95/54/32/600955432.db2.gz	XWKQUAPFUBXWJE-UHFFFAOYSA-N	-1	0	356.378	2.255	20	10		FECDRM
CC(C)OCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000827031044	600985913	/nfs/dbraw/zinc/98/59/13/600985913.db2.gz	QUNTUKICDNKBLW-XQRVVYSFSA-N	-1	0	363.414	2.240	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000830644137	600989376	/nfs/dbraw/zinc/98/93/76/600989376.db2.gz	RYIXAEYTWOOEIR-UHFFFAOYSA-N	-1	0	362.407	2.039	20	10		FECDRM
Cn1cc(C[C@H]2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C2)cn1	ZINC000833045500	601200860	/nfs/dbraw/zinc/20/08/60/601200860.db2.gz	YGRDPMJMTNCTND-LYKUJDHUSA-N	-1	0	356.382	2.495	20	10		FECDRM
CC1=CC(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)=S=C1C(=O)[O-]	ZINC000832896444	601251741	/nfs/dbraw/zinc/25/17/41/601251741.db2.gz	WJGKWKBVCWEJNW-UHFFFAOYSA-N	-1	0	369.402	2.424	20	10		FECDRM
Cn1cc([C@@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833044292	601254323	/nfs/dbraw/zinc/25/43/23/601254323.db2.gz	VCONXESCSCDNEX-WMHVBEDNSA-N	-1	0	358.354	2.004	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000828361858	601651483	/nfs/dbraw/zinc/65/14/83/601651483.db2.gz	KZSXGTGNEPTBMG-BBRMVZONSA-N	-1	0	363.483	2.102	20	10		FECDRM
COCCc1noc(CN(C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1	ZINC000831795851	602089947	/nfs/dbraw/zinc/08/99/47/602089947.db2.gz	OKTZPVPWXHEGEU-UHFFFAOYSA-N	-1	0	371.393	2.448	20	10		FECDRM
C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000827295123	602102130	/nfs/dbraw/zinc/10/21/30/602102130.db2.gz	DOESDVRFZWWCCK-NSHDSACASA-N	-1	0	374.359	2.269	20	10		FECDRM
CC(C)N(CCCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000738845737	602418295	/nfs/dbraw/zinc/41/82/95/602418295.db2.gz	IDOXRZVJHMQGPU-UHFFFAOYSA-N	-1	0	354.426	2.469	20	10		FECDRM
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2)CC1	ZINC000739109866	602630182	/nfs/dbraw/zinc/63/01/82/602630182.db2.gz	SPLRQMRKAUSXOS-INIZCTEOSA-N	-1	0	360.458	2.474	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1NC(=O)[O-]	ZINC000739141598	602936363	/nfs/dbraw/zinc/93/63/63/602936363.db2.gz	PUFHPNVLHRSWBL-XJKSGUPXSA-N	-1	0	360.458	2.257	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)c1	ZINC000739926120	602979396	/nfs/dbraw/zinc/97/93/96/602979396.db2.gz	ZKHFCQUFGZHMJB-NWDGAFQWSA-N	-1	0	351.403	2.294	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nccn3c2)NC(=O)[O-])cc1	ZINC000828064623	603029729	/nfs/dbraw/zinc/02/97/29/603029729.db2.gz	UWTGECINVSODLA-MRXNPFEDSA-N	-1	0	367.409	2.139	20	10		FECDRM
Cc1cc(C)n(CCC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830017432	603031584	/nfs/dbraw/zinc/03/15/84/603031584.db2.gz	NPJODYGDOQAQET-QGZVFWFLSA-N	-1	0	373.457	2.081	20	10		FECDRM
O=C([O-])N(CC(=O)NCc1ccc(N2CCSCC2)cc1)CC1CC1	ZINC000831463736	603356573	/nfs/dbraw/zinc/35/65/73/603356573.db2.gz	AHQLWBLSQUKXCS-UHFFFAOYSA-N	-1	0	363.483	2.246	20	10		FECDRM
O=C([O-])N[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000832270160	603494260	/nfs/dbraw/zinc/49/42/60/603494260.db2.gz	OKFCWUHJXJZSSH-GJZGRUSLSA-N	-1	0	363.483	2.292	20	10		FECDRM
C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825082910	603521676	/nfs/dbraw/zinc/52/16/76/603521676.db2.gz	OXBYRPACAOCPNI-CWRNSKLLSA-N	-1	0	361.442	2.137	20	10		FECDRM
CCN(Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1)C(=O)[O-]	ZINC000827166212	603707689	/nfs/dbraw/zinc/70/76/89/603707689.db2.gz	AJKRSSDRLNVGCR-UHFFFAOYSA-N	-1	0	371.393	2.147	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000829484970	603857511	/nfs/dbraw/zinc/85/75/11/603857511.db2.gz	ZEXIUYOKLPVDKB-MISXGVKJSA-N	-1	0	351.403	2.197	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCc3n[nH]cc32)NC(=O)[O-])cc1	ZINC000828055029	603993868	/nfs/dbraw/zinc/99/38/68/603993868.db2.gz	BUNFPYGQNVHTHZ-PBHICJAKSA-N	-1	0	371.441	2.021	20	10		FECDRM
CN(C[C@H]1CCCN1C(=O)NCCCSc1nccs1)C(=O)[O-]	ZINC000828198404	604337141	/nfs/dbraw/zinc/33/71/41/604337141.db2.gz	HUGSHWQRRHCHIH-LLVKDONJSA-N	-1	0	358.489	2.409	20	10		FECDRM
O=C([O-])NC1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	ZINC000832181207	604430186	/nfs/dbraw/zinc/43/01/86/604430186.db2.gz	ZGRZOHWSZXYZOA-UHFFFAOYSA-N	-1	0	350.330	2.201	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000833733987	605034161	/nfs/dbraw/zinc/03/41/61/605034161.db2.gz	YACYANRXUIOHIL-SNVBAGLBSA-N	-1	0	351.380	2.139	20	10		FECDRM
CCCN(Cc1ccccc1O)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000826911565	605288326	/nfs/dbraw/zinc/28/83/26/605288326.db2.gz	AWBKKVYVCLEISN-OAHLLOKOSA-N	-1	0	350.415	2.290	20	10		FECDRM
O=C([O-])N1CCSC[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831414476	605322075	/nfs/dbraw/zinc/32/20/75/605322075.db2.gz	ORPRXNCBGKDGLG-CYBMUJFWSA-N	-1	0	364.467	2.373	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC[C@@H]1CCS(=O)(=O)C1	ZINC000834247857	605596720	/nfs/dbraw/zinc/59/67/20/605596720.db2.gz	SSHVRFKFRNIPOS-CYBMUJFWSA-N	-1	0	352.456	2.032	20	10		FECDRM
O=C([O-])N1CC(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	ZINC000834067949	605774609	/nfs/dbraw/zinc/77/46/09/605774609.db2.gz	PBUDTIIIVQBXSN-UHFFFAOYSA-N	-1	0	359.382	2.307	20	10		FECDRM
O=C([O-])Nc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000834267445	605804846	/nfs/dbraw/zinc/80/48/46/605804846.db2.gz	XZXZKHWGKLJQHH-UHFFFAOYSA-N	-1	0	369.421	2.472	20	10		FECDRM
O=C(C[C@@H]1CSCCN1C(=O)[O-])NCc1ccc(N2CCCC2)cc1	ZINC000831414573	605806825	/nfs/dbraw/zinc/80/68/25/605806825.db2.gz	QDUBEUWYUJDPET-MRXNPFEDSA-N	-1	0	363.483	2.389	20	10		FECDRM
O=C([C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-])N1CCOCC1	ZINC000816502841	675060580	/nfs/dbraw/zinc/06/05/80/675060580.db2.gz	SGMVKQQONNLEQG-OAHLLOKOSA-N	-1	0	356.825	2.398	20	10		FECDRM
Cc1nsc(N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1	ZINC000093663428	670755056	/nfs/dbraw/zinc/75/50/56/670755056.db2.gz	KXURUVXBBZGBLZ-UHFFFAOYSA-N	-1	0	369.834	2.436	20	10		FECDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3ccc(F)cc3C2)c1	ZINC000162603212	672305194	/nfs/dbraw/zinc/30/51/94/672305194.db2.gz	RFWDORVUDGGZSL-UHFFFAOYSA-N	-1	0	364.398	2.101	20	10		FECDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)cc1	ZINC000183181268	672462048	/nfs/dbraw/zinc/46/20/48/672462048.db2.gz	CLYYVXBVHFGSDY-UHFFFAOYSA-N	-1	0	374.447	2.366	20	10		FECDRM
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1OC	ZINC000326742009	673054833	/nfs/dbraw/zinc/05/48/33/673054833.db2.gz	JRLYHQYQECRFDG-UHFFFAOYSA-N	-1	0	367.379	2.217	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	ZINC000327495826	673060735	/nfs/dbraw/zinc/06/07/35/673060735.db2.gz	PFIYCUNSSLPVBQ-RQOWECAXSA-N	-1	0	359.304	2.377	20	10		FECDRM
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CCN12	ZINC000708211001	673065217	/nfs/dbraw/zinc/06/52/17/673065217.db2.gz	JPHHCTLQGLVWIR-SNVBAGLBSA-N	-1	0	360.639	2.018	20	10		FECDRM
O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1ccc(-n2cnnn2)cc1	ZINC000727251586	673162782	/nfs/dbraw/zinc/16/27/82/673162782.db2.gz	YPROLMQNXYLNOR-UHFFFAOYSA-N	-1	0	374.407	2.180	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1	ZINC000733718806	673435106	/nfs/dbraw/zinc/43/51/06/673435106.db2.gz	CUAUUVFEMBIKEC-MRXNPFEDSA-N	-1	0	362.451	2.251	20	10		FECDRM
COc1ccc(OCCS(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1	ZINC000766047052	680864263	/nfs/dbraw/zinc/86/42/63/680864263.db2.gz	CXIIECNHMCNRKQ-UHFFFAOYSA-N	-1	0	365.407	2.424	20	10		FECDRM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047523	680864145	/nfs/dbraw/zinc/86/41/45/680864145.db2.gz	KVUXJXZGIQOQAD-UHFFFAOYSA-N	-1	0	367.379	2.338	20	10		FECDRM
O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1cc(F)cc(F)c1[O-]	ZINC000753018326	680270877	/nfs/dbraw/zinc/27/08/77/680270877.db2.gz	MBDCMVVRIDBILP-UHFFFAOYSA-N	-1	0	352.322	2.052	20	10		FECDRM
CS(=O)(=O)[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844220309	681045394	/nfs/dbraw/zinc/04/53/94/681045394.db2.gz	YXDBXBBORDYYSQ-IYNGYCSASA-N	-1	0	368.411	2.096	20	10		FECDRM
COc1cc(C)c(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000775286566	681292389	/nfs/dbraw/zinc/29/23/89/681292389.db2.gz	XOUNQUGKWCQDNE-UHFFFAOYSA-N	-1	0	368.367	2.427	20	10		FECDRM
O=[N+]([O-])c1cc(NS(=O)(=O)CCOc2ccc(F)cc2)ccc1[O-]	ZINC000775287984	681293073	/nfs/dbraw/zinc/29/30/73/681293073.db2.gz	GXKJSTOUHUIFOQ-UHFFFAOYSA-N	-1	0	356.331	2.260	20	10		FECDRM
CC[C@H](C)NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775649077	681321239	/nfs/dbraw/zinc/32/12/39/681321239.db2.gz	KNCHTIZXXHJILN-LBPRGKRZSA-N	-1	0	357.857	2.217	20	10		FECDRM
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000776747905	681433103	/nfs/dbraw/zinc/43/31/03/681433103.db2.gz	QOUDSCHEASQYPX-UHFFFAOYSA-N	-1	0	356.787	2.336	20	10		FECDRM
CCOC(=O)c1c(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)sc2c1CCC2	ZINC000849181292	681663859	/nfs/dbraw/zinc/66/38/59/681663859.db2.gz	LNQYHDIPMCLFNB-KRWDZBQOSA-N	-1	0	367.423	2.233	20	10		FECDRM
CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2C1	ZINC000849307800	681682352	/nfs/dbraw/zinc/68/23/52/681682352.db2.gz	GTVPNCODLNYTID-UHFFFAOYSA-N	-1	0	366.464	2.468	20	10		FECDRM
COc1cc(S(=O)(=O)Nc2ccc(O)cc2F)cc(C(=O)[O-])c1OC	ZINC000780838337	681876186	/nfs/dbraw/zinc/87/61/86/681876186.db2.gz	TYBQKTIWOCDCCR-UHFFFAOYSA-N	-1	0	371.342	2.048	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2ncc(C)s2)cc1	ZINC000853005374	682363323	/nfs/dbraw/zinc/36/33/23/682363323.db2.gz	HQQLWFWWKKXLDZ-LBPRGKRZSA-N	-1	0	363.439	2.229	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000790409909	682674492	/nfs/dbraw/zinc/67/44/92/682674492.db2.gz	WFDFVBCJPPIKIN-UHFFFAOYSA-N	-1	0	357.409	2.440	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1sc(NC(C)=O)nc1C	ZINC000790411246	682674653	/nfs/dbraw/zinc/67/46/53/682674653.db2.gz	HRUKXZCOWVQRGI-UHFFFAOYSA-N	-1	0	371.440	2.315	20	10		FECDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)o1	ZINC000790411290	682674815	/nfs/dbraw/zinc/67/48/15/682674815.db2.gz	JOLZYLAMEPGHGX-UHFFFAOYSA-N	-1	0	355.368	2.361	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cnc1C	ZINC000793414303	682887562	/nfs/dbraw/zinc/88/75/62/682887562.db2.gz	CTTZMSOXUQTPKC-UHFFFAOYSA-N	-1	0	356.787	2.336	20	10		FECDRM
O=C(NCc1cccc(Br)c1O)NCC1CC2(C1)OCCO2	ZINC000927089305	683206339	/nfs/dbraw/zinc/20/63/39/683206339.db2.gz	LTZHDWHBGXGRAB-UHFFFAOYSA-N	-1	0	371.231	2.107	20	10		FECDRM
Cn1cc(N2CCN(Cc3c(O)cccc3Br)CC2)cn1	ZINC000862245720	683557984	/nfs/dbraw/zinc/55/79/84/683557984.db2.gz	VQPACIBQHBYGFZ-UHFFFAOYSA-N	-1	0	351.248	2.210	20	10		FECDRM
COc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000872341428	684938447	/nfs/dbraw/zinc/93/84/47/684938447.db2.gz	SGQAHEOFJFNYHT-UHFFFAOYSA-N	-1	0	366.414	2.472	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)Cc2ccsc2)cc1	ZINC000872909465	685032628	/nfs/dbraw/zinc/03/26/28/685032628.db2.gz	BBWYNXPBEIAFJF-ZDUSSCGKSA-N	-1	0	362.451	2.395	20	10		FECDRM
COC(=O)[C@@H](Cc1cncs1)NCc1cccc(Br)c1[O-]	ZINC000877800009	686465855	/nfs/dbraw/zinc/46/58/55/686465855.db2.gz	AUQBAISYFRORDY-GFCCVEGCSA-N	-1	0	371.256	2.485	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1O	ZINC000879763814	686903612	/nfs/dbraw/zinc/90/36/12/686903612.db2.gz	HTGHHUIMNYOGIZ-OAHLLOKOSA-N	-1	0	362.323	2.377	20	10		FECDRM
CC(=O)c1cn(C2CN(Cc3cc(Br)cc(F)c3[O-])C2)nn1	ZINC000897941084	690105101	/nfs/dbraw/zinc/10/51/01/690105101.db2.gz	MTSCUAJMTJSDSW-UHFFFAOYSA-N	-1	0	369.194	2.145	20	10		FECDRM
O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000019101602	539651752	/nfs/dbraw/zinc/65/17/52/539651752.db2.gz	YJCRGJKJIAEUEU-UHFFFAOYSA-N	-1	0	374.447	2.384	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@H](C)c3nnn[n-]3)c2C)cc1	ZINC000183433856	547658186	/nfs/dbraw/zinc/65/81/86/547658186.db2.gz	ABPGNOUDLSNDDD-LBPRGKRZSA-N	-1	0	368.441	2.492	20	10		FECDRM
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)CC1	ZINC000263442897	549901918	/nfs/dbraw/zinc/90/19/18/549901918.db2.gz	QERUOAWETYELQL-UHFFFAOYSA-N	-1	0	367.405	2.306	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C	ZINC000276788247	550596055	/nfs/dbraw/zinc/59/60/55/550596055.db2.gz	CNRZFKCKCWLPRJ-UHFFFAOYSA-N	-1	0	362.411	2.182	20	10		FECDRM
COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)nn1	ZINC000293535203	552833076	/nfs/dbraw/zinc/83/30/76/552833076.db2.gz	FIYKWNWTSZDIQJ-UHFFFAOYSA-N	-1	0	368.796	2.400	20	10		FECDRM
O=C(NCc1ccccc1CN1CCCC1=O)c1c(F)ccc(O)c1O	ZINC000294792442	552934651	/nfs/dbraw/zinc/93/46/51/552934651.db2.gz	HQWIVWGOAVMWIQ-UHFFFAOYSA-N	-1	0	358.369	2.289	20	10		FECDRM
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000294846554	552938370	/nfs/dbraw/zinc/93/83/70/552938370.db2.gz	ZMROXBIMIBEDRW-NSHDSACASA-N	-1	0	350.843	2.041	20	10		FECDRM
O=C(NCC1CCN(CC(F)(F)F)CC1)c1c(F)ccc(O)c1O	ZINC000295349302	552991941	/nfs/dbraw/zinc/99/19/41/552991941.db2.gz	QOJIUFZEESOZFF-UHFFFAOYSA-N	-1	0	350.312	2.241	20	10		FECDRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@@H](C(F)F)C1	ZINC000366474132	555854175	/nfs/dbraw/zinc/85/41/75/555854175.db2.gz	OBFOSLCMJCVYJH-LLVKDONJSA-N	-1	0	372.368	2.424	20	10		FECDRM
COCc1nc([C@H]2COCCN2Cc2c([O-])ccc(Cl)c2F)no1	ZINC000370622085	556923488	/nfs/dbraw/zinc/92/34/88/556923488.db2.gz	KQNDIKRLCXBRBA-LLVKDONJSA-N	-1	0	357.769	2.288	20	10		FECDRM
COc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccn1	ZINC000807512018	674418335	/nfs/dbraw/zinc/41/83/35/674418335.db2.gz	IEBMISYYPHQBPD-UHFFFAOYSA-N	-1	0	370.192	2.358	20	10		FECDRM
C[C@]1(CCCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])NC(=O)NC1=O	ZINC000807837942	674431241	/nfs/dbraw/zinc/43/12/41/674431241.db2.gz	HKGKNLRIFNFXKP-OAHLLOKOSA-N	-1	0	374.224	2.084	20	10		FECDRM
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836156	674431294	/nfs/dbraw/zinc/43/12/94/674431294.db2.gz	PNZVDUWUOMIVIY-UHFFFAOYSA-N	-1	0	372.164	2.085	20	10		FECDRM
O=C([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)o1	ZINC000740176620	599776231	/nfs/dbraw/zinc/77/62/31/599776231.db2.gz	KYNXFMWRERAUMF-UHFFFAOYSA-N	-1	0	364.423	2.447	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000739627731	599923103	/nfs/dbraw/zinc/92/31/03/599923103.db2.gz	ZEXVKANRYDYHEL-YVZNUBBCSA-N	-1	0	357.370	2.201	20	10		FECDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccccc2C)c1C	ZINC000737609724	600010600	/nfs/dbraw/zinc/01/06/00/600010600.db2.gz	FFWJGEZBMFEOHS-UHFFFAOYSA-N	-1	0	358.394	2.102	20	10		FECDRM
C[C@@H]1[C@H](C)N(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCS1(=O)=O	ZINC000736749516	600205312	/nfs/dbraw/zinc/20/53/12/600205312.db2.gz	ZNXIONLDQIVSDY-NWDGAFQWSA-N	-1	0	363.435	2.251	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1	ZINC000739622421	600241117	/nfs/dbraw/zinc/24/11/17/600241117.db2.gz	BBMUAQQYMVDUFY-OWNNVSBGSA-N	-1	0	359.382	2.284	20	10		FECDRM
Cn1cc([C@@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833044289	601254110	/nfs/dbraw/zinc/25/41/10/601254110.db2.gz	VCONXESCSCDNEX-IMMZDGJCSA-N	-1	0	358.354	2.004	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(C(=O)[O-])CC2)c1	ZINC000739924550	602419581	/nfs/dbraw/zinc/41/95/81/602419581.db2.gz	BKOIIJBBUJPZMJ-LLVKDONJSA-N	-1	0	351.403	2.151	20	10		FECDRM
C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000739022146	602506405	/nfs/dbraw/zinc/50/64/05/602506405.db2.gz	SUYTWOWAYZFKLU-PBHICJAKSA-N	-1	0	361.442	2.233	20	10		FECDRM
CN(Cc1ccco1)C(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739713956	602654465	/nfs/dbraw/zinc/65/44/65/602654465.db2.gz	HUVDMTKBGFYYID-UHFFFAOYSA-N	-1	0	357.410	2.458	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000739924975	602722662	/nfs/dbraw/zinc/72/26/62/602722662.db2.gz	GBSQCCDHKMXHNZ-VXGBXAGGSA-N	-1	0	351.403	2.151	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C)N1C(=O)[O-]	ZINC000739142835	602838513	/nfs/dbraw/zinc/83/85/13/602838513.db2.gz	SDMCUTSAORDIAU-HUUCEWRRSA-N	-1	0	358.442	2.345	20	10		FECDRM
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCc1ccc(N2CCCC2)cc1	ZINC000740365033	602846084	/nfs/dbraw/zinc/84/60/84/602846084.db2.gz	NOIZOPSFXDUCCL-QGZVFWFLSA-N	-1	0	361.442	2.062	20	10		FECDRM
COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1	ZINC000739965076	602885837	/nfs/dbraw/zinc/88/58/37/602885837.db2.gz	CHEZRIXQRQPOMW-QGZVFWFLSA-N	-1	0	357.410	2.386	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC2CCC(NC(=O)[O-])CC2)cc1F	ZINC000739618938	603103201	/nfs/dbraw/zinc/10/32/01/603103201.db2.gz	QJNYFNIJNDONIY-UHFFFAOYSA-N	-1	0	352.410	2.270	20	10		FECDRM
CN(Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1)C(=O)[O-]	ZINC000828365997	603700255	/nfs/dbraw/zinc/70/02/55/603700255.db2.gz	ONSLYTMVQQCEIF-UHFFFAOYSA-N	-1	0	371.393	2.099	20	10		FECDRM
O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000832474221	603817587	/nfs/dbraw/zinc/81/75/87/603817587.db2.gz	HAJSSWCLBBCKQF-DOTOQJQBSA-N	-1	0	358.442	2.298	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1	ZINC000829483797	603885772	/nfs/dbraw/zinc/88/57/72/603885772.db2.gz	LCBDHYSFQMRWJW-ODWCKFRGSA-N	-1	0	363.414	2.434	20	10		FECDRM
COc1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(O)c1	ZINC000829284449	603931803	/nfs/dbraw/zinc/93/18/03/603931803.db2.gz	JMOKHSVCBLZVST-MRXNPFEDSA-N	-1	0	373.409	2.206	20	10		FECDRM
C[C@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1ccc(N2CCOCC2)cc1	ZINC000825100340	604123741	/nfs/dbraw/zinc/12/37/41/604123741.db2.gz	BRAGRLAEOYBKBH-AWEZNQCLSA-N	-1	0	361.442	2.281	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000825228787	604134653	/nfs/dbraw/zinc/13/46/53/604134653.db2.gz	MTEHWBVWDAENCC-JSGCOSHPSA-N	-1	0	366.437	2.469	20	10		FECDRM
O=C([O-])NC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	ZINC000832155452	604450303	/nfs/dbraw/zinc/45/03/03/604450303.db2.gz	FVSFDGPXHGAVGX-UHFFFAOYSA-N	-1	0	369.368	2.173	20	10		FECDRM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2=CC(=O)CS2)c(OC)c1	ZINC000833732553	604569948	/nfs/dbraw/zinc/56/99/48/604569948.db2.gz	UFIJJMHWNDZVPZ-GFCCVEGCSA-N	-1	0	351.380	2.417	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000829484145	604581261	/nfs/dbraw/zinc/58/12/61/604581261.db2.gz	PTKGFGYDSAQYHB-STQMWFEESA-N	-1	0	350.415	2.433	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000833733946	605034027	/nfs/dbraw/zinc/03/40/27/605034027.db2.gz	WJJKRIJHTUEDEC-MRVPVSSYSA-N	-1	0	357.409	2.200	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1	ZINC000829484304	605899736	/nfs/dbraw/zinc/89/97/36/605899736.db2.gz	RJLUBQJESIIHPT-GHMZBOCLSA-N	-1	0	354.428	2.064	20	10		FECDRM
O=C([O-])N[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740596538	605903602	/nfs/dbraw/zinc/90/36/02/605903602.db2.gz	MVBOBQRFTNZTDI-ZDUSSCGKSA-N	-1	0	356.378	2.171	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])c1	ZINC000833733488	605912516	/nfs/dbraw/zinc/91/25/16/605912516.db2.gz	IRQTZTDLHCHHLE-LLVKDONJSA-N	-1	0	372.377	2.223	20	10		FECDRM
Cc1nn(C)c(Cl)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000013459923	670006598	/nfs/dbraw/zinc/00/65/98/670006598.db2.gz	ZIWJQFYEXJHEHR-TWGQIWQCSA-N	-1	0	359.860	2.448	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F	ZINC000184968316	672514651	/nfs/dbraw/zinc/51/46/51/672514651.db2.gz	YVWQQVIXVBTRQH-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000262397674	672914706	/nfs/dbraw/zinc/91/47/06/672914706.db2.gz	NDXXAPLUXVVHHU-QGZVFWFLSA-N	-1	0	350.802	2.313	20	10		FECDRM
COc1ccc(-c2csc([N-]S(=O)(=O)c3ccnn3C)n2)cc1	ZINC000727241991	673162886	/nfs/dbraw/zinc/16/28/86/673162886.db2.gz	PWNRFEUPWWUPSY-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
COCc1nc([C@@H]2COCCN2Cc2cc(Cl)c(C)cc2O)no1	ZINC000825461824	675654108	/nfs/dbraw/zinc/65/41/08/675654108.db2.gz	ORAMBUXNFRHLMO-ZDUSSCGKSA-N	-1	0	353.806	2.457	20	10		FECDRM
Cc1nc([C@@H]2COCCN2Cc2ccc(Br)cc2O)no1	ZINC000825462026	675654185	/nfs/dbraw/zinc/65/41/85/675654185.db2.gz	XCOOMQYXYDGXLH-LBPRGKRZSA-N	-1	0	354.204	2.420	20	10		FECDRM
O=C1CSc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2N1	ZINC000765039687	680828504	/nfs/dbraw/zinc/82/85/04/680828504.db2.gz	WJSXORDPNAGBJX-UHFFFAOYSA-N	-1	0	362.392	2.068	20	10		FECDRM
O=C([O-])CCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000840992766	680858912	/nfs/dbraw/zinc/85/89/12/680858912.db2.gz	NCXKUUFLNDJXPI-HNNXBMFYSA-N	-1	0	350.415	2.338	20	10		FECDRM
O=C([O-])c1csc(CNCc2ccc(N3CCOCC3)c(F)c2)n1	ZINC000756309453	680471771	/nfs/dbraw/zinc/47/17/71/680471771.db2.gz	IKDHFOIDUREGQP-UHFFFAOYSA-N	-1	0	351.403	2.107	20	10		FECDRM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cn1	ZINC000758149049	680557704	/nfs/dbraw/zinc/55/77/04/680557704.db2.gz	SNWMWLRLQAOXGT-UHFFFAOYSA-N	-1	0	363.439	2.118	20	10		FECDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCSc1nccs1	ZINC000760332335	680683188	/nfs/dbraw/zinc/68/31/88/680683188.db2.gz	MCIZTBOAYXDHFP-UHFFFAOYSA-N	-1	0	355.407	2.199	20	10		FECDRM
Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(Br)cn1	ZINC000843325401	680998389	/nfs/dbraw/zinc/99/83/89/680998389.db2.gz	KIUSLYYCPVMSNT-VIFPVBQESA-N	-1	0	366.215	2.455	20	10		FECDRM
O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)C1	ZINC000844934401	681094063	/nfs/dbraw/zinc/09/40/63/681094063.db2.gz	MLZYRWJVAVRWAH-LLVKDONJSA-N	-1	0	370.808	2.082	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000775286690	681292598	/nfs/dbraw/zinc/29/25/98/681292598.db2.gz	LXOAEFMEVGEFKQ-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775734133	681329343	/nfs/dbraw/zinc/32/93/43/681329343.db2.gz	LAGBYGRCGMLJNK-ZDUSSCGKSA-N	-1	0	369.868	2.313	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)c1[O-]	ZINC000848561871	681579119	/nfs/dbraw/zinc/57/91/19/681579119.db2.gz	FCHQSPQELQWMHK-LLVKDONJSA-N	-1	0	353.766	2.213	20	10		FECDRM
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1	ZINC000849371185	681698396	/nfs/dbraw/zinc/69/83/96/681698396.db2.gz	RBHVBQJGRLLEOX-UHFFFAOYSA-N	-1	0	362.411	2.069	20	10		FECDRM
COCc1nc([C@H]2COCCN2Cc2cc(Cl)cc(F)c2[O-])no1	ZINC000779616313	681730717	/nfs/dbraw/zinc/73/07/17/681730717.db2.gz	PRIYGJAFVNZBJO-GFCCVEGCSA-N	-1	0	357.769	2.288	20	10		FECDRM
Cc1cc(C)cc(-n2ncc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)n2)c1	ZINC000781101047	681902077	/nfs/dbraw/zinc/90/20/77/681902077.db2.gz	RVRMNFLJQLOXPU-AWNIVKPZSA-N	-1	0	374.447	2.170	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000790411688	682674894	/nfs/dbraw/zinc/67/48/94/682674894.db2.gz	MKYVIVKBVVDULB-UHFFFAOYSA-N	-1	0	364.423	2.294	20	10		FECDRM
COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(O)c1	ZINC000795357648	683044242	/nfs/dbraw/zinc/04/42/42/683044242.db2.gz	HSMVAUWJSPTFMB-UHFFFAOYSA-N	-1	0	372.786	2.441	20	10		FECDRM
CNS(=O)(=O)c1cc(NCc2cc([N+](=O)[O-])ccc2[O-])ccc1C	ZINC000796404403	683159855	/nfs/dbraw/zinc/15/98/55/683159855.db2.gz	OVQBDCGYZQHHEA-UHFFFAOYSA-N	-1	0	351.384	2.129	20	10		FECDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc2cccnc2c1O	ZINC000862026214	683518062	/nfs/dbraw/zinc/51/80/62/683518062.db2.gz	ITBHKQBUEPLMKM-UHFFFAOYSA-N	-1	0	355.316	2.014	20	10		FECDRM
CCN(CCC(F)(F)F)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872919899	685033950	/nfs/dbraw/zinc/03/39/50/685033950.db2.gz	OABHZAUGGCGUNL-UHFFFAOYSA-N	-1	0	362.348	2.387	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC12CCOCC2	ZINC000911360826	685203120	/nfs/dbraw/zinc/20/31/20/685203120.db2.gz	YRIRSYAKDMQIQH-CYBMUJFWSA-N	-1	0	353.802	2.276	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1O	ZINC000879763812	686903746	/nfs/dbraw/zinc/90/37/46/686903746.db2.gz	HTGHHUIMNYOGIZ-HNNXBMFYSA-N	-1	0	362.323	2.377	20	10		FECDRM
COC(=O)C1(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000882196564	687322193	/nfs/dbraw/zinc/32/21/93/687322193.db2.gz	BTUHEAWTVQWXGG-UHFFFAOYSA-N	-1	0	368.238	2.214	20	10		FECDRM
O=C([O-])[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1	ZINC000852950473	939240395	/nfs/dbraw/zinc/24/03/95/939240395.db2.gz	HVJDSTRRQPFUJU-HNNXBMFYSA-N	-1	0	368.380	2.484	20	10		FECDRM
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccc2c1OCO2	ZINC000800834668	674080378	/nfs/dbraw/zinc/08/03/78/674080378.db2.gz	OUDCGMYFJFMAGN-UHFFFAOYSA-N	-1	0	362.407	2.053	20	10		FECDRM
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000092071651	542843930	/nfs/dbraw/zinc/84/39/30/542843930.db2.gz	MDOPKHDEZGVBKT-LBPRGKRZSA-N	-1	0	365.282	2.355	20	10		FECDRM
Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000161691329	546132633	/nfs/dbraw/zinc/13/26/33/546132633.db2.gz	OELSNQDOXYTABX-UHFFFAOYSA-N	-1	0	374.422	2.169	20	10		FECDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C	ZINC000274812780	550556449	/nfs/dbraw/zinc/55/64/49/550556449.db2.gz	QPZGOEGWOZFTDY-UHFFFAOYSA-N	-1	0	353.400	2.018	20	10		FECDRM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2	ZINC000281884673	551153129	/nfs/dbraw/zinc/15/31/29/551153129.db2.gz	OJJKPYPOYOCACR-JCQBEUEGSA-N	-1	0	370.449	2.250	20	10		FECDRM
O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@@H]1C1CC1	ZINC000367515994	556071631	/nfs/dbraw/zinc/07/16/31/556071631.db2.gz	ZMRQJUQLUNPMRC-SELJDSKJSA-N	-1	0	370.449	2.106	20	10		FECDRM
CCn1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807511019	674418071	/nfs/dbraw/zinc/41/80/71/674418071.db2.gz	CNMKXJKUXRCYJX-UHFFFAOYSA-N	-1	0	357.197	2.170	20	10		FECDRM
NC(=O)COc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807834353	674430979	/nfs/dbraw/zinc/43/09/79/674430979.db2.gz	KZXUHWVAUAYAKW-UHFFFAOYSA-N	-1	0	369.204	2.493	20	10		FECDRM
NC(=O)COc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000807835291	674431019	/nfs/dbraw/zinc/43/10/19/674431019.db2.gz	DHGGUEOTSUCTSS-UHFFFAOYSA-N	-1	0	369.204	2.493	20	10		FECDRM
Cc1cnn(C[C@@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)c1	ZINC000738811136	599967920	/nfs/dbraw/zinc/96/79/20/599967920.db2.gz	GFJMLCNXRUUWIA-QTLSWZBMSA-N	-1	0	372.381	2.103	20	10		FECDRM
COc1cc2c(nn1)CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000737906986	599967965	/nfs/dbraw/zinc/96/79/65/599967965.db2.gz	LAYUIJZTYJVVDO-HYXAFXHYSA-N	-1	0	356.338	2.054	20	10		FECDRM
Cc1cc(C(=O)CN2CCC[C@H](O)C2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738320550	600010357	/nfs/dbraw/zinc/01/03/57/600010357.db2.gz	ULMITPJJXLMGNU-KRWDZBQOSA-N	-1	0	356.422	2.432	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000738401703	600202820	/nfs/dbraw/zinc/20/28/20/600202820.db2.gz	FZMDVZSOHCPFLU-UHFFFAOYSA-N	-1	0	355.394	2.014	20	10		FECDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	ZINC000831067758	601278200	/nfs/dbraw/zinc/27/82/00/601278200.db2.gz	VRZAUMMZCODGDU-QGZVFWFLSA-N	-1	0	372.421	2.457	20	10		FECDRM
CO[C@@H](C)c1noc(CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000831505410	601434625	/nfs/dbraw/zinc/43/46/25/601434625.db2.gz	PNFLUCIAARMSNC-BXKUYDPTSA-N	-1	0	362.342	2.419	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)cc1	ZINC000829687015	601508602	/nfs/dbraw/zinc/50/86/02/601508602.db2.gz	DCOMQXHALVRLFJ-UHFFFAOYSA-N	-1	0	354.472	2.207	20	10		FECDRM
C[C@@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-]	ZINC000828455741	601816523	/nfs/dbraw/zinc/81/65/23/601816523.db2.gz	FWIJIJQUDNNNGM-DOMZBBRYSA-N	-1	0	355.390	2.481	20	10		FECDRM
COc1ccc(N2CCN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)cc1	ZINC000832383250	602371051	/nfs/dbraw/zinc/37/10/51/602371051.db2.gz	BZONCAGOLGTLQO-UHFFFAOYSA-N	-1	0	358.398	2.086	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740011594	602393348	/nfs/dbraw/zinc/39/33/48/602393348.db2.gz	PIXZBHWDKSHEIY-HNNXBMFYSA-N	-1	0	351.472	2.292	20	10		FECDRM
O=C([O-])N1CCCc2cc(NC(=O)C(=O)NCc3ccccc3O)ccc21	ZINC000740450110	602662082	/nfs/dbraw/zinc/66/20/82/602662082.db2.gz	KSFFFOXUNCOUPN-UHFFFAOYSA-N	-1	0	369.377	2.078	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739141063	602838563	/nfs/dbraw/zinc/83/85/63/602838563.db2.gz	NKQWUUNFBSFDAQ-RHSMWYFYSA-N	-1	0	358.442	2.250	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cnn(C)c2C2CC2)NC(=O)[O-])cc1	ZINC000828063185	603027700	/nfs/dbraw/zinc/02/77/00/603027700.db2.gz	BKZYZAVXQVLFHP-INIZCTEOSA-N	-1	0	371.441	2.102	20	10		FECDRM
Cc1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(C)n1C	ZINC000829944799	603034828	/nfs/dbraw/zinc/03/48/28/603034828.db2.gz	GBAIAMAHSWLAHR-KRWDZBQOSA-N	-1	0	358.442	2.447	20	10		FECDRM
CC(C)(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)NC(=O)[O-]	ZINC000738728607	603108516	/nfs/dbraw/zinc/10/85/16/603108516.db2.gz	BUOLKSHJCBSYQE-AWEZNQCLSA-N	-1	0	350.415	2.336	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CCC[C@@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647566	603205540	/nfs/dbraw/zinc/20/55/40/603205540.db2.gz	QHSGVTUTHZWOMO-STMXVASLSA-N	-1	0	363.370	2.360	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1F	ZINC000828069009	603856990	/nfs/dbraw/zinc/85/69/90/603856990.db2.gz	XLQXYTXBIFKXDY-TZMCWYRMSA-N	-1	0	352.410	2.127	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1	ZINC000829484972	603857696	/nfs/dbraw/zinc/85/76/96/603857696.db2.gz	ZEXIUYOKLPVDKB-MJVIPROJSA-N	-1	0	351.403	2.197	20	10		FECDRM
Cc1cc(C(=O)Cn2nnnc2CNC(=O)[O-])c(C)n1-c1ccccc1C	ZINC000830549507	604032963	/nfs/dbraw/zinc/03/29/63/604032963.db2.gz	KVUGVHVXFLBKTC-UHFFFAOYSA-N	-1	0	368.397	2.040	20	10		FECDRM
CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1	ZINC000827822259	604337182	/nfs/dbraw/zinc/33/71/82/604337182.db2.gz	JSOFQWGWCXXEIP-NSHDSACASA-N	-1	0	358.489	2.409	20	10		FECDRM
COc1cccc(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829560722	604581346	/nfs/dbraw/zinc/58/13/46/604581346.db2.gz	SYNRQYKGHYEGRO-OCCSQVGLSA-N	-1	0	350.415	2.433	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000828355203	604663008	/nfs/dbraw/zinc/66/30/08/604663008.db2.gz	JOTWLUPVMGRLHK-QGZVFWFLSA-N	-1	0	361.442	2.014	20	10		FECDRM
CCS(=O)(=O)CCN(C)Cc1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000833665034	604697087	/nfs/dbraw/zinc/69/70/87/604697087.db2.gz	CAGGMLIOLAUGJG-UHFFFAOYSA-N	-1	0	351.424	2.110	20	10		FECDRM
COc1cccc(CNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1O	ZINC000829559599	605291643	/nfs/dbraw/zinc/29/16/43/605291643.db2.gz	LSZNSGGMFTVCRJ-LBPRGKRZSA-N	-1	0	350.415	2.433	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cc1F	ZINC000828067817	605385371	/nfs/dbraw/zinc/38/53/71/605385371.db2.gz	NMZGGUQIDSKBHU-CQSZACIVSA-N	-1	0	364.421	2.318	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000828646268	605492352	/nfs/dbraw/zinc/49/23/52/605492352.db2.gz	HDZGQNRZNMVOTR-RKLVJPFCSA-N	-1	0	363.370	2.406	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H](CC(C)C)NC(=O)[O-])CC2)cc1	ZINC000738022383	605690214	/nfs/dbraw/zinc/69/02/14/605690214.db2.gz	MOYAORRGAKRWKV-KRWDZBQOSA-N	-1	0	363.458	2.463	20	10		FECDRM
O=S1(=O)CC[C@@H](N(Cc2cccc(Br)c2[O-])C2CC2)C1	ZINC000157053836	672254235	/nfs/dbraw/zinc/25/42/35/672254235.db2.gz	SBNDGLBBQFSVBP-GFCCVEGCSA-N	-1	0	360.273	2.306	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000177705134	672385727	/nfs/dbraw/zinc/38/57/27/672385727.db2.gz	RVKABVNNRRFFSK-UHFFFAOYSA-N	-1	0	365.436	2.403	20	10		FECDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000184968552	672514577	/nfs/dbraw/zinc/51/45/77/672514577.db2.gz	VEDAUYGQFCKZEO-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
CN1CCOc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc21	ZINC000192833407	672703160	/nfs/dbraw/zinc/70/31/60/672703160.db2.gz	VPXURORMQMYKAS-UHFFFAOYSA-N	-1	0	362.436	2.321	20	10		FECDRM
O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1	ZINC000322766900	673042730	/nfs/dbraw/zinc/04/27/30/673042730.db2.gz	DOYWFYIFMSWHPS-UHFFFAOYSA-N	-1	0	357.771	2.310	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000324590474	673046319	/nfs/dbraw/zinc/04/63/19/673046319.db2.gz	ILAHRQBUWYDOJX-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)o1	ZINC000730932050	673295677	/nfs/dbraw/zinc/29/56/77/673295677.db2.gz	DGGDFSZTJVEMQD-UHFFFAOYSA-N	-1	0	365.392	2.386	20	10		FECDRM
CS(=O)(=O)[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1C(F)(F)F	ZINC000826894745	675714038	/nfs/dbraw/zinc/71/40/38/675714038.db2.gz	VLMSAJPFQBIRHI-MWLCHTKSSA-N	-1	0	357.781	2.453	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cnccc2OCC)ccc1O	ZINC000840913701	680852426	/nfs/dbraw/zinc/85/24/26/680852426.db2.gz	HXVBWOUCNTVHPB-UHFFFAOYSA-N	-1	0	366.395	2.163	20	10		FECDRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000766047888	680864151	/nfs/dbraw/zinc/86/41/51/680864151.db2.gz	MSKPAVROLISHSF-UHFFFAOYSA-N	-1	0	351.380	2.413	20	10		FECDRM
COCCn1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)cn1	ZINC000747763074	679902151	/nfs/dbraw/zinc/90/21/51/679902151.db2.gz	ABHUKYMGDBGDNY-UHFFFAOYSA-N	-1	0	354.413	2.047	20	10		FECDRM
CCOc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1CO	ZINC000753018137	680270886	/nfs/dbraw/zinc/27/08/86/680270886.db2.gz	SXCIQTDGOMXPLI-UHFFFAOYSA-N	-1	0	359.350	2.362	20	10		FECDRM
COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753020254	680271137	/nfs/dbraw/zinc/27/11/37/680271137.db2.gz	PODXBNGFIBEFFB-UHFFFAOYSA-N	-1	0	369.345	2.208	20	10		FECDRM
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000758774130	680606910	/nfs/dbraw/zinc/60/69/10/680606910.db2.gz	MFAFCRJVLUKSQL-UHFFFAOYSA-N	-1	0	363.391	2.413	20	10		FECDRM
Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])nn3)SC2=S)cc1	ZINC000759072000	680625011	/nfs/dbraw/zinc/62/50/11/680625011.db2.gz	ISBYJABVAVKNMW-SDQBBNPISA-N	-1	0	360.420	2.077	20	10		FECDRM
Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)[O-])nn3)SC2=S)cc1	ZINC000759072002	680625100	/nfs/dbraw/zinc/62/51/00/680625100.db2.gz	ISBYJABVAVKNMW-WUXMJOGZSA-N	-1	0	360.420	2.077	20	10		FECDRM
CCOC(=O)[C@@H]1CSCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000768227750	680941321	/nfs/dbraw/zinc/94/13/21/680941321.db2.gz	HTBVVOUGQHKGST-LBPRGKRZSA-N	-1	0	360.819	2.434	20	10		FECDRM
COC(=O)C[C@H]1CSCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000769469933	680984007	/nfs/dbraw/zinc/98/40/07/680984007.db2.gz	HUCIXDQRJALPAS-NSHDSACASA-N	-1	0	360.819	2.434	20	10		FECDRM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1C	ZINC000775286307	681291827	/nfs/dbraw/zinc/29/18/27/681291827.db2.gz	NMJXWBHDXBXTPU-UHFFFAOYSA-N	-1	0	365.367	2.368	20	10		FECDRM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000776748174	681433146	/nfs/dbraw/zinc/43/31/46/681433146.db2.gz	YJBDZZSQJDSRFY-UHFFFAOYSA-N	-1	0	350.396	2.468	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000779459532	681718037	/nfs/dbraw/zinc/71/80/37/681718037.db2.gz	BOAJJIYWCZSZIU-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
CCC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000780444047	681828534	/nfs/dbraw/zinc/82/85/34/681828534.db2.gz	PQNVGIVMIPPYLO-HNNXBMFYSA-N	-1	0	351.472	2.292	20	10		FECDRM
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1C(=O)[O-]	ZINC000780838519	681876009	/nfs/dbraw/zinc/87/60/09/681876009.db2.gz	YVWGNLNUMUQOQH-UHFFFAOYSA-N	-1	0	355.343	2.429	20	10		FECDRM
O=S(=O)(NC1CCCC1)C1CN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000781920703	681989367	/nfs/dbraw/zinc/98/93/67/681989367.db2.gz	KJJBHLCJCRVTTQ-UHFFFAOYSA-N	-1	0	362.854	2.231	20	10		FECDRM
COC(=O)CCc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000786101453	682350793	/nfs/dbraw/zinc/35/07/93/682350793.db2.gz	RNMRLZGPFPQNBL-UHFFFAOYSA-N	-1	0	361.379	2.129	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000790415214	682675017	/nfs/dbraw/zinc/67/50/17/682675017.db2.gz	BJAMBEHMWGHKID-UHFFFAOYSA-N	-1	0	365.407	2.391	20	10		FECDRM
CCON(CC)C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000858708316	682993654	/nfs/dbraw/zinc/99/36/54/682993654.db2.gz	DZCGEXOSUBPVQJ-UHFFFAOYSA-N	-1	0	364.229	2.298	20	10		FECDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccoc2)cc1Cl	ZINC000795289022	683035756	/nfs/dbraw/zinc/03/57/56/683035756.db2.gz	CJBPHFXBGLKKDT-UHFFFAOYSA-N	-1	0	350.805	2.105	20	10		FECDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])C2)cc1	ZINC000872874838	685027722	/nfs/dbraw/zinc/02/77/22/685027722.db2.gz	QBAFDBBCSVICPZ-MGPQQGTHSA-N	-1	0	366.483	2.233	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1ccnn1CC(F)F	ZINC000911360833	685203183	/nfs/dbraw/zinc/20/31/83/685203183.db2.gz	YWZDHORKKRDRKZ-UHFFFAOYSA-N	-1	0	373.743	2.234	20	10		FECDRM
CCNC(=O)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000893912897	689427825	/nfs/dbraw/zinc/42/78/25/689427825.db2.gz	LWEWDYCALJZNDX-UHFFFAOYSA-N	-1	0	360.227	2.141	20	10		FECDRM
C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[S@@](=O)C1	ZINC000894567620	689556306	/nfs/dbraw/zinc/55/63/06/689556306.db2.gz	WSVZYWOVKVPVEK-ZRNGKTOUSA-N	-1	0	350.253	2.494	20	10		FECDRM
CS(=O)(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894845110	689607011	/nfs/dbraw/zinc/60/70/11/689607011.db2.gz	YTPANUSOTNXNKM-VIFPVBQESA-N	-1	0	366.252	2.160	20	10		FECDRM
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC000874968010	939266209	/nfs/dbraw/zinc/26/62/09/939266209.db2.gz	DJAUIFLILLJZLA-UHFFFAOYSA-N	-1	0	370.405	2.270	20	10		FECDRM
C[S@](=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000805448872	674337376	/nfs/dbraw/zinc/33/73/76/674337376.db2.gz	CJBQTCIRHAQINW-NRFANRHFSA-N	-1	0	351.255	2.409	20	10		FECDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1	ZINC000179969743	547034668	/nfs/dbraw/zinc/03/46/68/547034668.db2.gz	MPGYJIPRQOXBTL-MSOLQXFVSA-N	-1	0	374.481	2.403	20	10		FECDRM
COCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-]	ZINC000262297606	549808076	/nfs/dbraw/zinc/80/80/76/549808076.db2.gz	MSXZVEHUDLHDQI-QGZVFWFLSA-N	-1	0	360.410	2.322	20	10		FECDRM
CN1CCc2cc(CNC(=O)N=c3[n-]nc(C(F)(F)F)s3)ccc21	ZINC000372369932	557452724	/nfs/dbraw/zinc/45/27/24/557452724.db2.gz	VQNAOMQVVBNQFR-UHFFFAOYSA-N	-1	0	357.361	2.871	20	10		FECDRM
C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-]	ZINC000820917377	598198245	/nfs/dbraw/zinc/19/82/45/598198245.db2.gz	JMJBYSLXUIRDLR-RXMQYKEDSA-N	-1	0	353.010	2.480	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cccn2c(=O)[nH]nc12	ZINC000807839169	674431261	/nfs/dbraw/zinc/43/12/61/674431261.db2.gz	YCRZBANORQJUBK-UHFFFAOYSA-N	-1	0	353.165	2.377	20	10		FECDRM
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000808093039	674440941	/nfs/dbraw/zinc/44/09/41/674440941.db2.gz	FLTUAMFTRNDKDX-UHFFFAOYSA-N	-1	0	369.439	2.179	20	10		FECDRM
CC(=O)c1[nH]c(CC(=O)NCc2ccc(N(C)C)cc2)c(C(=O)[O-])c1C	ZINC000736178709	599819048	/nfs/dbraw/zinc/81/90/48/599819048.db2.gz	VLZZGONWSWHYHJ-UHFFFAOYSA-N	-1	0	357.410	2.149	20	10		FECDRM
CC(C)c1nnc2n1CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000736536915	599967518	/nfs/dbraw/zinc/96/75/18/599967518.db2.gz	CPXAZJWTAXRRGX-GQCTYLIASA-N	-1	0	357.370	2.428	20	10		FECDRM
C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000736646320	600492009	/nfs/dbraw/zinc/49/20/09/600492009.db2.gz	SZOQDAZJMORDFY-GDBMZVCRSA-N	-1	0	361.442	2.090	20	10		FECDRM
O=C([O-])[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000739572532	600723314	/nfs/dbraw/zinc/72/33/14/600723314.db2.gz	WTGDBLAORWOKFQ-HNNXBMFYSA-N	-1	0	363.483	2.246	20	10		FECDRM
Cc1sc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(C(=O)[O-])c1C	ZINC000833033877	600877648	/nfs/dbraw/zinc/87/76/48/600877648.db2.gz	NGMGKEVJBWPJRQ-UHFFFAOYSA-N	-1	0	362.407	2.366	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000832888274	600895951	/nfs/dbraw/zinc/89/59/51/600895951.db2.gz	GXHARXLVVJOAME-UHFFFAOYSA-N	-1	0	361.423	2.076	20	10		FECDRM
Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)n1-c1cc(C)cc(C)c1	ZINC000832875875	601382013	/nfs/dbraw/zinc/38/20/13/601382013.db2.gz	YSABUZBXAFPOPX-MJGOQNOKSA-N	-1	0	370.449	2.413	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000829718199	601568856	/nfs/dbraw/zinc/56/88/56/601568856.db2.gz	GCIHFKOGMBGKST-UHFFFAOYSA-N	-1	0	369.468	2.118	20	10		FECDRM
O=C([O-])NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1	ZINC000740543061	601865201	/nfs/dbraw/zinc/86/52/01/601865201.db2.gz	MAQJVJFWTUPYCH-UHFFFAOYSA-N	-1	0	363.483	2.436	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1F	ZINC000739618939	602148709	/nfs/dbraw/zinc/14/87/09/602148709.db2.gz	QKAJABZLTFQHBC-CYBMUJFWSA-N	-1	0	352.410	2.081	20	10		FECDRM
O=C([O-])N1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	ZINC000738641975	602435593	/nfs/dbraw/zinc/43/55/93/602435593.db2.gz	UUIZUYXDSMNIKC-MRXNPFEDSA-N	-1	0	362.426	2.290	20	10		FECDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000738933446	602617402	/nfs/dbraw/zinc/61/74/02/602617402.db2.gz	XZTDUJWKTJYZKN-ZDUSSCGKSA-N	-1	0	366.487	2.037	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1F	ZINC000739619268	602709716	/nfs/dbraw/zinc/70/97/16/602709716.db2.gz	UXICSKDBBFQESR-GFCCVEGCSA-N	-1	0	352.410	2.081	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)c2csc(CNC(=O)[O-])n2)c1	ZINC000739924597	602720608	/nfs/dbraw/zinc/72/06/08/602720608.db2.gz	CGHLHIBUIOYKMB-MRVPVSSYSA-N	-1	0	351.384	2.116	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739141067	602838605	/nfs/dbraw/zinc/83/86/05/602838605.db2.gz	NKQWUUNFBSFDAQ-YOEHRIQHSA-N	-1	0	358.442	2.250	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(C3CC3)n2)NC(=O)[O-])cc1	ZINC000828064770	603032862	/nfs/dbraw/zinc/03/28/62/603032862.db2.gz	XUPVVKOGWSJDMK-MRXNPFEDSA-N	-1	0	369.425	2.159	20	10		FECDRM
CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739387440	603427492	/nfs/dbraw/zinc/42/74/92/603427492.db2.gz	YLPIAJXLLGYENX-KRWDZBQOSA-N	-1	0	363.458	2.260	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)c1	ZINC000829484610	603661822	/nfs/dbraw/zinc/66/18/22/603661822.db2.gz	VGSKUAPJGMVMPL-VXGBXAGGSA-N	-1	0	353.419	2.443	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)CC2)cc1	ZINC000829423388	603914028	/nfs/dbraw/zinc/91/40/28/603914028.db2.gz	GBFHJAZBRMHDQD-IBGZPJMESA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]cnc3c2)NC(=O)[O-])cc1	ZINC000828063957	603931900	/nfs/dbraw/zinc/93/19/00/603931900.db2.gz	KKKDEGXEBMOAOB-KRWDZBQOSA-N	-1	0	367.409	2.368	20	10		FECDRM
COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1	ZINC000829484992	604137552	/nfs/dbraw/zinc/13/75/52/604137552.db2.gz	ZJRQGBRAASISOL-RISCZKNCSA-N	-1	0	351.403	2.026	20	10		FECDRM
Cc1cc(C(=O)CN2CCC(O)(C(=O)[O-])CC2)c(C)n1-c1ccccc1C	ZINC000833753098	604727130	/nfs/dbraw/zinc/72/71/30/604727130.db2.gz	KLEBVWFFWOEEIT-UHFFFAOYSA-N	-1	0	370.449	2.497	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)cc1	ZINC000832384033	604804178	/nfs/dbraw/zinc/80/41/78/604804178.db2.gz	QIZUJFSSFYVMCG-UHFFFAOYSA-N	-1	0	358.369	2.495	20	10		FECDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833536907	605282226	/nfs/dbraw/zinc/28/22/26/605282226.db2.gz	UYTDKGHWMVCDSG-BXUZGUMPSA-N	-1	0	371.817	2.043	20	10		FECDRM
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000834158513	605698711	/nfs/dbraw/zinc/69/87/11/605698711.db2.gz	NXRDBSNKIAHVEX-QDQLXHDHSA-N	-1	0	360.410	2.442	20	10		FECDRM
CC[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCN1C(=O)[O-]	ZINC000833844333	605824659	/nfs/dbraw/zinc/82/46/59/605824659.db2.gz	SHCPOIJDVIWZHD-LJQANCHMSA-N	-1	0	361.442	2.062	20	10		FECDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	ZINC000817859179	675182861	/nfs/dbraw/zinc/18/28/61/675182861.db2.gz	XMYXOQQJWIWQBA-DGCLKSJQSA-N	-1	0	359.451	2.499	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)nn(COC)c1C	ZINC000818049861	675193474	/nfs/dbraw/zinc/19/34/74/675193474.db2.gz	ZMNMQCSQWFFQKF-UHFFFAOYSA-N	-1	0	355.416	2.009	20	10		FECDRM
O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1cnn([C@@H]2CCOC2)c1	ZINC000155937605	672240058	/nfs/dbraw/zinc/24/00/58/672240058.db2.gz	HXHBPXNLEHWDDY-SNVBAGLBSA-N	-1	0	366.424	2.362	20	10		FECDRM
Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000163673407	672310346	/nfs/dbraw/zinc/31/03/46/672310346.db2.gz	BNBYQNOWYWNXSN-HSZRJFAPSA-N	-1	0	365.436	2.211	20	10		FECDRM
Cc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1F	ZINC000180474905	672414385	/nfs/dbraw/zinc/41/43/85/672414385.db2.gz	ONTUJSIRMFEIOY-UHFFFAOYSA-N	-1	0	358.416	2.306	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3cc(C(=O)[O-])cs3)ccc21	ZINC000184969662	672514457	/nfs/dbraw/zinc/51/44/57/672514457.db2.gz	PBQIJCVKFRCPFH-UHFFFAOYSA-N	-1	0	366.464	2.307	20	10		FECDRM
CC(C)(CCNC(=O)NCc1cc(Br)ccc1O)C(=O)[O-]	ZINC000818623006	675229183	/nfs/dbraw/zinc/22/91/83/675229183.db2.gz	HEDRILIEUMUPIE-UHFFFAOYSA-N	-1	0	359.220	2.455	20	10		FECDRM
O=C(C[C@@H]1CCCS1(=O)=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000822948908	675518977	/nfs/dbraw/zinc/51/89/77/675518977.db2.gz	BOCOVAIRPBZZSP-JTQLQIEISA-N	-1	0	352.239	2.283	20	10		FECDRM
CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000824914128	675628709	/nfs/dbraw/zinc/62/87/09/675628709.db2.gz	MELXMMKKSLVSCU-LBPRGKRZSA-N	-1	0	362.835	2.353	20	10		FECDRM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2)no1	ZINC000765059289	680829318	/nfs/dbraw/zinc/82/93/18/680829318.db2.gz	BJNFZCWMBOBJMW-UHFFFAOYSA-N	-1	0	357.351	2.382	20	10		FECDRM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000766047453	680864180	/nfs/dbraw/zinc/86/41/80/680864180.db2.gz	JDECBCFQXSFVGW-UHFFFAOYSA-N	-1	0	367.354	2.321	20	10		FECDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	ZINC000750701921	680128256	/nfs/dbraw/zinc/12/82/56/680128256.db2.gz	LODMVHQQJLWMCM-UHFFFAOYSA-N	-1	0	364.467	2.417	20	10		FECDRM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000759092660	680626131	/nfs/dbraw/zinc/62/61/31/680626131.db2.gz	XRLOFNBEJATJAD-UHFFFAOYSA-N	-1	0	353.327	2.142	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)o1	ZINC000766048107	680864408	/nfs/dbraw/zinc/86/44/08/680864408.db2.gz	XSSXTIUIFGNEJM-UHFFFAOYSA-N	-1	0	353.352	2.084	20	10		FECDRM
COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000770356470	681013672	/nfs/dbraw/zinc/01/36/72/681013672.db2.gz	WOOGOSXHDJWMLH-CYBMUJFWSA-N	-1	0	360.794	2.352	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCCO1	ZINC000771456371	681056343	/nfs/dbraw/zinc/05/63/43/681056343.db2.gz	KZLSDIQUXOUSLP-UHFFFAOYSA-N	-1	0	354.409	2.032	20	10		FECDRM
COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(O)c1	ZINC000848593540	681585944	/nfs/dbraw/zinc/58/59/44/681585944.db2.gz	LTXQCSLZEIRIJQ-LEWSCRJBSA-N	-1	0	350.415	2.335	20	10		FECDRM
COCCn1c(C)c(C)c2cc(C(=O)[N-]S(=O)(=O)CC(F)F)ccc21	ZINC000851361684	682057674	/nfs/dbraw/zinc/05/76/74/682057674.db2.gz	SDJPQVTTXCPPOZ-UHFFFAOYSA-N	-1	0	374.409	2.229	20	10		FECDRM
O=C([O-])C1(CNC(=O)NCc2cccc(Br)c2O)CCC1	ZINC000851653985	682101908	/nfs/dbraw/zinc/10/19/08/682101908.db2.gz	KOCCDEUHNICNJR-UHFFFAOYSA-N	-1	0	357.204	2.209	20	10		FECDRM
CO[C@H](C)COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408753	682295917	/nfs/dbraw/zinc/29/59/17/682295917.db2.gz	XVUALGBGDJVBHF-SNVBAGLBSA-N	-1	0	371.436	2.446	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2)cc1F	ZINC000852951534	682359372	/nfs/dbraw/zinc/35/93/72/682359372.db2.gz	QKOBIJYFTAELIN-HNNXBMFYSA-N	-1	0	352.406	2.230	20	10		FECDRM
CC1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC000788197006	682510465	/nfs/dbraw/zinc/51/04/65/682510465.db2.gz	YHXMGUAWTKGWPV-UHFFFAOYSA-N	-1	0	352.437	2.346	20	10		FECDRM
Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c(C)n1-c1ccc(Cl)cc1	ZINC000790079573	682654992	/nfs/dbraw/zinc/65/49/92/682654992.db2.gz	NPVKGFHSRWJUQT-UHFFFAOYSA-N	-1	0	360.801	2.396	20	10		FECDRM
Cn1cccc1C(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000792157357	682792418	/nfs/dbraw/zinc/79/24/18/682792418.db2.gz	VBRGFRVAIYQROV-UHFFFAOYSA-N	-1	0	351.809	2.481	20	10		FECDRM
COC(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C(=O)OC)C1	ZINC000792174358	682794163	/nfs/dbraw/zinc/79/41/63/682794163.db2.gz	UDCPGLKQZBPKDP-BXKDBHETSA-N	-1	0	359.781	2.111	20	10		FECDRM
Cn1nnc2c1C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000927858942	683327135	/nfs/dbraw/zinc/32/71/35/683327135.db2.gz	QKWQORWHWGZQHV-SNVBAGLBSA-N	-1	0	370.240	2.184	20	10		FECDRM
CCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H](COC)C(=O)[O-]	ZINC000929045843	683539163	/nfs/dbraw/zinc/53/91/63/683539163.db2.gz	SEBUSWMNVWPAAV-BBRMVZONSA-N	-1	0	351.447	2.335	20	10		FECDRM
CCOC(=O)c1[nH]c(C)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1C	ZINC000864363771	683842652	/nfs/dbraw/zinc/84/26/52/683842652.db2.gz	UZKBDGVLJCOHOD-YHYXMXQVSA-N	-1	0	368.436	2.094	20	10		FECDRM
O=C(NC1CC1)N[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894467815	689538127	/nfs/dbraw/zinc/53/81/27/689538127.db2.gz	DSGIEODMNXZPAA-GFCCVEGCSA-N	-1	0	372.238	2.330	20	10		FECDRM
O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000092071652	542844163	/nfs/dbraw/zinc/84/41/63/542844163.db2.gz	MDOPKHDEZGVBKT-GFCCVEGCSA-N	-1	0	365.282	2.355	20	10		FECDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093420498	542931519	/nfs/dbraw/zinc/93/15/19/542931519.db2.gz	GBYBDVBLHSFPSU-RKDXNWHRSA-N	-1	0	350.824	2.207	20	10		FECDRM
C[C@H](CCS(C)(=O)=O)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805210842	674325895	/nfs/dbraw/zinc/32/58/95/674325895.db2.gz	XPBSSMHOYNEKJU-MRVPVSSYSA-N	-1	0	369.270	2.321	20	10		FECDRM
CS(=O)(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000805409355	674335550	/nfs/dbraw/zinc/33/55/50/674335550.db2.gz	BSMUNPKJBHQLDF-UHFFFAOYSA-N	-1	0	367.254	2.075	20	10		FECDRM
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C1CC1	ZINC000175206832	546306781	/nfs/dbraw/zinc/30/67/81/546306781.db2.gz	XFQNHASWMAVLGY-UHFFFAOYSA-N	-1	0	352.437	2.489	20	10		FECDRM
O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1cccc2nonc21	ZINC000268761444	550113729	/nfs/dbraw/zinc/11/37/29/550113729.db2.gz	HGBWSENUQMGIPR-CYBMUJFWSA-N	-1	0	361.379	2.191	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cc1	ZINC000269953920	550238837	/nfs/dbraw/zinc/23/88/37/550238837.db2.gz	JVSHXEJJHLGLKB-UHFFFAOYSA-N	-1	0	361.470	2.014	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CCN(CCOc2ccccc2)CC1	ZINC000276489528	550578830	/nfs/dbraw/zinc/57/88/30/550578830.db2.gz	GHKRIRRAMIVIIL-UHFFFAOYSA-N	-1	0	360.385	2.074	20	10		FECDRM
CN(Cc1ncnn1CC(F)F)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000278985208	550843487	/nfs/dbraw/zinc/84/34/87/550843487.db2.gz	IUPNBLKUDPKYJB-UHFFFAOYSA-N	-1	0	361.736	2.442	20	10		FECDRM
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1O	ZINC000369035689	556483268	/nfs/dbraw/zinc/48/32/68/556483268.db2.gz	IPAXXUIJNZYHHV-HNNXBMFYSA-N	-1	0	370.405	2.027	20	10		FECDRM
Cc1cc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(C)n1-c1cccc(C)c1	ZINC000377595091	558373103	/nfs/dbraw/zinc/37/31/03/558373103.db2.gz	KNQWPAKGNPHWLP-KRWDZBQOSA-N	-1	0	366.425	2.129	20	10		FECDRM
CCc1nn(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807510968	674418052	/nfs/dbraw/zinc/41/80/52/674418052.db2.gz	AWSQHENFGYYYJQ-UHFFFAOYSA-N	-1	0	371.224	2.250	20	10		FECDRM
O=C([O-])c1ccccc1NC(=O)C(=O)NCCCSc1nccs1	ZINC000821426405	598175257	/nfs/dbraw/zinc/17/52/57/598175257.db2.gz	STMQFOLJPBPSML-UHFFFAOYSA-N	-1	0	365.436	2.078	20	10		FECDRM
O=C([O-])CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000738576643	599894645	/nfs/dbraw/zinc/89/46/45/599894645.db2.gz	RRWXNTFCWSLLQA-UHFFFAOYSA-N	-1	0	371.384	2.421	20	10		FECDRM
O=C([O-])/C=C\c1ccc(N2CCn3c(nnc3C3CC3)C2)c([N+](=O)[O-])c1	ZINC000739625606	600000635	/nfs/dbraw/zinc/00/06/35/600000635.db2.gz	QLSNVKKLVLMBCE-KXFIGUGUSA-N	-1	0	355.354	2.182	20	10		FECDRM
C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1	ZINC000736643146	600562573	/nfs/dbraw/zinc/56/25/73/600562573.db2.gz	ROZYKLZGCYKZOG-AWEZNQCLSA-N	-1	0	361.442	2.090	20	10		FECDRM
Cn1cc(C[C@H]2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)cn1	ZINC000833045502	601201255	/nfs/dbraw/zinc/20/12/55/601201255.db2.gz	YGRDPMJMTNCTND-PKXJPQMGSA-N	-1	0	356.382	2.495	20	10		FECDRM
C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(N2CCOCC2)cc1	ZINC000827710045	601280483	/nfs/dbraw/zinc/28/04/83/601280483.db2.gz	KYWNSFLOZHYQGO-ZDUSSCGKSA-N	-1	0	355.394	2.107	20	10		FECDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000828361859	601651592	/nfs/dbraw/zinc/65/15/92/601651592.db2.gz	KZSXGTGNEPTBMG-CJNGLKHVSA-N	-1	0	363.483	2.102	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	ZINC000739528456	601872049	/nfs/dbraw/zinc/87/20/49/601872049.db2.gz	OPSVJLJVVFTICK-HUBLWGQQSA-N	-1	0	367.421	2.102	20	10		FECDRM
CCC[C@](C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000739291127	602131448	/nfs/dbraw/zinc/13/14/48/602131448.db2.gz	LALHWCPANVDEFV-SFHVURJKSA-N	-1	0	367.421	2.105	20	10		FECDRM
O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2nonc21	ZINC000765076945	602197645	/nfs/dbraw/zinc/19/76/45/602197645.db2.gz	CUKNJWLMAUUDES-UHFFFAOYSA-N	-1	0	359.363	2.063	20	10		FECDRM
O=C([O-])CCN(c1cccc(F)c1)S(=O)(=O)c1cccc2nonc21	ZINC000833236589	602200458	/nfs/dbraw/zinc/20/04/58/602200458.db2.gz	SIXZVSAXRQQQDH-UHFFFAOYSA-N	-1	0	365.342	2.032	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000740675159	602553375	/nfs/dbraw/zinc/55/33/75/602553375.db2.gz	JZAVVQKVECVTQV-CQSZACIVSA-N	-1	0	371.359	2.370	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1F	ZINC000739415742	602690662	/nfs/dbraw/zinc/69/06/62/602690662.db2.gz	ZMXCVDCYCBSESG-CQSZACIVSA-N	-1	0	366.437	2.471	20	10		FECDRM
CCCc1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000826948321	603025095	/nfs/dbraw/zinc/02/50/95/603025095.db2.gz	AYQSDPJSZSEWDY-INIZCTEOSA-N	-1	0	359.430	2.167	20	10		FECDRM
CC(=O)c1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n(C)c1	ZINC000823627441	603028170	/nfs/dbraw/zinc/02/81/70/603028170.db2.gz	GZHKLBHJBIBPHE-MRXNPFEDSA-N	-1	0	372.425	2.032	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(CNC(=O)[O-])n1	ZINC000828073163	603224389	/nfs/dbraw/zinc/22/43/89/603224389.db2.gz	HCZKATBHDBDCEB-UHFFFAOYSA-N	-1	0	362.411	2.016	20	10		FECDRM
CCCN(Cc1ccccc1O)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000826912364	603547210	/nfs/dbraw/zinc/54/72/10/603547210.db2.gz	YLZSPRZWFQDTDX-HNNXBMFYSA-N	-1	0	350.415	2.290	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829423130	603552850	/nfs/dbraw/zinc/55/28/50/603552850.db2.gz	BJHMTZGQDYBAND-DZGCQCFKSA-N	-1	0	361.442	2.217	20	10		FECDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCCCSc1nccs1	ZINC000826110462	603574787	/nfs/dbraw/zinc/57/47/87/603574787.db2.gz	RDWYKOUVBWMNPJ-NXEZZACHSA-N	-1	0	359.473	2.245	20	10		FECDRM
COc1ccc(N2CCN(C(=O)C3(NC(=O)[O-])CCCC3)CC2)cc1F	ZINC000829424207	603937426	/nfs/dbraw/zinc/93/74/26/603937426.db2.gz	NCVUHMJZCFFTHU-UHFFFAOYSA-N	-1	0	365.405	2.063	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1	ZINC000833733835	605033915	/nfs/dbraw/zinc/03/39/15/605033915.db2.gz	SDVSLUNQAVRTIQ-SECBINFHSA-N	-1	0	369.370	2.278	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC000833733157	605036362	/nfs/dbraw/zinc/03/63/62/605036362.db2.gz	AGLGOOFOKZMWDD-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1	ZINC000833820502	605676082	/nfs/dbraw/zinc/67/60/82/605676082.db2.gz	RUVIXQZMONRTSB-RNCFNFMXSA-N	-1	0	359.220	2.012	20	10		FECDRM
O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2cccc3nonc32)c1	ZINC000834260919	605993209	/nfs/dbraw/zinc/99/32/09/605993209.db2.gz	CISJOGSBXJMJGJ-UHFFFAOYSA-N	-1	0	352.303	2.253	20	10		FECDRM
Cn1cccc1C(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816483343	675058650	/nfs/dbraw/zinc/05/86/50/675058650.db2.gz	OYRJNBCYSRRBNA-UHFFFAOYSA-N	-1	0	351.809	2.481	20	10		FECDRM
COCc1nc([C@H]2COCCN2Cc2cc(Cl)c(F)cc2[O-])no1	ZINC000816565383	675065357	/nfs/dbraw/zinc/06/53/57/675065357.db2.gz	NFTTZKWHJUXOOV-GFCCVEGCSA-N	-1	0	357.769	2.288	20	10		FECDRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1	ZINC000041374390	670145245	/nfs/dbraw/zinc/14/52/45/670145245.db2.gz	ZCTXHDBUXRVBDD-UHFFFAOYSA-N	-1	0	363.395	2.232	20	10		FECDRM
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(O)cc(Br)c2O)N1	ZINC000124701305	672000959	/nfs/dbraw/zinc/00/09/59/672000959.db2.gz	SEUTUJBMEVLJHO-CYBMUJFWSA-N	-1	0	374.198	2.306	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1	ZINC000184885503	672510142	/nfs/dbraw/zinc/51/01/42/672510142.db2.gz	DPFSHTYFTNYSLV-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
O=S1(=O)CCN(Cc2cccc(Br)c2[O-])[C@@H]2CCC[C@@H]21	ZINC000825203128	675641420	/nfs/dbraw/zinc/64/14/20/675641420.db2.gz	XRJKRRPJMPVJPW-OLZOCXBDSA-N	-1	0	360.273	2.306	20	10		FECDRM
CCN(Cc1ccccc1)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000765093829	680830972	/nfs/dbraw/zinc/83/09/72/680830972.db2.gz	CXDYJDQJJZWCFH-UHFFFAOYSA-N	-1	0	350.396	2.269	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000840916113	680852902	/nfs/dbraw/zinc/85/29/02/680852902.db2.gz	XPCKIYJYUNEWAV-UHFFFAOYSA-N	-1	0	371.386	2.496	20	10		FECDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(O)cc1COC	ZINC000840918067	680853049	/nfs/dbraw/zinc/85/30/49/680853049.db2.gz	PUDFAQCFULVKKC-UHFFFAOYSA-N	-1	0	353.444	2.198	20	10		FECDRM
COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047422	680864241	/nfs/dbraw/zinc/86/42/41/680864241.db2.gz	HXXCFKJHDXEVRD-UHFFFAOYSA-N	-1	0	363.391	2.491	20	10		FECDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1	ZINC000831082953	679920052	/nfs/dbraw/zinc/92/00/52/679920052.db2.gz	OZYHKCNRKNSPBL-KCJUWKMLSA-N	-1	0	357.204	2.207	20	10		FECDRM
COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1	ZINC000874043742	685278541	/nfs/dbraw/zinc/27/85/41/685278541.db2.gz	YTWONJWFCZNUDM-HNNXBMFYSA-N	-1	0	358.232	2.386	20	10		FECDRM
O=C(NC1CC1)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753018557	680270840	/nfs/dbraw/zinc/27/08/40/680270840.db2.gz	OBMKDIUSUFZCMR-UHFFFAOYSA-N	-1	0	368.361	2.363	20	10		FECDRM
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000755973197	680449514	/nfs/dbraw/zinc/44/95/14/680449514.db2.gz	NCPAVDCWYDPVBD-UHFFFAOYSA-N	-1	0	356.787	2.336	20	10		FECDRM
COCCO[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844207525	681044575	/nfs/dbraw/zinc/04/45/75/681044575.db2.gz	MFMVLIJSHHEAMR-VSKVDJIOSA-N	-1	0	350.371	2.324	20	10		FECDRM
CC(C)(C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000844252438	681046745	/nfs/dbraw/zinc/04/67/45/681046745.db2.gz	QWOQDWBBLKOHJA-NSHDSACASA-N	-1	0	356.369	2.484	20	10		FECDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	ZINC000773983532	681163401	/nfs/dbraw/zinc/16/34/01/681163401.db2.gz	ZLARVGGQLOUNTB-SNVBAGLBSA-N	-1	0	352.412	2.392	20	10		FECDRM
CN(C[C@H](O)COCc1cccs1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279968	681218216	/nfs/dbraw/zinc/21/82/16/681218216.db2.gz	RKMYOPCHVQMVDL-AWEZNQCLSA-N	-1	0	351.424	2.225	20	10		FECDRM
Cn1cccc1C(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775646554	681321535	/nfs/dbraw/zinc/32/15/35/681321535.db2.gz	ZULPDTBQBULPCN-UHFFFAOYSA-N	-1	0	351.809	2.481	20	10		FECDRM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434437	681391712	/nfs/dbraw/zinc/39/17/12/681391712.db2.gz	FNCPGRHKIOQAHR-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
O=C([O-])c1cccc(Cl)c1NS(=O)(=O)c1cccc2nonc21	ZINC000776443143	681392656	/nfs/dbraw/zinc/39/26/56/681392656.db2.gz	NTFXNOBDCCPJLG-UHFFFAOYSA-N	-1	0	353.743	2.375	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)ccc1O	ZINC000776748102	681433069	/nfs/dbraw/zinc/43/30/69/681433069.db2.gz	XDXOHQKHQDMUTG-UHFFFAOYSA-N	-1	0	374.415	2.012	20	10		FECDRM
O=C([O-])[C@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780444062	681828178	/nfs/dbraw/zinc/82/81/78/681828178.db2.gz	PWGPXNXYCGEGQA-MRXNPFEDSA-N	-1	0	363.483	2.389	20	10		FECDRM
CO[C@@H](C)COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408752	682295687	/nfs/dbraw/zinc/29/56/87/682295687.db2.gz	XVUALGBGDJVBHF-JTQLQIEISA-N	-1	0	371.436	2.446	20	10		FECDRM
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)ccc1O	ZINC000797819357	683275644	/nfs/dbraw/zinc/27/56/44/683275644.db2.gz	HBOYABWLTITGRL-UHFFFAOYSA-N	-1	0	355.343	2.347	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)ccc1O	ZINC000797819256	683275919	/nfs/dbraw/zinc/27/59/19/683275919.db2.gz	BYRMKCZIZUSSPA-UHFFFAOYSA-N	-1	0	354.359	2.299	20	10		FECDRM
COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000862516660	683596694	/nfs/dbraw/zinc/59/66/94/683596694.db2.gz	WPENEWSLPCWHBQ-GWCFXTLKSA-N	-1	0	372.805	2.402	20	10		FECDRM
Cc1cc(CNS(=O)(=O)CCCC(=O)[O-])c(C)n1-c1ccccc1	ZINC000863430904	683725446	/nfs/dbraw/zinc/72/54/46/683725446.db2.gz	NGEYHOPUNFUHNW-UHFFFAOYSA-N	-1	0	350.440	2.378	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cccnc1OCC(F)F	ZINC000872375560	684941958	/nfs/dbraw/zinc/94/19/58/684941958.db2.gz	JVMXWWMFFXGBEU-UHFFFAOYSA-N	-1	0	374.365	2.378	20	10		FECDRM
Cc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1	ZINC000910528656	685070156	/nfs/dbraw/zinc/07/01/56/685070156.db2.gz	AADNFZZWUYEBQX-GOSISDBHSA-N	-1	0	362.813	2.409	20	10		FECDRM
Cc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1	ZINC000910531679	685070706	/nfs/dbraw/zinc/07/07/06/685070706.db2.gz	TYLRPTKKKKSOCG-GOSISDBHSA-N	-1	0	362.813	2.409	20	10		FECDRM
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911359618	685202484	/nfs/dbraw/zinc/20/24/84/685202484.db2.gz	DCRNICHFBPZDOW-TXEJJXNPSA-N	-1	0	354.834	2.332	20	10		FECDRM
CCn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(F)c(F)c2[O-])cn1	ZINC000877474620	686384900	/nfs/dbraw/zinc/38/49/00/686384900.db2.gz	CPHINFXSDPQZQP-JBEBIEQOSA-N	-1	0	355.410	2.192	20	10		FECDRM
CC[C@H](NCc1nnc2n1CCNC2=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000883304312	687604058	/nfs/dbraw/zinc/60/40/58/687604058.db2.gz	RNYUELUJIHKUMG-JTQLQIEISA-N	-1	0	370.240	2.275	20	10		FECDRM
CS(=O)(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])Cc2ccccc21	ZINC000894096790	689466061	/nfs/dbraw/zinc/46/60/61/689466061.db2.gz	ZZKBRIXQYYSKFU-UHFFFAOYSA-N	-1	0	368.405	2.452	20	10		FECDRM
C[C@@H](O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000895015173	689640062	/nfs/dbraw/zinc/64/00/62/689640062.db2.gz	DLJROXCRGVXMDS-PRHODGIISA-N	-1	0	350.640	2.390	20	10		FECDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000901703887	690681373	/nfs/dbraw/zinc/68/13/73/690681373.db2.gz	KQZLPTUVQUQGAE-UHFFFAOYSA-N	-1	0	351.380	2.363	20	10		FECDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2	ZINC000901917788	690714030	/nfs/dbraw/zinc/71/40/30/690714030.db2.gz	YFRRPZJORKYMIJ-UHFFFAOYSA-N	-1	0	351.428	2.371	20	10		FECDRM
CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)CS(C)(=O)=O	ZINC000093390463	542929921	/nfs/dbraw/zinc/92/99/21/542929921.db2.gz	OZKVAZPOMIPMRC-SECBINFHSA-N	-1	0	350.824	2.209	20	10		FECDRM
Cc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(C)n1-c1ccccn1	ZINC000132695128	544240720	/nfs/dbraw/zinc/24/07/20/544240720.db2.gz	SAAYEOOQUQPLPK-AWEZNQCLSA-N	-1	0	351.414	2.022	20	10		FECDRM
Cc1cnn(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135655	674321792	/nfs/dbraw/zinc/32/17/92/674321792.db2.gz	WOLYUKJQAGOYGA-UHFFFAOYSA-N	-1	0	350.227	2.219	20	10		FECDRM
CCS(=O)(=O)C[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805189613	674325222	/nfs/dbraw/zinc/32/52/22/674325222.db2.gz	YTCMTFHPDQSPFJ-QMMMGPOBSA-N	-1	0	369.270	2.321	20	10		FECDRM
O=C(NCc1nnnn1CC1CC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805299965	674330140	/nfs/dbraw/zinc/33/01/40/674330140.db2.gz	FUJPGJLGOOCVQH-UHFFFAOYSA-N	-1	0	371.228	2.095	20	10		FECDRM
Cn1cnc(-c2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2)n1	ZINC000192731241	548372513	/nfs/dbraw/zinc/37/25/13/548372513.db2.gz	QALHZOQXWIAAAE-UHFFFAOYSA-N	-1	0	372.435	2.288	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000236930936	548789580	/nfs/dbraw/zinc/78/95/80/548789580.db2.gz	GXHCHIRSXXNTQU-UHFFFAOYSA-N	-1	0	365.455	2.000	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](c2nnc3ccccn32)C1	ZINC000276494729	550578761	/nfs/dbraw/zinc/57/87/61/550578761.db2.gz	BIFUGBYKUGBKTI-NSHDSACASA-N	-1	0	356.357	2.299	20	10		FECDRM
Cn1cc(-c2nnc3n2CCN(Cc2c([O-])ccc(Cl)c2F)C3)cn1	ZINC000368992247	556470079	/nfs/dbraw/zinc/47/00/79/556470079.db2.gz	XLARMDJIUOYROM-UHFFFAOYSA-N	-1	0	362.796	2.193	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000377088012	558263477	/nfs/dbraw/zinc/26/34/77/558263477.db2.gz	GBXOVHPXKXMOIJ-SECBINFHSA-N	-1	0	369.208	2.091	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cn1C	ZINC000808114940	674442004	/nfs/dbraw/zinc/44/20/04/674442004.db2.gz	IYUFCHIFEGJCHU-UHFFFAOYSA-N	-1	0	362.766	2.111	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)c1	ZINC000738040986	600128457	/nfs/dbraw/zinc/12/84/57/600128457.db2.gz	FALRRFFDGPTBEQ-JTQLQIEISA-N	-1	0	373.365	2.307	20	10		FECDRM
Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738320978	600300454	/nfs/dbraw/zinc/30/04/54/600300454.db2.gz	UXHVQLZTWZLFKP-UHFFFAOYSA-N	-1	0	374.462	2.039	20	10		FECDRM
Cc1cc(C(=O)Cn2nc(C(=O)[O-])ccc2=O)c(C)n1-c1ccccc1	ZINC000738319459	600520738	/nfs/dbraw/zinc/52/07/38/600520738.db2.gz	LDXOVSWAQUYTSG-UHFFFAOYSA-N	-1	0	351.362	2.232	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000738402398	600639459	/nfs/dbraw/zinc/63/94/59/600639459.db2.gz	RCJXGKCZEGBTTA-UHFFFAOYSA-N	-1	0	362.451	2.379	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(OCC(=O)[O-])c2)c1	ZINC000738042639	600647187	/nfs/dbraw/zinc/64/71/87/600647187.db2.gz	ZVUKJHQWFFQGOO-LBPRGKRZSA-N	-1	0	374.393	2.425	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)C3(NC(=O)[O-])CCCC3)CC2)cc1	ZINC000739909985	601880504	/nfs/dbraw/zinc/88/05/04/601880504.db2.gz	MZBLCIKCPDQYCC-UHFFFAOYSA-N	-1	0	361.442	2.314	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2C(=O)[O-])cc1F	ZINC000739616410	602143134	/nfs/dbraw/zinc/14/31/34/602143134.db2.gz	BOZMFKOWOKHORI-CYBMUJFWSA-N	-1	0	352.410	2.223	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CCc2cccnc2)NC(=O)[O-])cc1	ZINC000828064524	603026424	/nfs/dbraw/zinc/02/64/24/603026424.db2.gz	RSUOKDZISIFNIW-KRWDZBQOSA-N	-1	0	356.426	2.205	20	10		FECDRM
CC(C)c1nn(C)cc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000824504484	603030449	/nfs/dbraw/zinc/03/04/49/603030449.db2.gz	ZZJNSJMTDGSCIF-MRXNPFEDSA-N	-1	0	373.457	2.348	20	10		FECDRM
CC(C)(NC(=O)[O-])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000824020412	603070233	/nfs/dbraw/zinc/07/02/33/603070233.db2.gz	MQMLUXOEGGPOTN-NSHDSACASA-N	-1	0	371.384	2.419	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829423133	603552839	/nfs/dbraw/zinc/55/28/39/603552839.db2.gz	BJHMTZGQDYBAND-ZFWWWQNUSA-N	-1	0	361.442	2.217	20	10		FECDRM
C[C@H](NC(=O)[C@]1(C)CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825077448	603897316	/nfs/dbraw/zinc/89/73/16/603897316.db2.gz	ZEIQDXZGLYEMOI-IFXJQAMLSA-N	-1	0	361.442	2.090	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)NCCN(C)C(=O)[O-]	ZINC000827156871	604113524	/nfs/dbraw/zinc/11/35/24/604113524.db2.gz	PCXDDSDPUNLMJT-UHFFFAOYSA-N	-1	0	374.235	2.296	20	10		FECDRM
CN(C(=O)[O-])C1CCN(C(=O)NCCCSc2nccs2)CC1	ZINC000827852328	604337236	/nfs/dbraw/zinc/33/72/36/604337236.db2.gz	OSBSNCWGEZXCAN-UHFFFAOYSA-N	-1	0	358.489	2.409	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	ZINC000825354058	604437015	/nfs/dbraw/zinc/43/70/15/604437015.db2.gz	YWHMELYYNLWOOI-XHDPSFHLSA-N	-1	0	352.431	2.252	20	10		FECDRM
Cc1cc(C(=O)CN2CCC(O)(C(=O)[O-])CC2)c(C)n1-c1cccc(C)c1	ZINC000833752618	604727574	/nfs/dbraw/zinc/72/75/74/604727574.db2.gz	ZTTPFPCKTYBPKX-UHFFFAOYSA-N	-1	0	370.449	2.497	20	10		FECDRM
C[C@@H]1CN(C(=O)[O-])c2ccccc2N1S(=O)(=O)c1cccc2nonc21	ZINC000826025575	604765947	/nfs/dbraw/zinc/76/59/47/604765947.db2.gz	BHLDGZVQQPFFIZ-SNVBAGLBSA-N	-1	0	374.378	2.305	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2ccccc2C(=O)[O-])c1	ZINC000833734012	605034088	/nfs/dbraw/zinc/03/40/88/605034088.db2.gz	ZCMWMPQKSHRKGO-NSHDSACASA-N	-1	0	365.407	2.280	20	10		FECDRM
CS(=O)(=O)CCN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1	ZINC000833738299	605171210	/nfs/dbraw/zinc/17/12/10/605171210.db2.gz	VDYIPTWRRCLOEY-UHFFFAOYSA-N	-1	0	363.435	2.253	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000827052805	605268941	/nfs/dbraw/zinc/26/89/41/605268941.db2.gz	YFCKVCJIEFCTPM-KRWDZBQOSA-N	-1	0	363.458	2.308	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1	ZINC000829484570	605309158	/nfs/dbraw/zinc/30/91/58/605309158.db2.gz	TYJKTJRVVICUEZ-LBPRGKRZSA-N	-1	0	350.415	2.433	20	10		FECDRM
O=C([O-])N[C@H](CC(F)F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000834131326	606080211	/nfs/dbraw/zinc/08/02/11/606080211.db2.gz	UCKGMYDVOVVYPG-CHWSQXEVSA-N	-1	0	372.368	2.191	20	10		FECDRM
COc1cccc(O)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000013458569	670006589	/nfs/dbraw/zinc/00/65/89/670006589.db2.gz	BDBUQZCAAKSDJN-WQLSENKSSA-N	-1	0	353.421	2.467	20	10		FECDRM
NC(=O)c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1Cl	ZINC000028258840	670089269	/nfs/dbraw/zinc/08/92/69/670089269.db2.gz	ISVPCKXOPOXKPM-UHFFFAOYSA-N	-1	0	368.827	2.244	20	10		FECDRM
Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(C)n1-c1cccc(Cl)c1	ZINC000262418623	672915049	/nfs/dbraw/zinc/91/50/49/672915049.db2.gz	QORLKADOBDDJEV-KRWDZBQOSA-N	-1	0	350.802	2.313	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000729536710	673238894	/nfs/dbraw/zinc/23/88/94/673238894.db2.gz	LYMHXCMDPCYVAL-NSHDSACASA-N	-1	0	364.423	2.263	20	10		FECDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000743049256	673748118	/nfs/dbraw/zinc/74/81/18/673748118.db2.gz	FNTQLLOHNGKMEW-UHFFFAOYSA-N	-1	0	372.863	2.040	20	10		FECDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1sccc1-n1c(C)ccc1C	ZINC000764195864	680802468	/nfs/dbraw/zinc/80/24/68/680802468.db2.gz	UQUICIXKNVRULP-GFCCVEGCSA-N	-1	0	356.469	2.250	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c([N+](=O)[O-])c1	ZINC000758773069	680606848	/nfs/dbraw/zinc/60/68/48/680606848.db2.gz	HAEAPCRFRFONPK-UHFFFAOYSA-N	-1	0	366.351	2.312	20	10		FECDRM
O=C(O[C@H]1CCOC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000837678459	680633625	/nfs/dbraw/zinc/63/36/25/680633625.db2.gz	KBGLTSGNXDYGAV-NSHDSACASA-N	-1	0	369.420	2.200	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)c1	ZINC000766048760	680864398	/nfs/dbraw/zinc/86/43/98/680864398.db2.gz	UVWSEOZVCYMDNR-UHFFFAOYSA-N	-1	0	363.391	2.491	20	10		FECDRM
O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)C1	ZINC000844934171	681094073	/nfs/dbraw/zinc/09/40/73/681094073.db2.gz	LLBGXGZHPCWGAF-SNVBAGLBSA-N	-1	0	370.808	2.082	20	10		FECDRM
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCCO3)ccc1[O-]	ZINC000775285965	681292030	/nfs/dbraw/zinc/29/20/30/681292030.db2.gz	GSBYCLCCLXVWHA-UHFFFAOYSA-N	-1	0	350.352	2.426	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000775286530	681292277	/nfs/dbraw/zinc/29/22/77/681292277.db2.gz	KXAJVTQLEQTIFU-UHFFFAOYSA-N	-1	0	361.297	2.397	20	10		FECDRM
CC(=O)c1cc(CN2CCC(F)(F)C2)c([O-])c(CN2CCOCC2)c1	ZINC000776291731	681380136	/nfs/dbraw/zinc/38/01/36/681380136.db2.gz	GZAHQSDTFIXTIH-UHFFFAOYSA-N	-1	0	354.397	2.268	20	10		FECDRM
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1	ZINC000776750505	681433238	/nfs/dbraw/zinc/43/32/38/681433238.db2.gz	GNYFYFODJSYYNH-UHFFFAOYSA-N	-1	0	361.828	2.250	20	10		FECDRM
COC1CCN(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC000849308727	681683065	/nfs/dbraw/zinc/68/30/65/681683065.db2.gz	URRNKJJJYWPWNC-UHFFFAOYSA-N	-1	0	355.243	2.467	20	10		FECDRM
O=C([O-])[C@H](CC(F)F)NC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780445134	681828417	/nfs/dbraw/zinc/82/84/17/681828417.db2.gz	ZTTFCGKKISFFGI-ZDUSSCGKSA-N	-1	0	373.425	2.147	20	10		FECDRM
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C(=O)OC)C1	ZINC000780783585	681870770	/nfs/dbraw/zinc/87/07/70/681870770.db2.gz	HPLZJPYODYFCJU-RNCFNFMXSA-N	-1	0	359.781	2.111	20	10		FECDRM
COC[C@@H](C)OC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408098	682295218	/nfs/dbraw/zinc/29/52/18/682295218.db2.gz	QGIMXNFAUWWVLE-SNVBAGLBSA-N	-1	0	371.436	2.446	20	10		FECDRM
Cc1cc(CC(=O)[N-]S(=O)(=O)CCCF)c(C)n1-c1ccccc1	ZINC000853108146	682376709	/nfs/dbraw/zinc/37/67/09/682376709.db2.gz	CTQCMVVBUZGEFO-UHFFFAOYSA-N	-1	0	352.431	2.442	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)OC	ZINC000790411724	682674662	/nfs/dbraw/zinc/67/46/62/682674662.db2.gz	OQZLNYUQEITUDE-UHFFFAOYSA-N	-1	0	357.409	2.440	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2ccnn2-c2ccc(F)cc2)SC1=S	ZINC000794868870	683000632	/nfs/dbraw/zinc/00/06/32/683000632.db2.gz	DGFKLMFDHODEPP-GHXNOFRVSA-N	-1	0	363.395	2.297	20	10		FECDRM
O=C([N-]Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)o1)C(F)(F)F	ZINC000871206981	684796565	/nfs/dbraw/zinc/79/65/65/684796565.db2.gz	HJGDUTMXEGLCPW-UHFFFAOYSA-N	-1	0	354.284	2.320	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCCC(F)(F)CC2)cc1	ZINC000872987912	685044221	/nfs/dbraw/zinc/04/42/21/685044221.db2.gz	BFQMDNFRFHHYRT-UHFFFAOYSA-N	-1	0	356.369	2.234	20	10		FECDRM
CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360808	685203149	/nfs/dbraw/zinc/20/31/49/685203149.db2.gz	XZYKSZSNBUKFDV-CQSZACIVSA-N	-1	0	354.834	2.332	20	10		FECDRM
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)O1	ZINC000911555701	685225153	/nfs/dbraw/zinc/22/51/53/685225153.db2.gz	LTNPBWCRSDROPC-WCQYABFASA-N	-1	0	372.215	2.183	20	10		FECDRM
COc1ccc(CNS(C)(=O)=O)cc1NCc1ccc(F)c(F)c1[O-]	ZINC000877569080	686411806	/nfs/dbraw/zinc/41/18/06/686411806.db2.gz	ZKGAIHQKHVWTCC-UHFFFAOYSA-N	-1	0	372.393	2.340	20	10		FECDRM
CC[C@@H](NCc1nnc2n1CCNC2=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000883304313	687604249	/nfs/dbraw/zinc/60/42/49/687604249.db2.gz	RNYUELUJIHKUMG-SNVBAGLBSA-N	-1	0	370.240	2.275	20	10		FECDRM
COC(=O)[C@@H]1COCCN1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000894021289	689451085	/nfs/dbraw/zinc/45/10/85/689451085.db2.gz	UJCKDZKCDZQWOH-NSHDSACASA-N	-1	0	364.623	2.182	20	10		FECDRM
COC(=O)C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000894029705	689453127	/nfs/dbraw/zinc/45/31/27/689453127.db2.gz	CBDGIJPXIGFOSX-LLVKDONJSA-N	-1	0	362.195	2.058	20	10		FECDRM
O=S(=O)(CC1Cc2ccccc2C1)[N-]N=c1[nH]c2cccnc2s1	ZINC000901677305	690677512	/nfs/dbraw/zinc/67/75/12/690677512.db2.gz	IEBSPYDWVXSYCV-UHFFFAOYSA-N	-1	0	360.464	2.353	20	10		FECDRM
C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCCS1(=O)=O	ZINC000908212518	691638661	/nfs/dbraw/zinc/63/86/61/691638661.db2.gz	QBACRRBSUSKOEA-CYBMUJFWSA-N	-1	0	352.239	2.283	20	10		FECDRM
CS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000800533572	674060625	/nfs/dbraw/zinc/06/06/25/674060625.db2.gz	PUDHGYGEDHXHKD-LBPRGKRZSA-N	-1	0	362.835	2.353	20	10		FECDRM
Cc1nc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1C	ZINC000805134617	674321950	/nfs/dbraw/zinc/32/19/50/674321950.db2.gz	DRXLPKNAKVIGGA-UHFFFAOYSA-N	-1	0	350.227	2.219	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262470247	549822215	/nfs/dbraw/zinc/82/22/15/549822215.db2.gz	JJQGJBSPRGDREZ-UHFFFAOYSA-N	-1	0	356.422	2.454	20	10		FECDRM
COC(=O)c1c[nH]c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	ZINC000274887390	550562570	/nfs/dbraw/zinc/56/25/70/550562570.db2.gz	FCQRPQBFARFFSX-UHFFFAOYSA-N	-1	0	362.455	2.013	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000276874071	550606010	/nfs/dbraw/zinc/60/60/10/550606010.db2.gz	LJFURNBCXLZGAF-UHFFFAOYSA-N	-1	0	355.368	2.280	20	10		FECDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)OC)c1	ZINC000292017948	552685057	/nfs/dbraw/zinc/68/50/57/552685057.db2.gz	ZQBNYWROSRZALJ-UHFFFAOYSA-N	-1	0	350.396	2.245	20	10		FECDRM
CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000372812292	557567293	/nfs/dbraw/zinc/56/72/93/557567293.db2.gz	AVPOAINDVWPUEJ-SNVBAGLBSA-N	-1	0	350.843	2.087	20	10		FECDRM
CCOC(=O)C1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000373909020	557784650	/nfs/dbraw/zinc/78/46/50/557784650.db2.gz	FBZLIQXSGIFURK-UHFFFAOYSA-N	-1	0	352.387	2.474	20	10		FECDRM
COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000532417423	562477242	/nfs/dbraw/zinc/47/72/42/562477242.db2.gz	UPICFPGTPODQJX-UHFFFAOYSA-N	-1	0	363.420	2.208	20	10		FECDRM
C[C@H]1CN(c2ccc(CNC(=O)NCCCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000818113922	597286864	/nfs/dbraw/zinc/28/68/64/597286864.db2.gz	SJRIMKJHHFJEOT-STQMWFEESA-N	-1	0	367.421	2.103	20	10		FECDRM
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839385	674431372	/nfs/dbraw/zinc/43/13/72/674431372.db2.gz	CYBGZEBTPFAHHE-MRVPVSSYSA-N	-1	0	352.239	2.140	20	10		FECDRM
O=C(CNC(=O)c1cccnc1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839454	674431221	/nfs/dbraw/zinc/43/12/21/674431221.db2.gz	DRQYZIJLKZRFGT-UHFFFAOYSA-N	-1	0	354.193	2.140	20	10		FECDRM
Cc1ccnc(NC(=O)CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000738791892	599799939	/nfs/dbraw/zinc/79/99/39/599799939.db2.gz	GQPADNGCTRJCLJ-XQRVVYSFSA-N	-1	0	370.365	2.471	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1	ZINC000738305505	599968226	/nfs/dbraw/zinc/96/82/26/599968226.db2.gz	ACUPRNHAVQVOQQ-LJQANCHMSA-N	-1	0	356.422	2.371	20	10		FECDRM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2=CC(=O)CS2)cc1OC	ZINC000737952685	600166295	/nfs/dbraw/zinc/16/62/95/600166295.db2.gz	OBIYDNLJMQWTSF-LLVKDONJSA-N	-1	0	351.380	2.417	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC000738022761	600493813	/nfs/dbraw/zinc/49/38/13/600493813.db2.gz	NGLBZVLDOWLTSI-CQSZACIVSA-N	-1	0	361.442	2.170	20	10		FECDRM
CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(C(=O)[O-])ccc1=O	ZINC000737477388	600555678	/nfs/dbraw/zinc/55/56/78/600555678.db2.gz	RQIIWOWWEXKHGV-UHFFFAOYSA-N	-1	0	356.426	2.021	20	10		FECDRM
O=C([O-])CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819434569	600700165	/nfs/dbraw/zinc/70/01/65/600700165.db2.gz	ZWHZLPKOTVDCSR-GFCCVEGCSA-N	-1	0	371.384	2.421	20	10		FECDRM
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000832937984	601159371	/nfs/dbraw/zinc/15/93/71/601159371.db2.gz	DCZYCXNYNAHWNA-UHFFFAOYSA-N	-1	0	369.421	2.356	20	10		FECDRM
O=C([O-])/C=C/c1ccc(N2CCC(OCCCO)CC2)c([N+](=O)[O-])c1	ZINC000833195615	601688834	/nfs/dbraw/zinc/68/88/34/601688834.db2.gz	HBSACSIXHQJWHE-HWKANZROSA-N	-1	0	350.371	2.060	20	10		FECDRM
CC(C)N(CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000738840305	601871376	/nfs/dbraw/zinc/87/13/76/601871376.db2.gz	JFEYQLOHPPBCSM-UHFFFAOYSA-N	-1	0	367.421	2.057	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000739528458	601871985	/nfs/dbraw/zinc/87/19/85/601871985.db2.gz	OPSVJLJVVFTICK-ZOWXZIJZSA-N	-1	0	367.421	2.102	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	ZINC000739520934	601936520	/nfs/dbraw/zinc/93/65/20/601936520.db2.gz	IJYPLMYSVCVQDF-IRXDYDNUSA-N	-1	0	363.458	2.306	20	10		FECDRM
O=C([O-])NC[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740644450	602268464	/nfs/dbraw/zinc/26/84/64/602268464.db2.gz	UCKRYSJCTTUVHU-ZDUSSCGKSA-N	-1	0	370.405	2.418	20	10		FECDRM
CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])cc1	ZINC000739618902	602347151	/nfs/dbraw/zinc/34/71/51/602347151.db2.gz	PMNMOEAPRGTQHD-GOSISDBHSA-N	-1	0	353.422	2.474	20	10		FECDRM
C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(N2CCOCC2)cc1	ZINC000827672898	602363882	/nfs/dbraw/zinc/36/38/82/602363882.db2.gz	XTFQUZDNQMLCKB-CYBMUJFWSA-N	-1	0	372.425	2.443	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)/C=C/C2CCOCC2)NC(=O)[O-])cc1	ZINC000828063151	603025720	/nfs/dbraw/zinc/02/57/20/603025720.db2.gz	AUUKSLNTNKZMKN-DLGAGEGBSA-N	-1	0	361.442	2.160	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cncc(F)c2)NC(=O)[O-])cc1	ZINC000828064833	603026385	/nfs/dbraw/zinc/02/63/85/603026385.db2.gz	ZNJYHSBNDBNFDX-VCKUIECUSA-N	-1	0	372.400	2.425	20	10		FECDRM
CC(C)c1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000824458089	603030060	/nfs/dbraw/zinc/03/00/60/603030060.db2.gz	BHAWZCQMJHLSEF-MRXNPFEDSA-N	-1	0	359.430	2.338	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)C2CCSCC2)NC(=O)[O-])cc1	ZINC000828056572	603032382	/nfs/dbraw/zinc/03/23/82/603032382.db2.gz	SGSIOBUSLLWRLT-OAHLLOKOSA-N	-1	0	351.472	2.321	20	10		FECDRM
O=C([O-])N1CCC[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000831335080	603356591	/nfs/dbraw/zinc/35/65/91/603356591.db2.gz	PPVHBHZDEOQVLN-MRXNPFEDSA-N	-1	0	363.483	2.389	20	10		FECDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCCCSc1nccs1	ZINC000826110466	603574567	/nfs/dbraw/zinc/57/45/67/603574567.db2.gz	RDWYKOUVBWMNPJ-ZJUUUORDSA-N	-1	0	359.473	2.245	20	10		FECDRM
COc1ccc(O)c(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000829484047	603619526	/nfs/dbraw/zinc/61/95/26/603619526.db2.gz	MZZPCWKQINUDNT-HNNXBMFYSA-N	-1	0	358.394	2.286	20	10		FECDRM
COc1ccc(N2CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC2)cc1F	ZINC000829423384	603937122	/nfs/dbraw/zinc/93/71/22/603937122.db2.gz	GACNAUXAHZNSOA-UHFFFAOYSA-N	-1	0	367.421	2.309	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC2)cc1	ZINC000832384135	604265036	/nfs/dbraw/zinc/26/50/36/604265036.db2.gz	ULMRIFQSQWSYGQ-UHFFFAOYSA-N	-1	0	357.410	2.301	20	10		FECDRM
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2)CC1	ZINC000739106235	604599724	/nfs/dbraw/zinc/59/97/24/604599724.db2.gz	BEMRQXPCLOHBEF-MRXNPFEDSA-N	-1	0	360.458	2.474	20	10		FECDRM
CN(C)c1ccc(CN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)C2CC2)cc1	ZINC000828067106	604693677	/nfs/dbraw/zinc/69/36/77/604693677.db2.gz	FIFPVVWJSJIKPV-QGZVFWFLSA-N	-1	0	361.442	2.013	20	10		FECDRM
C[C@H]1CN(C(=O)[O-])c2ccccc2N1S(=O)(=O)c1cccc2nonc21	ZINC000826025574	604765995	/nfs/dbraw/zinc/76/59/95/604765995.db2.gz	BHLDGZVQQPFFIZ-JTQLQIEISA-N	-1	0	374.378	2.305	20	10		FECDRM
O=C([O-])N[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1	ZINC000834122891	605440339	/nfs/dbraw/zinc/44/03/39/605440339.db2.gz	VLGMFRKQKJJRPI-HNNXBMFYSA-N	-1	0	364.785	2.419	20	10		FECDRM
O=C([O-])N[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	ZINC000834128219	605645637	/nfs/dbraw/zinc/64/56/37/605645637.db2.gz	UATRGGMLNDHSFU-MRXNPFEDSA-N	-1	0	363.483	2.292	20	10		FECDRM
Cc1csc(-c2ccc(NC(=O)C3=S=C(c4nnn[n-]4)C=C3)cc2)n1	ZINC000822410119	606545109	/nfs/dbraw/zinc/54/51/09/606545109.db2.gz	XFJRHJUQGQZJSW-UHFFFAOYSA-N	-1	0	368.447	2.266	20	10		FECDRM
CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816484748	675058626	/nfs/dbraw/zinc/05/86/26/675058626.db2.gz	NFOLWTPGUFGLMW-GFCCVEGCSA-N	-1	0	357.857	2.217	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=S	ZINC000033403215	670135238	/nfs/dbraw/zinc/13/52/38/670135238.db2.gz	FBDQKRAWGRTSAE-SJEGFPFRSA-N	-1	0	350.377	2.437	20	10		FECDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000193947962	672742352	/nfs/dbraw/zinc/74/23/52/672742352.db2.gz	BSWBKXMCENTODS-ZDUSSCGKSA-N	-1	0	363.355	2.211	20	10		FECDRM
CC1(C)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[S@@]1=O	ZINC000321937316	673041446	/nfs/dbraw/zinc/04/14/46/673041446.db2.gz	CLGSHZMRHOIYIG-CRFRRKRMSA-N	-1	0	352.412	2.430	20	10		FECDRM
CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)cc1	ZINC000740813043	673655671	/nfs/dbraw/zinc/65/56/71/673655671.db2.gz	OYFABOZLPLJJQO-UHFFFAOYSA-N	-1	0	372.472	2.061	20	10		FECDRM
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1s[n-]c(=O)c1Cl	ZINC000819698602	675310149	/nfs/dbraw/zinc/31/01/49/675310149.db2.gz	OIZVOXPUVOXAEI-UHFFFAOYSA-N	-1	0	370.814	2.413	20	10		FECDRM
COc1c(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000825124679	675637762	/nfs/dbraw/zinc/63/77/62/675637762.db2.gz	WAFBPIBWTWOIIQ-NOZJJQNGSA-N	-1	0	350.293	2.054	20	10		FECDRM
COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000766047394	680864217	/nfs/dbraw/zinc/86/42/17/680864217.db2.gz	HFSYAEWXMJMEKE-UHFFFAOYSA-N	-1	0	355.393	2.244	20	10		FECDRM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSCC(=O)[O-])cc1	ZINC000747808756	679904352	/nfs/dbraw/zinc/90/43/52/679904352.db2.gz	QTZYDMPJMZXVSU-MRXNPFEDSA-N	-1	0	366.483	2.078	20	10		FECDRM
C[C@H](NCc1nnnn1C1CC1)c1cc(Br)cc(F)c1[O-]	ZINC000756733957	680495569	/nfs/dbraw/zinc/49/55/69/680495569.db2.gz	UINDXMOHYROBDF-ZETCQYMHSA-N	-1	0	356.199	2.466	20	10		FECDRM
CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000757655155	680530435	/nfs/dbraw/zinc/53/04/35/680530435.db2.gz	JVLZFHLPFLHXRT-UHFFFAOYSA-N	-1	0	365.363	2.068	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2cncc(Br)c2)SC1=S	ZINC000767341302	680908466	/nfs/dbraw/zinc/90/84/66/680908466.db2.gz	XSFPQSXGGCQROX-WAPJZHGLSA-N	-1	0	359.226	2.130	20	10		FECDRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)n2)cn1	ZINC000768863717	680962370	/nfs/dbraw/zinc/96/23/70/680962370.db2.gz	YIRMVEIVJQPRDC-UHFFFAOYSA-N	-1	0	371.425	2.314	20	10		FECDRM
CC(C)Cn1[n-]c(CC(=O)NCCCSc2nccs2)cc1=O	ZINC000932683928	681286549	/nfs/dbraw/zinc/28/65/49/681286549.db2.gz	RQYHVIGWNVMXLW-UHFFFAOYSA-N	-1	0	354.501	2.130	20	10		FECDRM
CNC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000912775537	685435461	/nfs/dbraw/zinc/43/54/61/685435461.db2.gz	OXUOUKONAFFXTJ-XFXZXTDPSA-N	-1	0	364.448	2.112	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c(C)c1F	ZINC000776432764	681391135	/nfs/dbraw/zinc/39/11/35/681391135.db2.gz	BFXVAPPVDHUWJE-UHFFFAOYSA-N	-1	0	355.343	2.347	20	10		FECDRM
CCS(=O)(=O)C=C([O-])c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	ZINC000915362928	685514684	/nfs/dbraw/zinc/51/46/84/685514684.db2.gz	SGORIMRJAQRUPM-UHFFFAOYSA-N	-1	0	363.435	2.498	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)[N-]S(=O)(=O)CC(F)F)c2C)cc1	ZINC000851359387	682056453	/nfs/dbraw/zinc/05/64/53/682056453.db2.gz	KSVZZAKWRPQWEZ-UHFFFAOYSA-N	-1	0	372.393	2.427	20	10		FECDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C	ZINC000853107421	682376695	/nfs/dbraw/zinc/37/66/95/682376695.db2.gz	SGEVQUPIEFXHMU-AWEZNQCLSA-N	-1	0	364.467	2.118	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2ccnn2-c2ccc(F)cc2)SC1=S	ZINC000794868871	683000466	/nfs/dbraw/zinc/00/04/66/683000466.db2.gz	DGFKLMFDHODEPP-KPKJPENVSA-N	-1	0	363.395	2.297	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c(C)n1-c1cccc(C)c1	ZINC000796873130	683202563	/nfs/dbraw/zinc/20/25/63/683202563.db2.gz	JTAHAWJBNOPVMI-UHFFFAOYSA-N	-1	0	358.423	2.244	20	10		FECDRM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797819269	683275700	/nfs/dbraw/zinc/27/57/00/683275700.db2.gz	CMHBQFPCTVSZIC-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)ccc1O	ZINC000797819473	683275720	/nfs/dbraw/zinc/27/57/20/683275720.db2.gz	KKIYBCUFSKVCOC-SECBINFHSA-N	-1	0	370.452	2.460	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F	ZINC000872367386	684941408	/nfs/dbraw/zinc/94/14/08/684941408.db2.gz	VINWDVGDBIFTHN-UHFFFAOYSA-N	-1	0	365.333	2.344	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)Cc2cccs2)cc1	ZINC000872923864	685034564	/nfs/dbraw/zinc/03/45/64/685034564.db2.gz	MCTBPVJPIMNUSK-ZDUSSCGKSA-N	-1	0	362.451	2.395	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2cnc(C)s2)cc1	ZINC000872995072	685045414	/nfs/dbraw/zinc/04/54/14/685045414.db2.gz	ZIZGALNPCWXAFW-LLVKDONJSA-N	-1	0	363.439	2.229	20	10		FECDRM
COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(F)cc(F)c1[O-]	ZINC000883109930	687567548	/nfs/dbraw/zinc/56/75/48/687567548.db2.gz	JGZJQSQGBHSIAS-UHFFFAOYSA-N	-1	0	350.365	2.128	20	10		FECDRM
O=C1OC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])CCN12	ZINC000894056304	689457749	/nfs/dbraw/zinc/45/77/49/689457749.db2.gz	ZMIBWJVZMMLCBD-JTQLQIEISA-N	-1	0	361.623	2.445	20	10		FECDRM
CS(=O)(=O)CCN(Cc1cc(Br)cc(F)c1[O-])C1CC1	ZINC000894077689	689461683	/nfs/dbraw/zinc/46/16/83/689461683.db2.gz	VXRSEZIENIYOBX-UHFFFAOYSA-N	-1	0	366.252	2.303	20	10		FECDRM
C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CCS1(=O)=O	ZINC000894567095	689556373	/nfs/dbraw/zinc/55/63/73/689556373.db2.gz	PXGPRHYAXANIMJ-SECBINFHSA-N	-1	0	366.252	2.303	20	10		FECDRM
C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCS(=O)(=O)C1	ZINC000894566921	689556402	/nfs/dbraw/zinc/55/64/02/689556402.db2.gz	RUODUCWEKFRGQY-VIFPVBQESA-N	-1	0	366.252	2.160	20	10		FECDRM
Cn1nccc1[C@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000897558258	690039153	/nfs/dbraw/zinc/03/91/53/690039153.db2.gz	HBFBJJBVSOSRSL-CQSZACIVSA-N	-1	0	352.232	2.462	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(OC)c1OC	ZINC000901931825	690716064	/nfs/dbraw/zinc/71/60/64/690716064.db2.gz	QYPYCKWCCSCBDV-UHFFFAOYSA-N	-1	0	353.396	2.357	20	10		FECDRM
O=C(NCCCN1CCOC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805138222	674322090	/nfs/dbraw/zinc/32/20/90/674322090.db2.gz	OJCXWOIKVYLUMH-UHFFFAOYSA-N	-1	0	362.213	2.341	20	10		FECDRM
COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)s1	ZINC000276195938	550577268	/nfs/dbraw/zinc/57/72/68/550577268.db2.gz	HUSJOQYDKLEEGA-UHFFFAOYSA-N	-1	0	370.452	2.461	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000276913755	550610514	/nfs/dbraw/zinc/61/05/14/550610514.db2.gz	PGBFQAWUXQDCCV-UHFFFAOYSA-N	-1	0	355.368	2.280	20	10		FECDRM
COc1c(O)c(C[NH2+]CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-]	ZINC000278104203	550749416	/nfs/dbraw/zinc/74/94/16/550749416.db2.gz	AKGGHYBPCZRPPG-UHFFFAOYSA-N	-1	0	351.403	2.190	20	10		FECDRM
Cn1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(-c2cccs2)n1	ZINC000367471980	556059453	/nfs/dbraw/zinc/05/94/53/556059453.db2.gz	AAXTUNDWVAXHSY-YHYXMXQVSA-N	-1	0	365.461	2.434	20	10		FECDRM
O=S1(=O)CCCN1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000375927405	558100893	/nfs/dbraw/zinc/10/08/93/558100893.db2.gz	LQZOSDHAJHWHTI-NSHDSACASA-N	-1	0	362.854	2.185	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000737094229	599771962	/nfs/dbraw/zinc/77/19/62/599771962.db2.gz	MNYUINGECHVWIP-UHFFFAOYSA-N	-1	0	352.412	2.303	20	10		FECDRM
Cc1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1C1CC1	ZINC000738933765	600314638	/nfs/dbraw/zinc/31/46/38/600314638.db2.gz	JHDWZJNLUQOZND-UHFFFAOYSA-N	-1	0	350.806	2.367	20	10		FECDRM
COC(=O)c1cc(NC(=O)NCc2cc(OC)ccc2O)cc(C(=O)[O-])c1	ZINC000737662956	600451258	/nfs/dbraw/zinc/45/12/58/600451258.db2.gz	USGVOMHUPUNOPT-UHFFFAOYSA-N	-1	0	374.349	2.207	20	10		FECDRM
COc1ccc(N(CC(=O)NCCC(=O)[O-])Cc2ccco2)cc1F	ZINC000738017201	600574207	/nfs/dbraw/zinc/57/42/07/600574207.db2.gz	GMDSOTYXCNENCL-UHFFFAOYSA-N	-1	0	350.346	2.025	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000739758840	602433935	/nfs/dbraw/zinc/43/39/35/602433935.db2.gz	HKAQLYZRNNHEHO-RYWCDNDXSA-N	-1	0	363.370	2.217	20	10		FECDRM
O=C([O-])N1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000738640994	602435613	/nfs/dbraw/zinc/43/56/13/602435613.db2.gz	LGAJXEWGFRATHC-HZPDHXFCSA-N	-1	0	362.426	2.290	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)cc1F	ZINC000739617254	602961992	/nfs/dbraw/zinc/96/19/92/602961992.db2.gz	FUMBMVPCJGKFMM-ZDUSSCGKSA-N	-1	0	352.410	2.223	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1	ZINC000739908113	602983186	/nfs/dbraw/zinc/98/31/86/602983186.db2.gz	GIGMZWIHMBESQI-SJORKVTESA-N	-1	0	361.442	2.217	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cncc(F)c2)NC(=O)[O-])cc1	ZINC000828064830	603026370	/nfs/dbraw/zinc/02/63/70/603026370.db2.gz	ZNJYHSBNDBNFDX-DLGAGEGBSA-N	-1	0	372.400	2.425	20	10		FECDRM
COc1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1	ZINC000829286025	603032658	/nfs/dbraw/zinc/03/26/58/603032658.db2.gz	WQCODDIHEKQGMH-KRWDZBQOSA-N	-1	0	357.410	2.500	20	10		FECDRM
O=C([O-])NCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000832599094	603071597	/nfs/dbraw/zinc/07/15/97/603071597.db2.gz	AYXOYCDDQRIKMU-NSHDSACASA-N	-1	0	357.357	2.031	20	10		FECDRM
C[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)NC(=O)[O-]	ZINC000824665536	603361284	/nfs/dbraw/zinc/36/12/84/603361284.db2.gz	UHDNECNLYJSDIT-UPJWGTAASA-N	-1	0	367.421	2.102	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F	ZINC000739617771	603403707	/nfs/dbraw/zinc/40/37/07/603403707.db2.gz	IZLQEFFEMJATQZ-UHFFFAOYSA-N	-1	0	374.372	2.237	20	10		FECDRM
CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C(=O)[O-]	ZINC000739387442	603427335	/nfs/dbraw/zinc/42/73/35/603427335.db2.gz	YLPIAJXLLGYENX-QGZVFWFLSA-N	-1	0	363.458	2.260	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@]3(C)CCN(C(=O)[O-])C3)CC2)cc1	ZINC000829423156	603892374	/nfs/dbraw/zinc/89/23/74/603892374.db2.gz	BWLCRJPZTHZNNM-LJQANCHMSA-N	-1	0	361.442	2.124	20	10		FECDRM
C[C@@H](NC(=O)[C@]1(C)CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000825077447	603897327	/nfs/dbraw/zinc/89/73/27/603897327.db2.gz	ZEIQDXZGLYEMOI-AUUYWEPGSA-N	-1	0	361.442	2.090	20	10		FECDRM
CCOc1cccnc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827464806	604057311	/nfs/dbraw/zinc/05/73/11/604057311.db2.gz	CSDBTYBYTXHEPU-HNNXBMFYSA-N	-1	0	372.425	2.285	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3CC(=O)[O-])CC2)cc1	ZINC000832383215	604683396	/nfs/dbraw/zinc/68/33/96/604683396.db2.gz	BCFDAODZEQGNEK-INIZCTEOSA-N	-1	0	361.442	2.313	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000833733986	605033935	/nfs/dbraw/zinc/03/39/35/605033935.db2.gz	YACYANRXUIOHIL-JTQLQIEISA-N	-1	0	351.380	2.139	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000833734002	605034115	/nfs/dbraw/zinc/03/41/15/605034115.db2.gz	YPTPKUGUYAMWNS-JTQLQIEISA-N	-1	0	351.380	2.139	20	10		FECDRM
COC(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(C(=O)[O-])c1	ZINC000833712658	605525258	/nfs/dbraw/zinc/52/52/58/605525258.db2.gz	GWWSWIZBYKIZFH-HWKANZROSA-N	-1	0	357.318	2.235	20	10		FECDRM
COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)c1	ZINC000829484279	605876034	/nfs/dbraw/zinc/87/60/34/605876034.db2.gz	RDFQCSUUCASHGB-INIZCTEOSA-N	-1	0	360.366	2.035	20	10		FECDRM
O=C1CCN1c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000685002638	672984176	/nfs/dbraw/zinc/98/41/76/672984176.db2.gz	ZNTKIOMPOFDUBT-UHFFFAOYSA-N	-1	0	360.420	2.229	20	10		FECDRM
COc1ccc(F)cc1-c1csc([N-]S(=O)(=O)c2ccn(C)n2)n1	ZINC000727250962	673162780	/nfs/dbraw/zinc/16/27/80/673162780.db2.gz	NSFOJXBJWMNNQA-UHFFFAOYSA-N	-1	0	368.415	2.492	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2cnn(-c3ccc(F)cc3)c2)SC1=S	ZINC000728201849	673195968	/nfs/dbraw/zinc/19/59/68/673195968.db2.gz	SGMDTEGVXHKVOX-XGICHPGQSA-N	-1	0	363.395	2.297	20	10		FECDRM
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1=CC(=O)CS1	ZINC000731866740	673345467	/nfs/dbraw/zinc/34/54/67/673345467.db2.gz	XPJBQCCKTSMUMN-UHFFFAOYSA-N	-1	0	368.436	2.196	20	10		FECDRM
O=S(=O)([N-]c1cc(Br)ccc1O)c1cccc2nonc21	ZINC000765096146	680830904	/nfs/dbraw/zinc/83/09/04/680830904.db2.gz	UFCIJAMWLRKNPY-UHFFFAOYSA-N	-1	0	370.184	2.492	20	10		FECDRM
CN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753022457	680271104	/nfs/dbraw/zinc/27/11/04/680271104.db2.gz	WPRLXIQWMBEHNM-UHFFFAOYSA-N	-1	0	356.350	2.173	20	10		FECDRM
COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000753521750	680302119	/nfs/dbraw/zinc/30/21/19/680302119.db2.gz	MKNXCJVAJIZTRB-UHFFFAOYSA-N	-1	0	370.314	2.027	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1	ZINC000753963432	680327104	/nfs/dbraw/zinc/32/71/04/680327104.db2.gz	LOKOMOJYUWDUMC-UHFFFAOYSA-N	-1	0	372.472	2.026	20	10		FECDRM
C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-]	ZINC000756776546	680497169	/nfs/dbraw/zinc/49/71/69/680497169.db2.gz	PXSLEUSOVZYJPR-AMIZOPFISA-N	-1	0	358.211	2.412	20	10		FECDRM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000757654902	680530279	/nfs/dbraw/zinc/53/02/79/680530279.db2.gz	HWYDFKLKVZRMLW-UHFFFAOYSA-N	-1	0	366.351	2.362	20	10		FECDRM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000758168009	680558833	/nfs/dbraw/zinc/55/88/33/680558833.db2.gz	KEQSOEBKXGVZRN-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000766048281	680864428	/nfs/dbraw/zinc/86/44/28/680864428.db2.gz	QNDPQBPSVGUJRZ-UHFFFAOYSA-N	-1	0	354.315	2.443	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000844252353	681046576	/nfs/dbraw/zinc/04/65/76/681046576.db2.gz	KSYPICVOCYCFMG-VXGBXAGGSA-N	-1	0	352.406	2.166	20	10		FECDRM
O=C([O-])C1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	ZINC000844251873	681046647	/nfs/dbraw/zinc/04/66/47/681046647.db2.gz	KEHFVVLKFSVUSJ-LLVKDONJSA-N	-1	0	354.353	2.238	20	10		FECDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C	ZINC000775291487	681294014	/nfs/dbraw/zinc/29/40/14/681294014.db2.gz	JFDDHNPLJHHGJG-UHFFFAOYSA-N	-1	0	356.425	2.361	20	10		FECDRM
CCc1nc(CN2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)no1	ZINC000775688518	681324316	/nfs/dbraw/zinc/32/43/16/681324316.db2.gz	SSJDRDOQRIHUGK-UHFFFAOYSA-N	-1	0	354.813	2.448	20	10		FECDRM
CN1CCCc2ccc(S(=O)(=O)Nc3ccc(O)cc3C(=O)[O-])cc21	ZINC000776433596	681391760	/nfs/dbraw/zinc/39/17/60/681391760.db2.gz	XIGWISXTVFJXCR-UHFFFAOYSA-N	-1	0	362.407	2.274	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000779459107	681718152	/nfs/dbraw/zinc/71/81/52/681718152.db2.gz	PHTYLLBBLMXOHE-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
COCC[S@](=O)Cc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1	ZINC000789976499	682642727	/nfs/dbraw/zinc/64/27/27/682642727.db2.gz	LAKCUTDMIQKFES-VWLOTQADSA-N	-1	0	367.398	2.384	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)cs1	ZINC000790411655	682674739	/nfs/dbraw/zinc/67/47/39/682674739.db2.gz	LODFYHHIJCIGIO-UHFFFAOYSA-N	-1	0	357.409	2.440	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000790412152	682674883	/nfs/dbraw/zinc/67/48/83/682674883.db2.gz	YNORXDDZVKDMAO-UHFFFAOYSA-N	-1	0	364.379	2.037	20	10		FECDRM
CO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1)C1CCCC1	ZINC000857224933	682866576	/nfs/dbraw/zinc/86/65/76/682866576.db2.gz	AGXDMOYWODIUMJ-GFCCVEGCSA-N	-1	0	356.473	2.143	20	10		FECDRM
O=S(=O)([N-]c1ccc(O)cc1)c1ccccc1S(=O)(=O)C(F)F	ZINC000794579612	682981427	/nfs/dbraw/zinc/98/14/27/682981427.db2.gz	ZRWWURJFMASUDZ-UHFFFAOYSA-N	-1	0	363.363	2.189	20	10		FECDRM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797820423	683276294	/nfs/dbraw/zinc/27/62/94/683276294.db2.gz	XFPMUBAOFKUHAR-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1	ZINC000799124368	683425302	/nfs/dbraw/zinc/42/53/02/683425302.db2.gz	SDJYQOYMVQYHAE-UHFFFAOYSA-N	-1	0	370.814	2.344	20	10		FECDRM
CCOC(=O)c1[nH]c(C)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1C	ZINC000864363770	683842463	/nfs/dbraw/zinc/84/24/63/683842463.db2.gz	UZKBDGVLJCOHOD-BJMVGYQFSA-N	-1	0	368.436	2.094	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1ncc[n-]1	ZINC000866898174	684176756	/nfs/dbraw/zinc/17/67/56/684176756.db2.gz	BAISAUMLGJWZBH-UHFFFAOYSA-N	-1	0	360.233	2.089	20	10		FECDRM
CN1C[C@@H](CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000924754694	684486642	/nfs/dbraw/zinc/48/66/42/684486642.db2.gz	UWLMITLZAVTUGW-VIFPVBQESA-N	-1	0	360.241	2.367	20	10		FECDRM
CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Cl)ccc1O	ZINC000872501969	684966990	/nfs/dbraw/zinc/96/69/90/684966990.db2.gz	NYYRDQFRAOPYDW-FQEVSTJZSA-N	-1	0	354.881	2.276	20	10		FECDRM
COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)SCC(=O)[O-])C2)cc1	ZINC000872874347	685027490	/nfs/dbraw/zinc/02/74/90/685027490.db2.gz	BLVVKOUAODAOQJ-ZDUSSCGKSA-N	-1	0	366.483	2.234	20	10		FECDRM
C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[S@](=O)C1	ZINC000894567618	689556292	/nfs/dbraw/zinc/55/62/92/689556292.db2.gz	WSVZYWOVKVPVEK-UGZDLDLSSA-N	-1	0	350.253	2.494	20	10		FECDRM
C[C@H](O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000895015174	689640191	/nfs/dbraw/zinc/64/01/91/689640191.db2.gz	DLJROXCRGVXMDS-QPUJVOFHSA-N	-1	0	350.640	2.390	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCN([C@@H]2CCOC2)CC1	ZINC000895258433	689686377	/nfs/dbraw/zinc/68/63/77/689686377.db2.gz	CVKGQZIHFVUZRA-CYBMUJFWSA-N	-1	0	359.239	2.200	20	10		FECDRM
CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000800533570	674060444	/nfs/dbraw/zinc/06/04/44/674060444.db2.gz	PUDHGYGEDHXHKD-GFCCVEGCSA-N	-1	0	362.835	2.353	20	10		FECDRM
Cn1cc(N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2=O)cn1	ZINC000093530487	542933063	/nfs/dbraw/zinc/93/30/63/542933063.db2.gz	PHTSFRQWUWJIDD-UHFFFAOYSA-N	-1	0	355.225	2.281	20	10		FECDRM
O=C(NCCCN1C(=O)CCC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805077785	674317363	/nfs/dbraw/zinc/31/73/63/674317363.db2.gz	ILHPDRCBVCFMGQ-UHFFFAOYSA-N	-1	0	374.224	2.037	20	10		FECDRM
C[C@H]1COCCN1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805187351	674324972	/nfs/dbraw/zinc/32/49/72/674324972.db2.gz	JRGFPCXYXCCUCH-JTQLQIEISA-N	-1	0	362.257	2.219	20	10		FECDRM
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805246902	674327482	/nfs/dbraw/zinc/32/74/82/674327482.db2.gz	RZUVDDYZPOZJBG-JQWIXIFHSA-N	-1	0	360.241	2.413	20	10		FECDRM
COCC(=O)N1CCc2c1cccc2NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000184131779	547774448	/nfs/dbraw/zinc/77/44/48/547774448.db2.gz	QVPPREWKPSLWDI-UHFFFAOYSA-N	-1	0	357.366	2.448	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1NC(=O)C[C@H]1C(F)(F)F	ZINC000366219339	555785004	/nfs/dbraw/zinc/78/50/04/555785004.db2.gz	SEHCVJBLQWUFRY-XCBNKYQSSA-N	-1	0	371.142	2.382	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(F)nc1	ZINC000807513278	674418365	/nfs/dbraw/zinc/41/83/65/674418365.db2.gz	XNVLAFLMGWLELA-UHFFFAOYSA-N	-1	0	358.156	2.488	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cncc(F)c1	ZINC000807513220	674418272	/nfs/dbraw/zinc/41/82/72/674418272.db2.gz	UXGKFYMRYHOKOY-UHFFFAOYSA-N	-1	0	358.156	2.488	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cn1	ZINC000808113480	674441757	/nfs/dbraw/zinc/44/17/57/674441757.db2.gz	AGDOZDYEXOEDIL-UHFFFAOYSA-N	-1	0	360.750	2.167	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCn3nc(C(=O)[O-])nc32)cc1	ZINC000738578286	599767645	/nfs/dbraw/zinc/76/76/45/599767645.db2.gz	CFOFZCGTFHPBOS-UHFFFAOYSA-N	-1	0	365.393	2.434	20	10		FECDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000739538101	600119739	/nfs/dbraw/zinc/11/97/39/600119739.db2.gz	FBEGNZIBHLRKHM-UONOGXRCSA-N	-1	0	354.353	2.094	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000738041314	600128641	/nfs/dbraw/zinc/12/86/41/600128641.db2.gz	HIQAODVFQQAEMH-LLVKDONJSA-N	-1	0	372.377	2.223	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000738041316	600128761	/nfs/dbraw/zinc/12/87/61/600128761.db2.gz	HIQAODVFQQAEMH-NSHDSACASA-N	-1	0	372.377	2.223	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC000738041391	600128822	/nfs/dbraw/zinc/12/88/22/600128822.db2.gz	IZXKTPGCYNVJOV-NSHDSACASA-N	-1	0	372.377	2.223	20	10		FECDRM
O=C([O-])[C@H]1CC12CCN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2	ZINC000739525779	600751310	/nfs/dbraw/zinc/75/13/10/600751310.db2.gz	MRAIILBFYNPMTL-QGZVFWFLSA-N	-1	0	355.438	2.459	20	10		FECDRM
COc1cc(N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)cc(OC)c1OC	ZINC000737892905	600970040	/nfs/dbraw/zinc/97/00/40/600970040.db2.gz	SHWYHYYHENLIBH-UHFFFAOYSA-N	-1	0	374.393	2.486	20	10		FECDRM
C[C@@H](CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-]	ZINC000827533548	601272956	/nfs/dbraw/zinc/27/29/56/601272956.db2.gz	QJYFRUPVSCPCPK-AWEZNQCLSA-N	-1	0	354.472	2.159	20	10		FECDRM
Cc1cc(C(=O)CN(C)Cc2nc[nH]n2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832858300	601320803	/nfs/dbraw/zinc/32/08/03/601320803.db2.gz	BAFJVJOEBODYOH-UHFFFAOYSA-N	-1	0	367.409	2.225	20	10		FECDRM
Cc1cc(C(=O)Cn2cnccc2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832860094	601349979	/nfs/dbraw/zinc/34/99/79/601349979.db2.gz	VXLPVLRSOHMIFZ-UHFFFAOYSA-N	-1	0	351.362	2.232	20	10		FECDRM
C[C@@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-]	ZINC000828455743	601816216	/nfs/dbraw/zinc/81/62/16/601816216.db2.gz	FWIJIJQUDNNNGM-IUODEOHRSA-N	-1	0	355.390	2.481	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000739925552	602574474	/nfs/dbraw/zinc/57/44/74/602574474.db2.gz	PHPQVCVDZUGFQH-BLLLJJGKSA-N	-1	0	358.394	2.457	20	10		FECDRM
CCN(CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739427698	602635607	/nfs/dbraw/zinc/63/56/07/602635607.db2.gz	VKRATRITEYLGQM-HNNXBMFYSA-N	-1	0	365.430	2.083	20	10		FECDRM
CN1CCCc2cc(CNC(=O)NCC[C@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000739731214	602709766	/nfs/dbraw/zinc/70/97/66/602709766.db2.gz	MLSWUMCYCCWOEA-AWEZNQCLSA-N	-1	0	360.458	2.258	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)cc1F	ZINC000739617251	602961931	/nfs/dbraw/zinc/96/19/31/602961931.db2.gz	FUMBMVPCJGKFMM-CYBMUJFWSA-N	-1	0	352.410	2.223	20	10		FECDRM
Cc1ccc(C(=O)C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1	ZINC000830175623	603031629	/nfs/dbraw/zinc/03/16/29/603031629.db2.gz	CIEPOAWKQGLFEZ-QGZVFWFLSA-N	-1	0	369.421	2.369	20	10		FECDRM
Cc1cc(C)n(CCC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830017431	603031753	/nfs/dbraw/zinc/03/17/53/603031753.db2.gz	NPJODYGDOQAQET-KRWDZBQOSA-N	-1	0	373.457	2.081	20	10		FECDRM
O=C([O-])NCCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000832609053	603071763	/nfs/dbraw/zinc/07/17/63/603071763.db2.gz	PBBNQSNRNHQILH-GFCCVEGCSA-N	-1	0	371.384	2.421	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828359815	603259574	/nfs/dbraw/zinc/25/95/74/603259574.db2.gz	GLAZIZALQBXYCP-KRWDZBQOSA-N	-1	0	361.442	2.014	20	10		FECDRM
COc1cccc(CNC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1O	ZINC000829560892	603556917	/nfs/dbraw/zinc/55/69/17/603556917.db2.gz	VRBTWTGAQGDYNO-OAHLLOKOSA-N	-1	0	358.394	2.286	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2Cc1nc(C(C)(C)NC(=O)[O-])no1	ZINC000828074020	603918149	/nfs/dbraw/zinc/91/81/49/603918149.db2.gz	SDBAOJJDJHIUMI-UHFFFAOYSA-N	-1	0	361.402	2.037	20	10		FECDRM
C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1NC(=O)[O-]	ZINC000826000132	604337307	/nfs/dbraw/zinc/33/73/07/604337307.db2.gz	FTRJSBYTHAROBL-QWRGUYRKSA-N	-1	0	358.489	2.313	20	10		FECDRM
O=C([O-])NCC1CCN(C(=O)NCCCSc2nccs2)CC1	ZINC000832583242	604337647	/nfs/dbraw/zinc/33/76/47/604337647.db2.gz	NLYPHFJHOMTRFH-UHFFFAOYSA-N	-1	0	358.489	2.315	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	ZINC000825354055	604437072	/nfs/dbraw/zinc/43/70/72/604437072.db2.gz	YWHMELYYNLWOOI-ABAIWWIYSA-N	-1	0	352.431	2.252	20	10		FECDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000832917725	604764676	/nfs/dbraw/zinc/76/46/76/604764676.db2.gz	WESBNLRZTPBKRS-QPJJXVBHSA-N	-1	0	371.345	2.300	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000833733236	605033611	/nfs/dbraw/zinc/03/36/11/605033611.db2.gz	DMVWXDPXOOYKBB-MRVPVSSYSA-N	-1	0	357.409	2.200	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1	ZINC000833733179	605033684	/nfs/dbraw/zinc/03/36/84/605033684.db2.gz	BMRPFAMQPCKDCP-MRVPVSSYSA-N	-1	0	355.368	2.040	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000833733788	605034113	/nfs/dbraw/zinc/03/41/13/605034113.db2.gz	PYEVYFAFTHBRCA-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])co2)cc1	ZINC000833654155	605196558	/nfs/dbraw/zinc/19/65/58/605196558.db2.gz	DJPYTLJPOSMFDD-UHFFFAOYSA-N	-1	0	352.412	2.303	20	10		FECDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000825823586	605554247	/nfs/dbraw/zinc/55/42/47/605554247.db2.gz	NSAGZDLHSHLPMA-GDBMZVCRSA-N	-1	0	358.442	2.393	20	10		FECDRM
CN(C)C(=O)CC1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000833687285	605862551	/nfs/dbraw/zinc/86/25/51/605862551.db2.gz	CPGJLNWMTPSLMX-GQCTYLIASA-N	-1	0	361.398	2.387	20	10		FECDRM
O=C([O-])Nc1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1	ZINC000834276880	606002811	/nfs/dbraw/zinc/00/28/11/606002811.db2.gz	MPZSWTLPYOGMBT-UHFFFAOYSA-N	-1	0	355.398	2.487	20	10		FECDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000826271921	609528452	/nfs/dbraw/zinc/52/84/52/609528452.db2.gz	MWHYIFRPGFJLNR-UHFFFAOYSA-N	-1	0	365.802	2.335	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000013094220	670005353	/nfs/dbraw/zinc/00/53/53/670005353.db2.gz	JNAARMMVGSMIGR-UHFFFAOYSA-N	-1	0	366.414	2.411	20	10		FECDRM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000013464085	670006725	/nfs/dbraw/zinc/00/67/25/670006725.db2.gz	ZRRXCKLVHZWYER-UHFFFAOYSA-N	-1	0	366.351	2.416	20	10		FECDRM
CCOCCS(=O)(=O)[N-]C(=O)c1sccc1-n1c(C)ccc1C	ZINC000111981110	670863586	/nfs/dbraw/zinc/86/35/86/670863586.db2.gz	SKWWWWOSZNUFIO-UHFFFAOYSA-N	-1	0	356.469	2.252	20	10		FECDRM
COC(=O)[C@H]1CCc2sc(NC(=O)c3c(F)ccc(O)c3[O-])nc2C1	ZINC000817765951	675175384	/nfs/dbraw/zinc/17/53/84/675175384.db2.gz	IERMWTSRGDWLQJ-ZETCQYMHSA-N	-1	0	366.370	2.224	20	10		FECDRM
COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000609218932	675914451	/nfs/dbraw/zinc/91/44/51/675914451.db2.gz	LMDHOGOYLFWUJR-UHFFFAOYSA-N	-1	0	367.383	2.418	20	10		FECDRM
NC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1F	ZINC000582882212	672042757	/nfs/dbraw/zinc/04/27/57/672042757.db2.gz	IEDDXMSAARIVGE-UHFFFAOYSA-N	-1	0	367.387	2.122	20	10		FECDRM
CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1F	ZINC000161489335	672297409	/nfs/dbraw/zinc/29/74/09/672297409.db2.gz	AELQURUGZWHXMW-UHFFFAOYSA-N	-1	0	350.331	2.121	20	10		FECDRM
COC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765078663	680830025	/nfs/dbraw/zinc/83/00/25/680830025.db2.gz	UTGPGXIXSUUBKM-UHFFFAOYSA-N	-1	0	361.379	2.129	20	10		FECDRM
COCCOCc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765056486	680829124	/nfs/dbraw/zinc/82/91/24/680829124.db2.gz	NVQVXWLODDICMW-UHFFFAOYSA-N	-1	0	363.395	2.187	20	10		FECDRM
Cn1cnnc1-c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753020628	680271250	/nfs/dbraw/zinc/27/12/50/680271250.db2.gz	TWXCWRASJHZTAX-UHFFFAOYSA-N	-1	0	366.349	2.267	20	10		FECDRM
C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-]	ZINC000756776442	680497228	/nfs/dbraw/zinc/49/72/28/680497228.db2.gz	PGLYEMKTAWRQEY-SDBXPKJASA-N	-1	0	358.211	2.412	20	10		FECDRM
COCCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000757658803	680530780	/nfs/dbraw/zinc/53/07/80/680530780.db2.gz	VACWKWFLYGTOID-UHFFFAOYSA-N	-1	0	351.380	2.080	20	10		FECDRM
O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)C1	ZINC000844934170	681094095	/nfs/dbraw/zinc/09/40/95/681094095.db2.gz	LLBGXGZHPCWGAF-JTQLQIEISA-N	-1	0	370.808	2.082	20	10		FECDRM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000777936695	681545833	/nfs/dbraw/zinc/54/58/33/681545833.db2.gz	XSSRIPAGWKXUJH-UHFFFAOYSA-N	-1	0	370.314	2.247	20	10		FECDRM
[O-]c1c(Br)cccc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1	ZINC000848563184	681578959	/nfs/dbraw/zinc/57/89/59/681578959.db2.gz	RFXLNNJBWHNMHH-LLVKDONJSA-N	-1	0	353.220	2.414	20	10		FECDRM
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cccc(Br)c1[O-]	ZINC000779146076	681685000	/nfs/dbraw/zinc/68/50/00/681685000.db2.gz	YVYVUPYHXAXNPJ-YPMHNXCESA-N	-1	0	358.232	2.307	20	10		FECDRM
C[C@](NC(=O)NCc1ccc(N2CCSCC2)cc1)(C(=O)[O-])C1CC1	ZINC000780441842	681827796	/nfs/dbraw/zinc/82/77/96/681827796.db2.gz	APURIMHQBMUMEC-GOSISDBHSA-N	-1	0	363.483	2.292	20	10		FECDRM
O=C([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1	ZINC000915220585	685513289	/nfs/dbraw/zinc/51/32/89/685513289.db2.gz	FCPLTEBYSKAPDC-UHFFFAOYSA-N	-1	0	360.435	2.464	20	10		FECDRM
CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1cccc2nonc21	ZINC000783844959	682181057	/nfs/dbraw/zinc/18/10/57/682181057.db2.gz	FXQAQXZPRTUBAB-UHFFFAOYSA-N	-1	0	361.379	2.065	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1	ZINC000788066114	682500502	/nfs/dbraw/zinc/50/05/02/682500502.db2.gz	HXJIUUFJQNKWRZ-UHFFFAOYSA-N	-1	0	355.343	2.127	20	10		FECDRM
CCOC(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOC1	ZINC000789580117	682619076	/nfs/dbraw/zinc/61/90/76/682619076.db2.gz	LHVDLSHRWFVAFN-HZMBPMFUSA-N	-1	0	372.805	2.402	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1	ZINC000790409018	682674404	/nfs/dbraw/zinc/67/44/04/682674404.db2.gz	KMQYHSMSRKXLCX-UHFFFAOYSA-N	-1	0	360.391	2.433	20	10		FECDRM
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000790415764	682675225	/nfs/dbraw/zinc/67/52/25/682675225.db2.gz	LXFIGGHNCNPTAI-UHFFFAOYSA-N	-1	0	366.351	2.362	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2n1CCCC2	ZINC000911360046	685202503	/nfs/dbraw/zinc/20/25/03/685202503.db2.gz	MKSQDXUWYOKCOG-UHFFFAOYSA-N	-1	0	363.801	2.305	20	10		FECDRM
Cn1cc(N2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)cn1	ZINC000894025436	689451966	/nfs/dbraw/zinc/45/19/66/689451966.db2.gz	WNILAFZLZCBTCM-UHFFFAOYSA-N	-1	0	369.238	2.350	20	10		FECDRM
Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(F)cc2[O-])cn1	ZINC000895380273	689706881	/nfs/dbraw/zinc/70/68/81/689706881.db2.gz	NZIBOVAHYKPDAM-PSLXWICFSA-N	-1	0	357.838	2.224	20	10		FECDRM
CC1(C)CCC[C@H](CS(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)O1	ZINC000901676543	690677258	/nfs/dbraw/zinc/67/72/58/690677258.db2.gz	COOWCZUWJZSKLC-SNVBAGLBSA-N	-1	0	356.473	2.285	20	10		FECDRM
CS(=O)(=O)CCn1cccc(NCc2c([O-])ccc(Cl)c2F)c1=O	ZINC000902235963	690751058	/nfs/dbraw/zinc/75/10/58/690751058.db2.gz	VCXISHHBWBWCHH-UHFFFAOYSA-N	-1	0	374.821	2.003	20	10		FECDRM
O=C([O-])[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	ZINC000852951234	939240243	/nfs/dbraw/zinc/24/02/43/939240243.db2.gz	PHXMDPOUAFCQCD-SWLSCSKDSA-N	-1	0	368.380	2.484	20	10		FECDRM
COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000042626903	540070229	/nfs/dbraw/zinc/07/02/29/540070229.db2.gz	WTVOFQPCHJXGQJ-UHFFFAOYSA-N	-1	0	363.420	2.208	20	10		FECDRM
CCOC(=O)CCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805134529	674321887	/nfs/dbraw/zinc/32/18/87/674321887.db2.gz	BTYLAEGJWGBQIR-UHFFFAOYSA-N	-1	0	370.254	2.462	20	10		FECDRM
Cc1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c(C)n1-c1cccc(C)c1	ZINC000262410726	549817845	/nfs/dbraw/zinc/81/78/45/549817845.db2.gz	BGMJCGNYAVZMLC-UHFFFAOYSA-N	-1	0	356.422	2.454	20	10		FECDRM
COc1cc(CNC(=O)C[N@H+](C)Cc2ccccc2O)cc(OC)c1OC	ZINC000264607451	549998283	/nfs/dbraw/zinc/99/82/83/549998283.db2.gz	MJMXIIFUJPIMLY-UHFFFAOYSA-N	-1	0	374.437	2.166	20	10		FECDRM
O=[N+]([O-])c1ccc([O-])c(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1	ZINC000278545898	550797908	/nfs/dbraw/zinc/79/79/08/550797908.db2.gz	YHWUZTKCTZCGGP-UHFFFAOYSA-N	-1	0	369.385	2.085	20	10		FECDRM
C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000285780425	551809824	/nfs/dbraw/zinc/80/98/24/551809824.db2.gz	UPZIIMCMIQMTKO-QMTHXVAHSA-N	-1	0	363.336	2.214	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CCN(CCc2cccs2)CC1	ZINC000294980735	552948964	/nfs/dbraw/zinc/94/89/64/552948964.db2.gz	YDWBJBGZVGTSGI-UHFFFAOYSA-N	-1	0	350.415	2.299	20	10		FECDRM
COc1ccc(N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1F	ZINC000295222560	552971641	/nfs/dbraw/zinc/97/16/41/552971641.db2.gz	YIKLSLBZTGMHNW-UHFFFAOYSA-N	-1	0	364.348	2.347	20	10		FECDRM
O=C([O-])Cc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000819618242	597342038	/nfs/dbraw/zinc/34/20/38/597342038.db2.gz	QWAVLVBFGDMVQD-UHFFFAOYSA-N	-1	0	369.421	2.472	20	10		FECDRM
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835892	674431401	/nfs/dbraw/zinc/43/14/01/674431401.db2.gz	LTTHQEHXPDYQLR-UHFFFAOYSA-N	-1	0	372.208	2.458	20	10		FECDRM
NC(=O)c1ccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000807838983	674431411	/nfs/dbraw/zinc/43/14/11/674431411.db2.gz	DSUMVBWZRYAXNV-UHFFFAOYSA-N	-1	0	369.204	2.493	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)CCCNC(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000736824452	599723880	/nfs/dbraw/zinc/72/38/80/599723880.db2.gz	JLVXQFIKLZFLOL-CHWSQXEVSA-N	-1	0	367.421	2.103	20	10		FECDRM
COC(=O)[C@H]1CC12CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC2	ZINC000737579366	600283112	/nfs/dbraw/zinc/28/31/12/600283112.db2.gz	RWMZPIHTEOTUQU-HSBHDXMMSA-N	-1	0	360.366	2.472	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000326621244	600645908	/nfs/dbraw/zinc/64/59/08/600645908.db2.gz	OWERGCGXFYSJPT-UHFFFAOYSA-N	-1	0	362.451	2.200	20	10		FECDRM
C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000736646331	600744129	/nfs/dbraw/zinc/74/41/29/600744129.db2.gz	SZOQDAZJMORDFY-ZBFHGGJFSA-N	-1	0	361.442	2.090	20	10		FECDRM
O=C([O-])c1cc(S(=O)(=O)NCCCSc2nccs2)cs1	ZINC000761296107	600747642	/nfs/dbraw/zinc/74/76/42/600747642.db2.gz	CRCMPHWDVTUUOV-UHFFFAOYSA-N	-1	0	364.495	2.364	20	10		FECDRM
COCCOC[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831763757	600824688	/nfs/dbraw/zinc/82/46/88/600824688.db2.gz	VSHNFZVGANYJND-PKXJPQMGSA-N	-1	0	350.371	2.182	20	10		FECDRM
CCN(CC)c1ccc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)cc1F	ZINC000829686944	601514560	/nfs/dbraw/zinc/51/45/60/601514560.db2.gz	CCEOEOGUFROQLI-UHFFFAOYSA-N	-1	0	372.462	2.346	20	10		FECDRM
C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000827645338	602064333	/nfs/dbraw/zinc/06/43/33/602064333.db2.gz	JKNOBIFEMPXKQI-LIRRHRJNSA-N	-1	0	361.442	2.090	20	10		FECDRM
C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000828493494	602107231	/nfs/dbraw/zinc/10/72/31/602107231.db2.gz	FXZADEFPPFZWJO-YNEHKIRRSA-N	-1	0	352.406	2.166	20	10		FECDRM
CC1CCN(c2ccc(CNC(=O)N3CCN(C(=O)[O-])CC3)cc2)CC1	ZINC000736799985	602651777	/nfs/dbraw/zinc/65/17/77/602651777.db2.gz	UVWFFBIXWBIHHS-UHFFFAOYSA-N	-1	0	360.458	2.428	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)c3ccc(CNC(=O)[O-])o3)CC2)cc1	ZINC000829425265	602817851	/nfs/dbraw/zinc/81/78/51/602817851.db2.gz	ZHPAUBHTWBWTBT-UHFFFAOYSA-N	-1	0	373.409	2.455	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)NC(=O)[O-])cc1	ZINC000828064735	603023997	/nfs/dbraw/zinc/02/39/97/603023997.db2.gz	XASMGFLRAHXMLD-HNNXBMFYSA-N	-1	0	371.393	2.220	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)[O-])cc1	ZINC000828064323	603024120	/nfs/dbraw/zinc/02/41/20/603024120.db2.gz	ORMKNTPGQWGMNY-MRXNPFEDSA-N	-1	0	372.381	2.400	20	10		FECDRM
CN(C)c1ccc(CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)cc1	ZINC000739617862	603109135	/nfs/dbraw/zinc/10/91/35/603109135.db2.gz	LKDBPMMIHIVACB-UHFFFAOYSA-N	-1	0	353.422	2.174	20	10		FECDRM
COc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)ccc1NC(=O)[O-]	ZINC000739866689	603394852	/nfs/dbraw/zinc/39/48/52/603394852.db2.gz	IYSXVONCKFGQOQ-UHFFFAOYSA-N	-1	0	373.365	2.088	20	10		FECDRM
COc1cccc(CNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c1O	ZINC000829560781	604129488	/nfs/dbraw/zinc/12/94/88/604129488.db2.gz	UEJINECDRFYSKK-CQSZACIVSA-N	-1	0	365.430	2.417	20	10		FECDRM
O=C([O-])N1CCCC[C@H](NC(=O)NCCCSc2nccs2)C1	ZINC000831680476	604336166	/nfs/dbraw/zinc/33/61/66/604336166.db2.gz	IKKJETPVNTUAIM-NSHDSACASA-N	-1	0	358.489	2.457	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccccc2C(=O)[O-])c1	ZINC000833733840	605034078	/nfs/dbraw/zinc/03/40/78/605034078.db2.gz	SHJKCUGJMUSXNN-SNVBAGLBSA-N	-1	0	351.380	2.139	20	10		FECDRM
COc1c(O)cccc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000011291102	669995331	/nfs/dbraw/zinc/99/53/31/669995331.db2.gz	RXWJTBAVVVMPSJ-FLIBITNWSA-N	-1	0	353.421	2.467	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000152410573	672180895	/nfs/dbraw/zinc/18/08/95/672180895.db2.gz	KNAUCFPUBVQAGZ-UHFFFAOYSA-N	-1	0	362.436	2.064	20	10		FECDRM
CC1(C)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[S@]1=O	ZINC000321937317	673041365	/nfs/dbraw/zinc/04/13/65/673041365.db2.gz	CLGSHZMRHOIYIG-JIBKAZCMSA-N	-1	0	352.412	2.430	20	10		FECDRM
CC1CCN(c2ccc(CNS(=O)(=O)CCCC(=O)[O-])cc2)CC1	ZINC000736799297	673540636	/nfs/dbraw/zinc/54/06/36/673540636.db2.gz	OGBJZHNFMVUXMT-UHFFFAOYSA-N	-1	0	354.472	2.207	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c[nH]1	ZINC000743045867	673747882	/nfs/dbraw/zinc/74/78/82/673747882.db2.gz	CKKLKRRGYKGJPD-UHFFFAOYSA-N	-1	0	364.408	2.121	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)NCc2ccc(N(C)C)cc2C)c1	ZINC000819289983	675277970	/nfs/dbraw/zinc/27/79/70/675277970.db2.gz	AODVQJRJFUAZCD-VWLOTQADSA-N	-1	0	360.479	2.494	20	10		FECDRM
COC[C@]1(C(=O)OC)CCCN1Cc1cccc(Br)c1[O-]	ZINC000827487982	675760043	/nfs/dbraw/zinc/76/00/43/675760043.db2.gz	BCYZOTBZUUMRSA-HNNXBMFYSA-N	-1	0	358.232	2.309	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)ccc1O	ZINC000830018031	677021740	/nfs/dbraw/zinc/02/17/40/677021740.db2.gz	CFVMDCOCIBCCMI-UHFFFAOYSA-N	-1	0	353.400	2.216	20	10		FECDRM
COc1ccc(O)c(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000751415610	680172773	/nfs/dbraw/zinc/17/27/73/680172773.db2.gz	UUBZOHYWSMVOJA-UHFFFAOYSA-N	-1	0	372.786	2.441	20	10		FECDRM
Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000753922855	680324487	/nfs/dbraw/zinc/32/44/87/680324487.db2.gz	FEFBDIMFUNSVJC-UHFFFAOYSA-N	-1	0	355.379	2.424	20	10		FECDRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766048839	680864470	/nfs/dbraw/zinc/86/44/70/680864470.db2.gz	WVJNRNCJNFHXPC-UHFFFAOYSA-N	-1	0	366.351	2.312	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C	ZINC000841677570	680905927	/nfs/dbraw/zinc/90/59/27/680905927.db2.gz	UHTQQAGDZDSCSF-SNVBAGLBSA-N	-1	0	365.411	2.073	20	10		FECDRM
CCN(CC)C(=O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775644462	681320855	/nfs/dbraw/zinc/32/08/55/681320855.db2.gz	HYCKDEZHUFPQLU-UHFFFAOYSA-N	-1	0	357.857	2.171	20	10		FECDRM
O=C([C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-])N1CCOCC1	ZINC000775678640	681323519	/nfs/dbraw/zinc/32/35/19/681323519.db2.gz	HKJLKQJQLUUALE-HNNXBMFYSA-N	-1	0	356.825	2.398	20	10		FECDRM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])ccc1C	ZINC000776434889	681391676	/nfs/dbraw/zinc/39/16/76/681391676.db2.gz	PKXRANVIPWEDFL-UHFFFAOYSA-N	-1	0	364.379	2.158	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)ccc1O	ZINC000776748412	681433005	/nfs/dbraw/zinc/43/30/05/681433005.db2.gz	GVUNMPDAARWTDA-UHFFFAOYSA-N	-1	0	370.814	2.019	20	10		FECDRM
O=C(OCCCCO)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000785408858	682295846	/nfs/dbraw/zinc/29/58/46/682295846.db2.gz	ZYISLLMRWYNISY-UHFFFAOYSA-N	-1	0	371.436	2.184	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](SC)C(C)(C)C)cc1	ZINC000853007321	682363446	/nfs/dbraw/zinc/36/34/46/682363446.db2.gz	UFFLHLPASPWYQS-OAHLLOKOSA-N	-1	0	368.499	2.480	20	10		FECDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)c(C)cc1C	ZINC000788067076	682500593	/nfs/dbraw/zinc/50/05/93/682500593.db2.gz	HHAVRYWIQRSTDA-UHFFFAOYSA-N	-1	0	361.379	2.427	20	10		FECDRM
O=S(=O)([N-]c1nc(-c2cccc(-n3cnnn3)c2)cs1)c1ccoc1	ZINC000795549045	683065429	/nfs/dbraw/zinc/06/54/29/683065429.db2.gz	PBLXUZHFOGTUFT-UHFFFAOYSA-N	-1	0	374.407	2.180	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)N2CCSC[C@H]2C(=O)[O-])cc1F	ZINC000797719781	683267174	/nfs/dbraw/zinc/26/71/74/683267174.db2.gz	SBESEGHWCWQSQC-HNNXBMFYSA-N	-1	0	369.462	2.384	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(F)cc1F	ZINC000797820281	683276341	/nfs/dbraw/zinc/27/63/41/683276341.db2.gz	OYDJLEBBXBJMTD-UHFFFAOYSA-N	-1	0	373.333	2.266	20	10		FECDRM
C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[C@H]1C(=O)[O-]	ZINC000864613385	683873355	/nfs/dbraw/zinc/87/33/55/683873355.db2.gz	TZBVBIHVSALUSJ-SMDDNHRTSA-N	-1	0	359.451	2.499	20	10		FECDRM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)c1ccccc1O	ZINC000867836135	684405266	/nfs/dbraw/zinc/40/52/66/684405266.db2.gz	HAAAHWCTHJYTGS-CABZTGNLSA-N	-1	0	369.361	2.257	20	10		FECDRM
Cc1nn(C)c(C)c1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360864	685203186	/nfs/dbraw/zinc/20/31/86/685203186.db2.gz	ZRPNORCRESPFLV-UHFFFAOYSA-N	-1	0	351.790	2.123	20	10		FECDRM
NS(=O)(=O)c1cccc2c1CCN(Cc1cccc(Cl)c1[O-])C2	ZINC000877761529	686450146	/nfs/dbraw/zinc/45/01/46/686450146.db2.gz	IMHFPWHOXOPUIP-UHFFFAOYSA-N	-1	0	352.843	2.251	20	10		FECDRM
CC1(C)CS(=O)(=O)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894737539	689585746	/nfs/dbraw/zinc/58/57/46/689585746.db2.gz	BWLAJFIVFALCDG-UHFFFAOYSA-N	-1	0	366.252	2.303	20	10		FECDRM
COC(=O)[C@@](C)(Cn1cccn1)NCc1cccc(Br)c1[O-]	ZINC000898340762	690161740	/nfs/dbraw/zinc/16/17/40/690161740.db2.gz	UAYKWHKAJCCWSZ-OAHLLOKOSA-N	-1	0	368.231	2.073	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CSC(=O)N1	ZINC000120991387	543686966	/nfs/dbraw/zinc/68/69/66/543686966.db2.gz	IMGRQRTYDWUNFF-JTQLQIEISA-N	-1	0	359.245	2.328	20	10		FECDRM
[O-]c1c(Br)cc(Br)cc1CN1CC[C@@H](O)C1	ZINC000132487581	544233059	/nfs/dbraw/zinc/23/30/59/544233059.db2.gz	BZTSUYFOYVDIQV-SECBINFHSA-N	-1	0	351.038	2.484	20	10		FECDRM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164346248	546149588	/nfs/dbraw/zinc/14/95/88/546149588.db2.gz	FNHREYZMLLDGAK-UHFFFAOYSA-N	-1	0	357.366	2.067	20	10		FECDRM
O=C(CN1CCN(Cc2cccc(Cl)c2[O-])CC1)N1CCCCC1	ZINC000179626294	546987782	/nfs/dbraw/zinc/98/77/82/546987782.db2.gz	ZNYUDYJIHXNPJY-UHFFFAOYSA-N	-1	0	351.878	2.176	20	10		FECDRM
C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273520609	550501527	/nfs/dbraw/zinc/50/15/27/550501527.db2.gz	UFUSCOABWACORD-GFCCVEGCSA-N	-1	0	356.382	2.410	20	10		FECDRM
Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c(O)c1O	ZINC000294019732	552875617	/nfs/dbraw/zinc/87/56/17/552875617.db2.gz	YWVIHDGUTZTYMO-MWLCHTKSSA-N	-1	0	360.332	2.078	20	10		FECDRM
Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(N3CCOCC3)cc2)s1	ZINC000364641461	555360149	/nfs/dbraw/zinc/36/01/49/555360149.db2.gz	AMXFCYJBZGOSRL-UHFFFAOYSA-N	-1	0	356.455	2.685	20	10		FECDRM
CN(C)c1ccc(C2=CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000365283356	555531981	/nfs/dbraw/zinc/53/19/81/555531981.db2.gz	DBEUMNNFEQPIFQ-UHFFFAOYSA-N	-1	0	369.387	2.435	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C[C@@H]1CCOc2ccccc21	ZINC000372304422	557434718	/nfs/dbraw/zinc/43/47/18/557434718.db2.gz	DSYFWGBQULUAAM-AAEUAGOBSA-N	-1	0	351.424	2.470	20	10		FECDRM
C[C@@H]1CN(CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000806665748	674385755	/nfs/dbraw/zinc/38/57/55/674385755.db2.gz	QNJQZEXPSIITEA-SNVBAGLBSA-N	-1	0	362.257	2.219	20	10		FECDRM
O=C([O-])CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000819484239	597222692	/nfs/dbraw/zinc/22/26/92/597222692.db2.gz	ADCMXUDWHZVELB-UHFFFAOYSA-N	-1	0	357.357	2.031	20	10		FECDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000737610219	600007402	/nfs/dbraw/zinc/00/74/02/600007402.db2.gz	KIEOQDIKCLKHAU-UHFFFAOYSA-N	-1	0	358.394	2.102	20	10		FECDRM
C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(N2CCOCC2)cc1	ZINC000736648485	600530142	/nfs/dbraw/zinc/53/01/42/600530142.db2.gz	YYMRGRYBZNFTAZ-ZDUSSCGKSA-N	-1	0	373.409	2.375	20	10		FECDRM
CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1	ZINC000737553232	600850644	/nfs/dbraw/zinc/85/06/44/600850644.db2.gz	XJQLQJPRWBBRKI-LFAOLKIESA-N	-1	0	365.389	2.060	20	10		FECDRM
O=C([O-])NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740625441	602096441	/nfs/dbraw/zinc/09/64/41/602096441.db2.gz	RFNNURVTMVIYES-INIZCTEOSA-N	-1	0	360.458	2.476	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCC2CCN(C(=O)[O-])CC2)cc1F	ZINC000739619800	602148639	/nfs/dbraw/zinc/14/86/39/602148639.db2.gz	ZSUYJCNMFBYNDX-UHFFFAOYSA-N	-1	0	352.410	2.081	20	10		FECDRM
O=C([O-])c1ccc2c(c1)CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	ZINC000833360034	602317507	/nfs/dbraw/zinc/31/75/07/602317507.db2.gz	DFFDQFRTDWDEOH-UHFFFAOYSA-N	-1	0	355.306	2.144	20	10		FECDRM
O=C([O-])N1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	ZINC000740507304	602634410	/nfs/dbraw/zinc/63/44/10/602634410.db2.gz	PAJAHABHCRBPLP-CQSZACIVSA-N	-1	0	359.382	2.449	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CCC2CCOCC2)NC(=O)[O-])cc1	ZINC000828064125	603029771	/nfs/dbraw/zinc/02/97/71/603029771.db2.gz	LRHQBZALICXTGZ-QGZVFWFLSA-N	-1	0	363.458	2.384	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3O2)NC(=O)[O-])cc1	ZINC000828056984	603032287	/nfs/dbraw/zinc/03/22/87/603032287.db2.gz	YDBQJBPWAANHDN-FUHWJXTLSA-N	-1	0	369.421	2.181	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1	ZINC000833733911	604508155	/nfs/dbraw/zinc/50/81/55/604508155.db2.gz	VKCJFJYYLDLXDM-MRVPVSSYSA-N	-1	0	355.368	2.040	20	10		FECDRM
Cc1[nH]c(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1C(=O)[O-]	ZINC000832843937	604765148	/nfs/dbraw/zinc/76/51/48/604765148.db2.gz	JJZWOQPIMSYBQY-GQCTYLIASA-N	-1	0	359.334	2.180	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000833696018	604951232	/nfs/dbraw/zinc/95/12/32/604951232.db2.gz	ZZOQLNHAQMVTNW-FQEVSTJZSA-N	-1	0	369.465	2.469	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1	ZINC000833733847	605034033	/nfs/dbraw/zinc/03/40/33/605034033.db2.gz	SNZWTYOVLWDHJE-LLVKDONJSA-N	-1	0	365.407	2.447	20	10		FECDRM
O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCc1ccc(N2CCCC2)cc1	ZINC000831517440	605263793	/nfs/dbraw/zinc/26/37/93/605263793.db2.gz	RYYVDHHNLWGPDG-QGZVFWFLSA-N	-1	0	361.442	2.062	20	10		FECDRM
CC(C)(CNC(=O)[O-])NC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000823986187	605565675	/nfs/dbraw/zinc/56/56/75/605565675.db2.gz	MOVAEALKCCMESA-UHFFFAOYSA-N	-1	0	366.487	2.085	20	10		FECDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000824292228	605667347	/nfs/dbraw/zinc/66/73/47/605667347.db2.gz	PMNYCSXOYWHSOF-YOEHRIQHSA-N	-1	0	363.458	2.383	20	10		FECDRM
O=C([O-])NCCc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1	ZINC000834245146	605696219	/nfs/dbraw/zinc/69/62/19/605696219.db2.gz	NCRCQKSWGJGRLJ-VURMDHGXSA-N	-1	0	356.378	2.238	20	10		FECDRM
CCN(Cc1cc(Br)ccc1O)C(=O)C1(NC(=O)[O-])CC1	ZINC000827156720	605791869	/nfs/dbraw/zinc/79/18/69/605791869.db2.gz	LGAADYMYCVGVQR-UHFFFAOYSA-N	-1	0	357.204	2.303	20	10		FECDRM
CN(Cc1cc(Cl)c(F)cc1[O-])Cc1ccccc1S(N)(=O)=O	ZINC000816626986	675069516	/nfs/dbraw/zinc/06/95/16/675069516.db2.gz	BFJJOSVUDKPUIF-UHFFFAOYSA-N	-1	0	358.822	2.464	20	10		FECDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1	ZINC000023398221	670048432	/nfs/dbraw/zinc/04/84/32/670048432.db2.gz	MBDVDYBWTHAUEV-UHFFFAOYSA-N	-1	0	362.379	2.137	20	10		FECDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000023397986	670048515	/nfs/dbraw/zinc/04/85/15/670048515.db2.gz	XSLKWVVDHZXYQF-UHFFFAOYSA-N	-1	0	362.379	2.137	20	10		FECDRM
Cc1c(Cl)c(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)nn1C	ZINC000817707841	675163675	/nfs/dbraw/zinc/16/36/75/675163675.db2.gz	PAYBJDQSTQCCTL-TWGQIWQCSA-N	-1	0	359.860	2.448	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21	ZINC000184969869	672514662	/nfs/dbraw/zinc/51/46/62/672514662.db2.gz	AQBQOMMLLPGJIM-UHFFFAOYSA-N	-1	0	360.435	2.246	20	10		FECDRM
O=S(=O)([N-]c1nc(-c2ccccn2)cs1)c1cnn(CC(F)F)c1	ZINC000188003486	672581302	/nfs/dbraw/zinc/58/13/02/672581302.db2.gz	VVDRITXUMOJCDZ-UHFFFAOYSA-N	-1	0	371.394	2.468	20	10		FECDRM
Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000262397672	672914618	/nfs/dbraw/zinc/91/46/18/672914618.db2.gz	NDXXAPLUXVVHHU-KRWDZBQOSA-N	-1	0	350.802	2.313	20	10		FECDRM
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)[O-]	ZINC000326719444	673054806	/nfs/dbraw/zinc/05/48/06/673054806.db2.gz	DYFGHDTTZAWJHF-UHFFFAOYSA-N	-1	0	365.363	2.313	20	10		FECDRM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000821199104	675420997	/nfs/dbraw/zinc/42/09/97/675420997.db2.gz	UEYPDRXZGHHFMF-UHFFFAOYSA-N	-1	0	357.771	2.339	20	10		FECDRM
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCN1S(C)(=O)=O	ZINC000827271364	675744506	/nfs/dbraw/zinc/74/45/06/675744506.db2.gz	NNSLNXLNPCMYHN-SECBINFHSA-N	-1	0	353.271	2.165	20	10		FECDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cnc(CC)s2)ccc1O	ZINC000830018194	677021760	/nfs/dbraw/zinc/02/17/60/677021760.db2.gz	HIWSAAGTMHILOW-UHFFFAOYSA-N	-1	0	356.425	2.389	20	10		FECDRM
COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765090265	680830728	/nfs/dbraw/zinc/83/07/28/680830728.db2.gz	PJYWZFMDCJNITB-UHFFFAOYSA-N	-1	0	367.770	2.464	20	10		FECDRM
CCn1nc(C)c(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840731742	680839770	/nfs/dbraw/zinc/83/97/70/680839770.db2.gz	OCARHRSCIDMUOO-XFXZXTDPSA-N	-1	0	368.484	2.453	20	10		FECDRM
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000831007726	679906937	/nfs/dbraw/zinc/90/69/37/679906937.db2.gz	LVEHZKZONDLOTH-CABCVRRESA-N	-1	0	363.483	2.292	20	10		FECDRM
O=C(O[C@@H]1CCOC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000837678458	680633509	/nfs/dbraw/zinc/63/35/09/680633509.db2.gz	KBGLTSGNXDYGAV-LLVKDONJSA-N	-1	0	369.420	2.200	20	10		FECDRM
CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000768227749	680941375	/nfs/dbraw/zinc/94/13/75/680941375.db2.gz	HTBVVOUGQHKGST-GFCCVEGCSA-N	-1	0	360.819	2.434	20	10		FECDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cc(OC)ccc1O	ZINC000769539893	680986459	/nfs/dbraw/zinc/98/64/59/680986459.db2.gz	ZTXAHEKKLZBCEU-UHFFFAOYSA-N	-1	0	364.423	2.092	20	10		FECDRM
Cc1cc(C(=O)N(C)CC(=O)[O-])c(C)n1-c1ccc(Br)cn1	ZINC000843325096	680998392	/nfs/dbraw/zinc/99/83/92/680998392.db2.gz	DEBDDPCXQLJOQM-UHFFFAOYSA-N	-1	0	366.215	2.408	20	10		FECDRM
NC(=O)COc1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000770408971	681015503	/nfs/dbraw/zinc/01/55/03/681015503.db2.gz	ULPMBKNQZNCVJV-UHFFFAOYSA-N	-1	0	351.746	2.430	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1	ZINC000844301504	681049281	/nfs/dbraw/zinc/04/92/81/681049281.db2.gz	TXLOKPUTXXPXKN-UHFFFAOYSA-N	-1	0	362.451	2.200	20	10		FECDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1n[n-]c(=S)s1	ZINC000773749085	681154434	/nfs/dbraw/zinc/15/44/34/681154434.db2.gz	OJLVYDOCELVRBG-ZETCQYMHSA-N	-1	0	357.482	2.078	20	10		FECDRM
COCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)c1	ZINC000775286049	681291690	/nfs/dbraw/zinc/29/16/90/681291690.db2.gz	AHNSFDDMSOABJG-UHFFFAOYSA-N	-1	0	351.380	2.126	20	10		FECDRM
O=C([O-])[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C1CCC1	ZINC000854236969	682527301	/nfs/dbraw/zinc/52/73/01/682527301.db2.gz	ZQAPVTHOWPTHMW-LBPRGKRZSA-N	-1	0	371.231	2.455	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1	ZINC000790409287	682674486	/nfs/dbraw/zinc/67/44/86/682674486.db2.gz	MPXBIWVOTSBNKO-UHFFFAOYSA-N	-1	0	367.427	2.140	20	10		FECDRM
CC(=O)NCc1ccc(-c2csc([N-]S(=O)(=O)c3ccoc3)n2)o1	ZINC000795549567	683065419	/nfs/dbraw/zinc/06/54/19/683065419.db2.gz	QJUDOCGKDQXTKJ-UHFFFAOYSA-N	-1	0	367.408	2.433	20	10		FECDRM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797819534	683275849	/nfs/dbraw/zinc/27/58/49/683275849.db2.gz	LFQOCEBCUJICKW-UHFFFAOYSA-N	-1	0	371.386	2.366	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c([N+](=O)[O-])c1	ZINC000797819978	683276208	/nfs/dbraw/zinc/27/62/08/683276208.db2.gz	ZUOJSLOWCLSIGO-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(OC)c1	ZINC000797820254	683276216	/nfs/dbraw/zinc/27/62/16/683276216.db2.gz	NPMBGLWVGOEQBO-UHFFFAOYSA-N	-1	0	351.380	2.462	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1O	ZINC000797820184	683276393	/nfs/dbraw/zinc/27/63/93/683276393.db2.gz	KHKAVJYOMZGPSZ-UHFFFAOYSA-N	-1	0	354.340	2.118	20	10		FECDRM
O=C(NCCO)c1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000798081142	683306836	/nfs/dbraw/zinc/30/68/36/683306836.db2.gz	ZMLAUAAPEUYRPN-UHFFFAOYSA-N	-1	0	365.773	2.288	20	10		FECDRM
CC[C@@H](CC(F)(F)F)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872992024	685045042	/nfs/dbraw/zinc/04/50/42/685045042.db2.gz	UWFXBPDNUCRRPK-NSHDSACASA-N	-1	0	362.348	2.433	20	10		FECDRM
C[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)n1ccnc1	ZINC000911359572	685202350	/nfs/dbraw/zinc/20/23/50/685202350.db2.gz	BIVRZDHPXCLAEW-LLVKDONJSA-N	-1	0	351.790	2.307	20	10		FECDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1csc([C@@H]2CCCO2)n1	ZINC000911494895	685217404	/nfs/dbraw/zinc/21/74/04/685217404.db2.gz	ZWLJLQBFCGQRRG-AWEZNQCLSA-N	-1	0	362.407	2.427	20	10		FECDRM
CCOc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)nn1	ZINC000877640773	686427574	/nfs/dbraw/zinc/42/75/74/686427574.db2.gz	FSCLJHHVUBCNSM-UHFFFAOYSA-N	-1	0	350.369	2.181	20	10		FECDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1cccc(Cl)c1O	ZINC000890759948	688963047	/nfs/dbraw/zinc/96/30/47/688963047.db2.gz	WXTYKCVDBNDYAN-JTQLQIEISA-N	-1	0	352.740	2.365	20	10		FECDRM
O=C1CN(Cc2cc(Br)cc(F)c2[O-])CN1CC(F)(F)F	ZINC000894555405	689553993	/nfs/dbraw/zinc/55/39/93/689553993.db2.gz	MAOXJMUHAYTXPI-UHFFFAOYSA-N	-1	0	371.128	2.458	20	10		FECDRM
CS(=O)(=O)C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894845108	689607110	/nfs/dbraw/zinc/60/71/10/689607110.db2.gz	YTPANUSOTNXNKM-SECBINFHSA-N	-1	0	366.252	2.160	20	10		FECDRM
O=C([O-])[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1	ZINC000852951233	939240393	/nfs/dbraw/zinc/24/03/93/939240393.db2.gz	PHXMDPOUAFCQCD-IUODEOHRSA-N	-1	0	368.380	2.484	20	10		FECDRM
CN(C)c1ccc(CNC(=O)CSc2n[n-]c(=S)s2)cc1F	ZINC000080610353	542597417	/nfs/dbraw/zinc/59/74/17/542597417.db2.gz	NIEYLQGRIVASKU-UHFFFAOYSA-N	-1	0	358.489	2.440	20	10		FECDRM
CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)CS(C)(=O)=O	ZINC000093390462	542930131	/nfs/dbraw/zinc/93/01/31/542930131.db2.gz	OZKVAZPOMIPMRC-VIFPVBQESA-N	-1	0	350.824	2.209	20	10		FECDRM
CC(C)N(C)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cn1	ZINC000276724692	550589334	/nfs/dbraw/zinc/58/93/34/550589334.db2.gz	STDUOCGKUUDSJF-IZZDOVSWSA-N	-1	0	351.453	2.212	20	10		FECDRM
COc1ccccc1C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000277359010	550660865	/nfs/dbraw/zinc/66/08/65/550660865.db2.gz	PSBAMUNZZBLCBR-CQSZACIVSA-N	-1	0	360.366	2.342	20	10		FECDRM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000280543478	551006106	/nfs/dbraw/zinc/00/61/06/551006106.db2.gz	IIIKXIZHEJJPHR-UHFFFAOYSA-N	-1	0	355.368	2.198	20	10		FECDRM
Cc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1S(=O)(=O)N(C)C	ZINC000285947078	551830598	/nfs/dbraw/zinc/83/05/98/551830598.db2.gz	MLOZTJZDNJCQLX-UHFFFAOYSA-N	-1	0	365.411	2.471	20	10		FECDRM
O=C(CCn1ccnc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000363730870	555173613	/nfs/dbraw/zinc/17/36/13/555173613.db2.gz	ROMPNWKOTJKYON-MRXNPFEDSA-N	-1	0	362.861	2.413	20	10		FECDRM
O=C(N[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C1CCC1	ZINC000378347423	558534998	/nfs/dbraw/zinc/53/49/98/558534998.db2.gz	IMSJWJQOLTWGJI-CYBMUJFWSA-N	-1	0	353.806	2.444	20	10		FECDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000408404860	558674050	/nfs/dbraw/zinc/67/40/50/558674050.db2.gz	BCUZXOPDVNJMHG-ZDUSSCGKSA-N	-1	0	368.480	2.394	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)c3ccc(C(=O)[O-])nc3)CC2)cc1	ZINC000730968789	599837145	/nfs/dbraw/zinc/83/71/45/599837145.db2.gz	SLOXCDSKKNESFO-UHFFFAOYSA-N	-1	0	355.394	2.187	20	10		FECDRM
Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1C(=O)[O-]	ZINC000738416725	600042779	/nfs/dbraw/zinc/04/27/79/600042779.db2.gz	TVNGNEKXERMSTF-UHFFFAOYSA-N	-1	0	355.394	2.014	20	10		FECDRM
COC(=O)CN(C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C	ZINC000737603659	600069006	/nfs/dbraw/zinc/06/90/06/600069006.db2.gz	GAHNODZRHUMEJR-UHFFFAOYSA-N	-1	0	358.394	2.080	20	10		FECDRM
CCNC(=O)CN(C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C	ZINC000737124267	600087500	/nfs/dbraw/zinc/08/75/00/600087500.db2.gz	JIWCNGADUOUOMS-UHFFFAOYSA-N	-1	0	371.437	2.043	20	10		FECDRM
CC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000736943595	600213786	/nfs/dbraw/zinc/21/37/86/600213786.db2.gz	PGZFJBVZBIELJI-KEDPEKRHSA-N	-1	0	363.414	2.240	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000737476506	600307664	/nfs/dbraw/zinc/30/76/64/600307664.db2.gz	JGLIGYGBXBSLME-UHFFFAOYSA-N	-1	0	373.384	2.187	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000738402390	600639392	/nfs/dbraw/zinc/63/93/92/600639392.db2.gz	QTNQTNDEKZFXLN-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1ccccc1C(=O)[O-]	ZINC000737052094	600647273	/nfs/dbraw/zinc/64/72/73/600647273.db2.gz	GJHALPGUBXVGQZ-CMDGGOBGSA-N	-1	0	353.378	2.206	20	10		FECDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000833184066	600897296	/nfs/dbraw/zinc/89/72/96/600897296.db2.gz	NDGDJKNMOVLWPJ-GJZGRUSLSA-N	-1	0	364.417	2.170	20	10		FECDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000833179262	600920977	/nfs/dbraw/zinc/92/09/77/600920977.db2.gz	OBMFSJHZCOQMKA-DDTOSNHZSA-N	-1	0	354.353	2.094	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC000830639844	600992010	/nfs/dbraw/zinc/99/20/10/600992010.db2.gz	QWFRWRBZQRCGBO-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
COC(=O)C[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC000831147700	601375553	/nfs/dbraw/zinc/37/55/53/601375553.db2.gz	GYFNNIZFGAIBEM-ZDUSSCGKSA-N	-1	0	359.378	2.008	20	10		FECDRM
CO[C@H](C)c1noc(CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000831505412	601434517	/nfs/dbraw/zinc/43/45/17/601434517.db2.gz	PNFLUCIAARMSNC-ONRRBMGISA-N	-1	0	362.342	2.419	20	10		FECDRM
COc1cccc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1O	ZINC000832553932	601756608	/nfs/dbraw/zinc/75/66/08/601756608.db2.gz	IILPWJKEFOYQEP-UHFFFAOYSA-N	-1	0	359.378	2.411	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)cc1F	ZINC000739616352	602148697	/nfs/dbraw/zinc/14/86/97/602148697.db2.gz	ARCIPODKUGJMOM-ZDUSSCGKSA-N	-1	0	352.410	2.081	20	10		FECDRM
C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(N2CCOCC2)cc1	ZINC000827672899	602363793	/nfs/dbraw/zinc/36/37/93/602363793.db2.gz	XTFQUZDNQMLCKB-ZDUSSCGKSA-N	-1	0	372.425	2.443	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739925338	602419692	/nfs/dbraw/zinc/41/96/92/602419692.db2.gz	LZPRIJMWXWIPSC-NWDGAFQWSA-N	-1	0	351.403	2.151	20	10		FECDRM
O=C([O-])c1cccc2c1N(S(=O)(=O)c1cccc3nsnc31)CC2	ZINC000558683246	674510546	/nfs/dbraw/zinc/51/05/46/674510546.db2.gz	ROMOSRACIMMNNC-UHFFFAOYSA-N	-1	0	361.404	2.141	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)cn2C)NC(=O)[O-])cc1	ZINC000828064658	603024078	/nfs/dbraw/zinc/02/40/78/603024078.db2.gz	VOGLJBAZMIMVHV-AWEZNQCLSA-N	-1	0	364.833	2.483	20	10		FECDRM
O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000740576959	603026829	/nfs/dbraw/zinc/02/68/29/603026829.db2.gz	ZZAFNSWKQADOLA-JKSUJKDBSA-N	-1	0	363.483	2.292	20	10		FECDRM
COc1ccccc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829585948	603033599	/nfs/dbraw/zinc/03/35/99/603033599.db2.gz	NDOVJTFCHDCFGE-INIZCTEOSA-N	-1	0	357.410	2.500	20	10		FECDRM
C[C@H](Oc1cccnc1)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825616243	603033691	/nfs/dbraw/zinc/03/36/91/603033691.db2.gz	AHCFYWVPWORFMU-SUMWQHHRSA-N	-1	0	372.425	2.040	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)CSC(F)(F)F)NC(=O)[O-])cc1	ZINC000828063357	603034204	/nfs/dbraw/zinc/03/42/04/603034204.db2.gz	DENRJEJGGUQSAN-NSHDSACASA-N	-1	0	365.377	2.431	20	10		FECDRM
O=C([O-])NCc1nc(C(=O)NCCCSc2nccs2)cs1	ZINC000740685553	603117244	/nfs/dbraw/zinc/11/72/44/603117244.db2.gz	XQQLVTRZWIVFCO-UHFFFAOYSA-N	-1	0	358.470	2.279	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000739765972	603405434	/nfs/dbraw/zinc/40/54/34/603405434.db2.gz	XUAGZZJCGDWFBO-FJYXQWIHSA-N	-1	0	363.370	2.263	20	10		FECDRM
C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825109206	603415672	/nfs/dbraw/zinc/41/56/72/603415672.db2.gz	SNWPLIQPGRSIAL-YOEHRIQHSA-N	-1	0	361.442	2.233	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSCCS2)NC(=O)[O-])cc1	ZINC000828056933	603462675	/nfs/dbraw/zinc/46/26/75/603462675.db2.gz	WUNWQKXLDOCNRM-UONOGXRCSA-N	-1	0	369.512	2.026	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829423132	603552401	/nfs/dbraw/zinc/55/24/01/603552401.db2.gz	BJHMTZGQDYBAND-UKRRQHHQSA-N	-1	0	361.442	2.217	20	10		FECDRM
C[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)c1cccnc1	ZINC000823687601	603853642	/nfs/dbraw/zinc/85/36/42/603853642.db2.gz	XWWXHNBENZATBK-SUMWQHHRSA-N	-1	0	356.426	2.376	20	10		FECDRM
C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1	ZINC000825403812	604120555	/nfs/dbraw/zinc/12/05/55/604120555.db2.gz	ZIMRATWIPDFFFO-LBPRGKRZSA-N	-1	0	371.393	2.318	20	10		FECDRM
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1	ZINC000827822258	604337116	/nfs/dbraw/zinc/33/71/16/604337116.db2.gz	JSOFQWGWCXXEIP-LLVKDONJSA-N	-1	0	358.489	2.409	20	10		FECDRM
Cc1cc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)c(C)n1-c1ccccn1	ZINC000832868381	604673960	/nfs/dbraw/zinc/67/39/60/604673960.db2.gz	KNYDVCLZXUGWOG-ZDUSSCGKSA-N	-1	0	369.381	2.083	20	10		FECDRM
CN(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1C(=O)[O-]	ZINC000833685275	604951023	/nfs/dbraw/zinc/95/10/23/604951023.db2.gz	DRIRORPEUULDND-VQHVLOKHSA-N	-1	0	371.345	2.015	20	10		FECDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000825825029	605384259	/nfs/dbraw/zinc/38/42/59/605384259.db2.gz	WYJCWDCWBLZPDH-CJNGLKHVSA-N	-1	0	360.458	2.399	20	10		FECDRM
O=C([O-])N1CCC(C(=O)NCc2ccc(O)c(O)c2)(c2ccccc2)CC1	ZINC000834075448	605548406	/nfs/dbraw/zinc/54/84/06/605548406.db2.gz	QTGFFLWNKCVFBP-UHFFFAOYSA-N	-1	0	370.405	2.426	20	10		FECDRM
COc1cccc(CNC(=O)[C@H](NC(=O)[O-])c2ccccc2OC)c1O	ZINC000829611555	605874604	/nfs/dbraw/zinc/87/46/04/605874604.db2.gz	PBUIECGAQYBEND-OAHLLOKOSA-N	-1	0	360.366	2.035	20	10		FECDRM
O=C([O-])NC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000834214150	605970174	/nfs/dbraw/zinc/97/01/74/605970174.db2.gz	FILGYVKJSIKUGH-KRWDZBQOSA-N	-1	0	358.442	2.395	20	10		FECDRM
O=C([O-])N[C@@H](CC(F)F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000834131329	606080500	/nfs/dbraw/zinc/08/05/00/606080500.db2.gz	UCKGMYDVOVVYPG-STQMWFEESA-N	-1	0	372.368	2.191	20	10		FECDRM
C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816519367	675062020	/nfs/dbraw/zinc/06/20/20/675062020.db2.gz	HPQRLSPADSVIDH-ZDUSSCGKSA-N	-1	0	369.868	2.313	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)c(C)n1-c1ccccn1	ZINC000121051184	671941308	/nfs/dbraw/zinc/94/13/08/671941308.db2.gz	KFVJUJIIAFGSRH-UHFFFAOYSA-N	-1	0	356.407	2.003	20	10		FECDRM
O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1cccc2nonc21	ZINC000129243271	672059180	/nfs/dbraw/zinc/05/91/80/672059180.db2.gz	OACXPPXWLVGQCU-UHFFFAOYSA-N	-1	0	359.342	2.348	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1	ZINC000184885743	672510226	/nfs/dbraw/zinc/51/02/26/672510226.db2.gz	BCYXBPGKJBTEEC-UHFFFAOYSA-N	-1	0	370.377	2.208	20	10		FECDRM
CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000824914127	675628738	/nfs/dbraw/zinc/62/87/38/675628738.db2.gz	MELXMMKKSLVSCU-GFCCVEGCSA-N	-1	0	362.835	2.353	20	10		FECDRM
O=C(Nc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1)C1CC1	ZINC000765040885	680828473	/nfs/dbraw/zinc/82/84/73/680828473.db2.gz	KMAYNGIFSIIYJH-UHFFFAOYSA-N	-1	0	358.379	2.372	20	10		FECDRM
COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(OC)c1OC	ZINC000765084923	680830418	/nfs/dbraw/zinc/83/04/18/680830418.db2.gz	ZHQPVIYOSGMXIF-UHFFFAOYSA-N	-1	0	365.367	2.049	20	10		FECDRM
CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753018496	680270939	/nfs/dbraw/zinc/27/09/39/680270939.db2.gz	NLYCIWIVDHVURI-UHFFFAOYSA-N	-1	0	357.338	2.223	20	10		FECDRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000758775302	680606841	/nfs/dbraw/zinc/60/68/41/680606841.db2.gz	VIAZNCQSSGZXNR-UHFFFAOYSA-N	-1	0	366.351	2.312	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1F	ZINC000768279289	680942505	/nfs/dbraw/zinc/94/25/05/680942505.db2.gz	JTNFDIOVXSZOCI-UHFFFAOYSA-N	-1	0	370.314	2.247	20	10		FECDRM
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000776434647	681391686	/nfs/dbraw/zinc/39/16/86/681391686.db2.gz	ICDGGXRDECTOTL-UHFFFAOYSA-N	-1	0	364.379	2.240	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c([N+](=O)[O-])c1	ZINC000776748389	681433058	/nfs/dbraw/zinc/43/30/58/681433058.db2.gz	FMYZFEZAKQUSIO-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000777650047	681517176	/nfs/dbraw/zinc/51/71/76/681517176.db2.gz	QFGROZWRJNPFMP-UHFFFAOYSA-N	-1	0	367.339	2.280	20	10		FECDRM
COc1ccc(N(C)CCN(C)S(=O)(=O)c2ccccc2[O-])cc1	ZINC000849402160	681714830	/nfs/dbraw/zinc/71/48/30/681714830.db2.gz	UMJFCBQHPWOTID-UHFFFAOYSA-N	-1	0	350.440	2.158	20	10		FECDRM
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CC(F)(F)C1	ZINC000782853340	682087495	/nfs/dbraw/zinc/08/74/95/682087495.db2.gz	CUDSQZZDYWCSNU-UHFFFAOYSA-N	-1	0	374.390	2.346	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H](C)CC(F)(F)F)cc1	ZINC000853010542	682363262	/nfs/dbraw/zinc/36/32/62/682363262.db2.gz	FICLYLPWDGCCGG-LLVKDONJSA-N	-1	0	362.348	2.291	20	10		FECDRM
CCc1nc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cn1CC1CC1	ZINC000853029054	682365688	/nfs/dbraw/zinc/36/56/88/682365688.db2.gz	HTIBYRLYMGKRJW-UHFFFAOYSA-N	-1	0	351.428	2.371	20	10		FECDRM
O=C([O-])[C@@H](CNC(=O)NCc1cccc(Br)c1O)C1CCC1	ZINC000854234389	682527310	/nfs/dbraw/zinc/52/73/10/682527310.db2.gz	FCQUYWJXKQXJRF-NSHDSACASA-N	-1	0	371.231	2.455	20	10		FECDRM
CCOC(=O)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOC1	ZINC000789580119	682619113	/nfs/dbraw/zinc/61/91/13/682619113.db2.gz	LHVDLSHRWFVAFN-IINYFYTJSA-N	-1	0	372.805	2.402	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1	ZINC000795349207	683042656	/nfs/dbraw/zinc/04/26/56/683042656.db2.gz	WBOOPYGQHXWJMJ-UHFFFAOYSA-N	-1	0	368.411	2.406	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	ZINC000861729551	683461500	/nfs/dbraw/zinc/46/15/00/683461500.db2.gz	ZFYZKHIQXVLPFG-LSSIXWDNSA-N	-1	0	372.204	2.036	20	10		FECDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)S[C@H](C)C(=O)[O-])C2)cc1	ZINC000872874835	685027820	/nfs/dbraw/zinc/02/78/20/685027820.db2.gz	QBAFDBBCSVICPZ-BFHYXJOUSA-N	-1	0	366.483	2.233	20	10		FECDRM
C[N@H+](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)CC(C)(C)C	ZINC000911360012	685202575	/nfs/dbraw/zinc/20/25/75/685202575.db2.gz	KSXYJJBXCBRYQT-UHFFFAOYSA-N	-1	0	356.850	2.437	20	10		FECDRM
C[C@@H](Cc1cnn(C)c1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360863	685203055	/nfs/dbraw/zinc/20/30/55/685203055.db2.gz	ZPRDIOXJWNWUJY-NSHDSACASA-N	-1	0	365.817	2.071	20	10		FECDRM
CCn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(F)c(F)c2[O-])cn1	ZINC000877474703	686385037	/nfs/dbraw/zinc/38/50/37/686385037.db2.gz	CPHINFXSDPQZQP-LFPIHBKWSA-N	-1	0	355.410	2.192	20	10		FECDRM
Cn1cnc(-c2nnc3n2CCN(Cc2cc(Cl)cc(F)c2[O-])C3)c1	ZINC000877745620	686447811	/nfs/dbraw/zinc/44/78/11/686447811.db2.gz	DSOVCDVGAHUSRI-UHFFFAOYSA-N	-1	0	362.796	2.193	20	10		FECDRM
[O-]c1c(F)cc(Br)cc1CN1CCN(c2ncccn2)CC1	ZINC000893872468	689421391	/nfs/dbraw/zinc/42/13/91/689421391.db2.gz	UHBHHMMBTWPXCK-UHFFFAOYSA-N	-1	0	367.222	2.406	20	10		FECDRM
C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894038756	689454450	/nfs/dbraw/zinc/45/44/50/689454450.db2.gz	FSXQNHSPKKRSHD-BDAKNGLRSA-N	-1	0	366.252	2.301	20	10		FECDRM
C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC[S@](=O)C1	ZINC000894567617	689556251	/nfs/dbraw/zinc/55/62/51/689556251.db2.gz	WSVZYWOVKVPVEK-HOGDKLEQSA-N	-1	0	350.253	2.494	20	10		FECDRM
C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-]	ZINC000895323670	689695595	/nfs/dbraw/zinc/69/55/95/689695595.db2.gz	FVMOOVCBGQKJPL-ZWNOBZJWSA-N	-1	0	350.640	2.126	20	10		FECDRM
Cn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)c(F)cc2[O-])cn1	ZINC000895380274	689706959	/nfs/dbraw/zinc/70/69/59/689706959.db2.gz	NZIBOVAHYKPDAM-QKFKETGDSA-N	-1	0	357.838	2.224	20	10		FECDRM
[O-]c1c(Br)cc(Br)cc1CN1C[C@H]2C[C@@]2(O)C1	ZINC000895651938	689750048	/nfs/dbraw/zinc/75/00/48/689750048.db2.gz	DSWLAINMHGPUDK-PRHODGIISA-N	-1	0	363.049	2.484	20	10		FECDRM
Cn1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c(C2CC2)n1	ZINC000899341719	690339169	/nfs/dbraw/zinc/33/91/69/690339169.db2.gz	HWSSJGFWMFBYFP-YRNVUSSQSA-N	-1	0	351.453	2.364	20	10		FECDRM
O=C([O-])c1cc(/C=C2/SC(N3CCOCC3)=NC2=O)sc1Cl	ZINC000899344665	690339229	/nfs/dbraw/zinc/33/92/29/690339229.db2.gz	VFEBRJXHQZDKGR-RMKNXTFCSA-N	-1	0	358.828	2.402	20	10		FECDRM
C[C@H](CN1CCOCC1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000804917464	674306577	/nfs/dbraw/zinc/30/65/77/674306577.db2.gz	PQYIUOSBBBHHNZ-SNVBAGLBSA-N	-1	0	362.257	2.219	20	10		FECDRM
O=S(=O)([C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1)N1CCCC1	ZINC000191447892	548345321	/nfs/dbraw/zinc/34/53/21/548345321.db2.gz	IBXAIGIWMYTLFD-NSHDSACASA-N	-1	0	362.854	2.185	20	10		FECDRM
CC1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1(=O)=O	ZINC000195203812	548596427	/nfs/dbraw/zinc/59/64/27/548596427.db2.gz	GDWHBWPMVMPRTB-UHFFFAOYSA-N	-1	0	362.835	2.353	20	10		FECDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	ZINC000262376957	549815488	/nfs/dbraw/zinc/81/54/88/549815488.db2.gz	HMQHDNQRVYYVOO-UHFFFAOYSA-N	-1	0	360.410	2.276	20	10		FECDRM
O=C(c1c(F)ccc(O)c1O)N1CCCN(Cc2cscn2)CC1	ZINC000276509487	550578694	/nfs/dbraw/zinc/57/86/94/550578694.db2.gz	AXABKWMUICCOPJ-UHFFFAOYSA-N	-1	0	351.403	2.042	20	10		FECDRM
COCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000290356512	552466180	/nfs/dbraw/zinc/46/61/80/552466180.db2.gz	GMUNCTQAPDVKSD-GFCCVEGCSA-N	-1	0	368.282	2.335	20	10		FECDRM
O=C(CCn1ccnc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000363730868	555173565	/nfs/dbraw/zinc/17/35/65/555173565.db2.gz	ROMPNWKOTJKYON-INIZCTEOSA-N	-1	0	362.861	2.413	20	10		FECDRM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)c1OC	ZINC000806553932	674381004	/nfs/dbraw/zinc/38/10/04/674381004.db2.gz	DLXMLWUCPQTSCR-IZZDOVSWSA-N	-1	0	353.421	2.298	20	10		FECDRM
O=C(CC(=O)NCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838007	674431191	/nfs/dbraw/zinc/43/11/91/674431191.db2.gz	HHBVNOHMZRFJMJ-UHFFFAOYSA-N	-1	0	359.131	2.384	20	10		FECDRM
CC(C)C(=O)N1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000736345468	599767760	/nfs/dbraw/zinc/76/77/60/599767760.db2.gz	PSEHMELMCJRNCV-ALCCZGGFSA-N	-1	0	361.398	2.387	20	10		FECDRM
Cc1cc(C(=O)CN2CCO[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1	ZINC000738250314	599974123	/nfs/dbraw/zinc/97/41/23/599974123.db2.gz	LESBCYDDFLOOBH-IBGZPJMESA-N	-1	0	356.422	2.371	20	10		FECDRM
CN1CCCc2cc(CNS(=O)(=O)Cc3cccc(C(=O)[O-])c3)ccc21	ZINC000737519563	600228940	/nfs/dbraw/zinc/22/89/40/600228940.db2.gz	YKCVYKSIXYWCAP-UHFFFAOYSA-N	-1	0	374.462	2.387	20	10		FECDRM
COCCOC1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000737814025	600260986	/nfs/dbraw/zinc/26/09/86/600260986.db2.gz	YOUJAVMASLYEJU-HWKANZROSA-N	-1	0	350.371	2.324	20	10		FECDRM
O=C([O-])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000739572535	600489422	/nfs/dbraw/zinc/48/94/22/600489422.db2.gz	WTGDBLAORWOKFQ-OAHLLOKOSA-N	-1	0	363.483	2.246	20	10		FECDRM
C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1	ZINC000736643147	600562777	/nfs/dbraw/zinc/56/27/77/600562777.db2.gz	ROZYKLZGCYKZOG-CQSZACIVSA-N	-1	0	361.442	2.090	20	10		FECDRM
Cc1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c(C)n1-c1ccccc1C	ZINC000738756797	600579482	/nfs/dbraw/zinc/57/94/82/600579482.db2.gz	UEIDWXJVKCXSCP-UHFFFAOYSA-N	-1	0	353.382	2.400	20	10		FECDRM
CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccsc1C(=O)[O-]	ZINC000830643842	601045815	/nfs/dbraw/zinc/04/58/15/601045815.db2.gz	NLWONNWWGTXEOC-UHFFFAOYSA-N	-1	0	361.423	2.350	20	10		FECDRM
Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C(=O)[O-]	ZINC000832937860	601163493	/nfs/dbraw/zinc/16/34/93/601163493.db2.gz	FVNSMKPUOYDNAB-UHFFFAOYSA-N	-1	0	373.384	2.153	20	10		FECDRM
Cc1oc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1C(=O)[O-]	ZINC000832889398	601221888	/nfs/dbraw/zinc/22/18/88/601221888.db2.gz	SFENEGLHAOYSGT-UHFFFAOYSA-N	-1	0	352.412	2.139	20	10		FECDRM
Cc1cc(C(=O)CN2CCC[C@@H]2CO)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832858086	601594894	/nfs/dbraw/zinc/59/48/94/601594894.db2.gz	GYFXYDOADWBGSH-QGZVFWFLSA-N	-1	0	356.422	2.432	20	10		FECDRM
O=C([O-])N1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740446117	602015849	/nfs/dbraw/zinc/01/58/49/602015849.db2.gz	CAYGZPWJQFCWHF-MRXNPFEDSA-N	-1	0	360.458	2.476	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CCC(N(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000738035645	602529037	/nfs/dbraw/zinc/52/90/37/602529037.db2.gz	GEYAZVRKLMQCFQ-XQRVVYSFSA-N	-1	0	363.370	2.360	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2Cc1cc(=O)n2ccccc2n1	ZINC000740674167	602649173	/nfs/dbraw/zinc/64/91/73/602649173.db2.gz	LYUAVZOSLOALPF-UHFFFAOYSA-N	-1	0	364.405	2.415	20	10		FECDRM
CN(C)c1ccc(CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1F	ZINC000739619269	602709788	/nfs/dbraw/zinc/70/97/88/602709788.db2.gz	UXICSKDBBFQESR-LBPRGKRZSA-N	-1	0	352.410	2.081	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739138444	602822746	/nfs/dbraw/zinc/82/27/46/602822746.db2.gz	JGZCYVPECDOMMO-WMLDXEAASA-N	-1	0	360.458	2.474	20	10		FECDRM
CCS(=O)(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000809736145	674507759	/nfs/dbraw/zinc/50/77/59/674507759.db2.gz	GVIFYPFLTIYPGL-UHFFFAOYSA-N	-1	0	350.843	2.088	20	10		FECDRM
CN(C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1)C(=O)[O-]	ZINC000739647698	602944320	/nfs/dbraw/zinc/94/43/20/602944320.db2.gz	AEEATHIFADTTQE-INIZCTEOSA-N	-1	0	358.442	2.204	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)c1	ZINC000739926119	602979170	/nfs/dbraw/zinc/97/91/70/602979170.db2.gz	ZKHFCQUFGZHMJB-NEPJUHHUSA-N	-1	0	351.403	2.294	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cn3ccccc3n2)NC(=O)[O-])cc1	ZINC000828063592	603025844	/nfs/dbraw/zinc/02/58/44/603025844.db2.gz	HKEUYTKOMYCKJQ-HNNXBMFYSA-N	-1	0	367.409	2.139	20	10		FECDRM
CN(CCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000737419265	603026973	/nfs/dbraw/zinc/02/69/73/603026973.db2.gz	VOBPNTACJQVQHO-OAHLLOKOSA-N	-1	0	350.415	2.290	20	10		FECDRM
Cc1cc(C)n([C@H](C)C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830016282	603033471	/nfs/dbraw/zinc/03/34/71/603033471.db2.gz	DLXMZHPIOPHYRC-RHSMWYFYSA-N	-1	0	373.457	2.252	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CNC(=O)[O-])CC(C)C)c1	ZINC000829484607	603661808	/nfs/dbraw/zinc/66/18/08/603661808.db2.gz	VGSKUAPJGMVMPL-NEPJUHHUSA-N	-1	0	353.419	2.443	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)[C@@]3(C)CCN(C(=O)[O-])C3)CC2)cc1	ZINC000829423155	603892226	/nfs/dbraw/zinc/89/22/26/603892226.db2.gz	BWLCRJPZTHZNNM-IBGZPJMESA-N	-1	0	361.442	2.124	20	10		FECDRM
CN(C[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000828205943	604079758	/nfs/dbraw/zinc/07/97/58/604079758.db2.gz	JUVBMUDODWWEOW-MRXNPFEDSA-N	-1	0	360.458	2.353	20	10		FECDRM
COc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1O	ZINC000829560130	604204131	/nfs/dbraw/zinc/20/41/31/604204131.db2.gz	OVUPDUMYIYFQHN-WCQYABFASA-N	-1	0	351.403	2.026	20	10		FECDRM
Cc1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c(C)n1-c1ccccn1	ZINC000832860007	604438267	/nfs/dbraw/zinc/43/82/67/604438267.db2.gz	TZDCMTNBRFSYFG-MRXNPFEDSA-N	-1	0	359.426	2.439	20	10		FECDRM
COc1cc(OC)cc([C@H](OC(=O)c2ccc(C)c(O)c2O)C(=O)[O-])c1	ZINC000832080828	604576608	/nfs/dbraw/zinc/57/66/08/604576608.db2.gz	RNUBEACSGLQLMI-INIZCTEOSA-N	-1	0	362.334	2.406	20	10		FECDRM
COc1cccc(CNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1O	ZINC000829559595	605291518	/nfs/dbraw/zinc/29/15/18/605291518.db2.gz	LSZNSGGMFTVCRJ-GFCCVEGCSA-N	-1	0	350.415	2.433	20	10		FECDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC[C@H]1CCS(=O)(=O)C1	ZINC000834247858	605596429	/nfs/dbraw/zinc/59/64/29/605596429.db2.gz	SSHVRFKFRNIPOS-ZDUSSCGKSA-N	-1	0	352.456	2.032	20	10		FECDRM
COc1ccc(O)c(CNC(=O)[C@H](NC(=O)[O-])c2ccccc2OC)c1	ZINC000829484281	605876382	/nfs/dbraw/zinc/87/63/82/605876382.db2.gz	RDFQCSUUCASHGB-MRXNPFEDSA-N	-1	0	360.366	2.035	20	10		FECDRM
COc1c(O)cccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000810199982	674536800	/nfs/dbraw/zinc/53/68/00/674536800.db2.gz	RXWJTBAVVVMPSJ-DHZHZOJOSA-N	-1	0	353.421	2.467	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	ZINC000003155621	669943587	/nfs/dbraw/zinc/94/35/87/669943587.db2.gz	BSZLOMZFCOIGIW-WTKPLQERSA-N	-1	0	374.237	2.441	20	10		FECDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)cc1	ZINC000057680224	670370401	/nfs/dbraw/zinc/37/04/01/670370401.db2.gz	CGGZTFHGDCNIFN-UHFFFAOYSA-N	-1	0	374.447	2.366	20	10		FECDRM
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(O)cc(Br)c2O)N1	ZINC000124701458	672001025	/nfs/dbraw/zinc/00/10/25/672001025.db2.gz	SEUTUJBMEVLJHO-ZDUSSCGKSA-N	-1	0	374.198	2.306	20	10		FECDRM
Cc1cc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n2ncnc2n1	ZINC000133920989	672116991	/nfs/dbraw/zinc/11/69/91/672116991.db2.gz	XRVDACGNSXAXBL-UHFFFAOYSA-N	-1	0	358.833	2.114	20	10		FECDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000194822323	672769124	/nfs/dbraw/zinc/76/91/24/672769124.db2.gz	NBWOHHZUZXZQKT-UHFFFAOYSA-N	-1	0	352.387	2.068	20	10		FECDRM
N#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1Cl	ZINC000321848605	673040810	/nfs/dbraw/zinc/04/08/10/673040810.db2.gz	JMJMJBIVEQFKSZ-UHFFFAOYSA-N	-1	0	352.755	2.416	20	10		FECDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000326523538	673053766	/nfs/dbraw/zinc/05/37/66/673053766.db2.gz	VATWHCAFDUTPOS-UHFFFAOYSA-N	-1	0	365.363	2.053	20	10		FECDRM
CS(=O)(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000715766020	673073604	/nfs/dbraw/zinc/07/36/04/673073604.db2.gz	LXPJJJQABVYNLN-NSHDSACASA-N	-1	0	366.252	2.303	20	10		FECDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000743259702	673754120	/nfs/dbraw/zinc/75/41/20/673754120.db2.gz	KZRWMULVMHGNIP-UHFFFAOYSA-N	-1	0	355.343	2.104	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1[O-]	ZINC000825202893	675641479	/nfs/dbraw/zinc/64/14/79/675641479.db2.gz	WKNKBZWRDCSZRN-YPMHNXCESA-N	-1	0	360.819	2.105	20	10		FECDRM
COC[C@@]1(C(=O)OC)CCCN1Cc1cccc(Br)c1[O-]	ZINC000827487983	675759915	/nfs/dbraw/zinc/75/99/15/675759915.db2.gz	BCYZOTBZUUMRSA-OAHLLOKOSA-N	-1	0	358.232	2.309	20	10		FECDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1sccc1-n1c(C)ccc1C	ZINC000764195877	680802475	/nfs/dbraw/zinc/80/24/75/680802475.db2.gz	UQUICIXKNVRULP-LBPRGKRZSA-N	-1	0	356.469	2.250	20	10		FECDRM
CCn1ncc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840732105	680839754	/nfs/dbraw/zinc/83/97/54/680839754.db2.gz	TWKBKVKYPJYVMW-FLIBITNWSA-N	-1	0	354.457	2.144	20	10		FECDRM
COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])cc1F	ZINC000756359641	680474636	/nfs/dbraw/zinc/47/46/36/680474636.db2.gz	CZROMJQTPLALRS-HNNXBMFYSA-N	-1	0	350.302	2.364	20	10		FECDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)o1	ZINC000773233074	681132414	/nfs/dbraw/zinc/13/24/14/681132414.db2.gz	VYLSSEQUOSEUNH-UHFFFAOYSA-N	-1	0	364.832	2.414	20	10		FECDRM
O=C(NCC[C@@]1(O)CCCOC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000845719379	681148168	/nfs/dbraw/zinc/14/81/68/681148168.db2.gz	AAPKLYGQOKRELG-HNNXBMFYSA-N	-1	0	363.241	2.430	20	10		FECDRM
Cn1nccc1[C@@H]1COCCN1Cc1cccc(Br)c1[O-]	ZINC000846116905	681184669	/nfs/dbraw/zinc/18/46/69/681184669.db2.gz	YEPGVYGHSUARRG-AWEZNQCLSA-N	-1	0	352.232	2.462	20	10		FECDRM
COC(=O)c1cccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000775289551	681293075	/nfs/dbraw/zinc/29/30/75/681293075.db2.gz	WAUJPKYLVJIGBJ-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
O=C(Nc1nnc(C2=S=CC=C2)[n-]1)c1cc(-c2cccc(F)c2)no1	ZINC000915645868	685517076	/nfs/dbraw/zinc/51/70/76/685517076.db2.gz	MWGUVAYQIXTSAH-UHFFFAOYSA-N	-1	0	355.354	2.477	20	10		FECDRM
Cc1cc(CC(=O)[N-]S(=O)(=O)CC(F)F)c(C)n1-c1ccccc1	ZINC000853133405	682381274	/nfs/dbraw/zinc/38/12/74/682381274.db2.gz	KYIUTPUREIVERA-UHFFFAOYSA-N	-1	0	356.394	2.348	20	10		FECDRM
CCOC(=O)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1	ZINC000789580120	682619166	/nfs/dbraw/zinc/61/91/66/682619166.db2.gz	LHVDLSHRWFVAFN-QMTHXVAHSA-N	-1	0	372.805	2.402	20	10		FECDRM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(F)c1	ZINC000790392916	682673330	/nfs/dbraw/zinc/67/33/30/682673330.db2.gz	ZOUHYEIDYBSSJV-UHFFFAOYSA-N	-1	0	366.414	2.472	20	10		FECDRM
C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)cc(F)c1[O-]	ZINC000790758008	682699549	/nfs/dbraw/zinc/69/95/49/682699549.db2.gz	NEAVSJDUFZKQBV-LLVKDONJSA-N	-1	0	371.405	2.287	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2	ZINC000794872797	683000910	/nfs/dbraw/zinc/00/09/10/683000910.db2.gz	NGLSDAQFQAXHRX-UHFFFAOYSA-N	-1	0	365.363	2.017	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1O	ZINC000797819332	683275776	/nfs/dbraw/zinc/27/57/76/683275776.db2.gz	GHNIJWLFRYSSFN-UHFFFAOYSA-N	-1	0	359.407	2.446	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)c(C)n1-c1cccc(C)c1	ZINC000919671041	683290871	/nfs/dbraw/zinc/29/08/71/683290871.db2.gz	QLOXIXWHUSBKNV-UHFFFAOYSA-N	-1	0	361.467	2.473	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)Cc2ccsc2)cc1	ZINC000872909463	685032667	/nfs/dbraw/zinc/03/26/67/685032667.db2.gz	BBWYNXPBEIAFJF-CYBMUJFWSA-N	-1	0	362.451	2.395	20	10		FECDRM
Cc1cnn(CCC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1	ZINC000911355203	685201958	/nfs/dbraw/zinc/20/19/58/685201958.db2.gz	UAZRMXOUOKKDCY-UHFFFAOYSA-N	-1	0	351.790	2.054	20	10		FECDRM
O=c1[n-]c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n[nH]1	ZINC000091579936	542813276	/nfs/dbraw/zinc/81/32/76/542813276.db2.gz	BDPZZAYNGYQUJV-ZDUSSCGKSA-N	-1	0	357.439	2.433	20	10		FECDRM
CC1(C)CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000805134736	674321797	/nfs/dbraw/zinc/32/17/97/674321797.db2.gz	HOBPFSNCCHAZLX-UHFFFAOYSA-N	-1	0	369.270	2.144	20	10		FECDRM
COc1ccc(-n2c(C)cc(C(=O)N3CCC(O)(C(=O)[O-])CC3)c2C)cc1	ZINC000262516543	549825884	/nfs/dbraw/zinc/82/58/84/549825884.db2.gz	PUPVXNQZEBAPGM-UHFFFAOYSA-N	-1	0	372.421	2.154	20	10		FECDRM
COc1cc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(OC)c1	ZINC000275050684	550570361	/nfs/dbraw/zinc/57/03/61/550570361.db2.gz	YIDYACGVWFBWCA-UHFFFAOYSA-N	-1	0	367.379	2.242	20	10		FECDRM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc([O-])c1[N+](=O)[O-]	ZINC000280804398	551034217	/nfs/dbraw/zinc/03/42/17/551034217.db2.gz	PWQVKINWWBBHNT-UHFFFAOYSA-N	-1	0	357.366	2.067	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2C[C@@H](C(N)=O)CC[C@H]2C(F)(F)F)c1O	ZINC000361816096	554936497	/nfs/dbraw/zinc/93/64/97/554936497.db2.gz	RRCDRTNHHSXNRF-ZANVPECISA-N	-1	0	362.323	2.362	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)cc1	ZINC000364397561	555306001	/nfs/dbraw/zinc/30/60/01/555306001.db2.gz	MNUQQWBOTDALDC-UHFFFAOYSA-N	-1	0	372.381	2.057	20	10		FECDRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)[C@H](C(F)F)C1	ZINC000366474137	555853901	/nfs/dbraw/zinc/85/39/01/555853901.db2.gz	OBFOSLCMJCVYJH-NSHDSACASA-N	-1	0	372.368	2.424	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C[C@@H]1OCCc2ccccc21	ZINC000366741982	555923007	/nfs/dbraw/zinc/92/30/07/555923007.db2.gz	VSYSCIRFJNAWDP-ZFWWWQNUSA-N	-1	0	351.424	2.218	20	10		FECDRM
O=C([O-])c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000817860464	598173199	/nfs/dbraw/zinc/17/31/99/598173199.db2.gz	MYJMINVHOWOTHK-UHFFFAOYSA-N	-1	0	367.405	2.240	20	10		FECDRM
C[C@@H]1CN(c2ccc(CNC(=O)CCCNC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000736824449	599724034	/nfs/dbraw/zinc/72/40/34/599724034.db2.gz	JLVXQFIKLZFLOL-BETUJISGSA-N	-1	0	367.421	2.103	20	10		FECDRM
Cc1cc(C(=O)COC(=O)C(C)(C)O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738317889	599745983	/nfs/dbraw/zinc/74/59/83/599745983.db2.gz	ACWUFWUJHFLSKH-UHFFFAOYSA-N	-1	0	359.378	2.289	20	10		FECDRM
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1C(=O)[O-]	ZINC000738406133	600046080	/nfs/dbraw/zinc/04/60/80/600046080.db2.gz	LTJRXTOLJYQSFV-UHFFFAOYSA-N	-1	0	369.421	2.356	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000738402335	600326903	/nfs/dbraw/zinc/32/69/03/600326903.db2.gz	OXGINAKNHDBRIR-UHFFFAOYSA-N	-1	0	373.384	2.153	20	10		FECDRM
O=C([O-])c1c(NC(=O)COC(=O)C2=CC(=O)CS2)sc2c1CCC2	ZINC000738470863	600368376	/nfs/dbraw/zinc/36/83/76/600368376.db2.gz	NJHXZXWHQZMEML-UHFFFAOYSA-N	-1	0	367.404	2.498	20	10		FECDRM
Cc1cc(C(=O)Cn2nc(C(=O)[O-])ccc2=O)c(C)n1-c1ccc(F)cc1	ZINC000738320271	600519940	/nfs/dbraw/zinc/51/99/40/600519940.db2.gz	PZMRJLFQSOLJQA-UHFFFAOYSA-N	-1	0	369.352	2.371	20	10		FECDRM
Cc1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c(C)n1-c1ccc(F)cc1	ZINC000738338766	600535332	/nfs/dbraw/zinc/53/53/32/600535332.db2.gz	KBXLQJMFODBETB-UHFFFAOYSA-N	-1	0	357.345	2.231	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000738401566	600639506	/nfs/dbraw/zinc/63/95/06/600639506.db2.gz	FWOWRPRMHPUQEI-UHFFFAOYSA-N	-1	0	354.453	2.299	20	10		FECDRM
Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000832859778	601223663	/nfs/dbraw/zinc/22/36/63/601223663.db2.gz	RQYZDYGPKYGWQP-HNNXBMFYSA-N	-1	0	363.435	2.061	20	10		FECDRM
CO[C@H](C)c1noc(CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000831505408	601434581	/nfs/dbraw/zinc/43/45/81/601434581.db2.gz	PNFLUCIAARMSNC-BREXMAIKSA-N	-1	0	362.342	2.419	20	10		FECDRM
CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	ZINC000739730255	602148861	/nfs/dbraw/zinc/14/88/61/602148861.db2.gz	JEQVOGDIFKRWEO-INIZCTEOSA-N	-1	0	360.458	2.353	20	10		FECDRM
O=C([O-])N1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	ZINC000738641973	602435728	/nfs/dbraw/zinc/43/57/28/602435728.db2.gz	UUIZUYXDSMNIKC-INIZCTEOSA-N	-1	0	362.426	2.290	20	10		FECDRM
CCS(=O)(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1	ZINC000809725436	674507363	/nfs/dbraw/zinc/50/73/63/674507363.db2.gz	SEFXGXGSGQRAPV-SNVBAGLBSA-N	-1	0	350.843	2.041	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739438668	602866789	/nfs/dbraw/zinc/86/67/89/602866789.db2.gz	CFHRWNLLNAPHEC-QGZVFWFLSA-N	-1	0	363.458	2.260	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)NC(=O)[O-])cc1	ZINC000828063166	603030804	/nfs/dbraw/zinc/03/08/04/603030804.db2.gz	BBOALNHYMBOGDK-MRXNPFEDSA-N	-1	0	373.457	2.443	20	10		FECDRM
COc1cccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1	ZINC000829537205	603031538	/nfs/dbraw/zinc/03/15/38/603031538.db2.gz	HTFLDHMAYXUBKX-KRWDZBQOSA-N	-1	0	357.410	2.500	20	10		FECDRM
C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)NC(=O)[O-]	ZINC000824624419	603070428	/nfs/dbraw/zinc/07/04/28/603070428.db2.gz	ZYONTWSYRGFXBB-RYUDHWBXSA-N	-1	0	371.384	2.419	20	10		FECDRM
O=C([O-])NCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000832599093	603071859	/nfs/dbraw/zinc/07/18/59/603071859.db2.gz	AYXOYCDDQRIKMU-LLVKDONJSA-N	-1	0	357.357	2.031	20	10		FECDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000739199282	603117371	/nfs/dbraw/zinc/11/73/71/603117371.db2.gz	GGAWRZBJBSNTFY-BBRMVZONSA-N	-1	0	361.442	2.406	20	10		FECDRM
C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825109205	603415706	/nfs/dbraw/zinc/41/57/06/603415706.db2.gz	SNWPLIQPGRSIAL-WMLDXEAASA-N	-1	0	361.442	2.233	20	10		FECDRM
O=C([O-])N1CCC[C@@H]1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000831319303	603585590	/nfs/dbraw/zinc/58/55/90/603585590.db2.gz	IRFVGEDEORNVHZ-CVEARBPZSA-N	-1	0	362.426	2.432	20	10		FECDRM
O=C([O-])N(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC1CC1	ZINC000831815570	603585845	/nfs/dbraw/zinc/58/58/45/603585845.db2.gz	NIIRXXUBNQPUMG-INIZCTEOSA-N	-1	0	362.426	2.290	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(NC=O)cc2)NC(=O)[O-])cc1	ZINC000828064315	603854075	/nfs/dbraw/zinc/85/40/75/603854075.db2.gz	OECOFESBLPCKRS-QGZVFWFLSA-N	-1	0	370.409	2.060	20	10		FECDRM
Cc1cc(C(=O)Cn2nnnc2CNC(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000830460162	604031325	/nfs/dbraw/zinc/03/13/25/604031325.db2.gz	PEWMOGKPCXBSCW-UHFFFAOYSA-N	-1	0	368.397	2.040	20	10		FECDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000825228788	604134661	/nfs/dbraw/zinc/13/46/61/604134661.db2.gz	MTEHWBVWDAENCC-OCCSQVGLSA-N	-1	0	366.437	2.469	20	10		FECDRM
CN(C)c1ccc(CN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)C2CC2)cc1	ZINC000828067105	604693625	/nfs/dbraw/zinc/69/36/25/604693625.db2.gz	FIFPVVWJSJIKPV-KRWDZBQOSA-N	-1	0	361.442	2.013	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1	ZINC000833733441	605033716	/nfs/dbraw/zinc/03/37/16/605033716.db2.gz	ILIMNBGZZZCPIC-NSHDSACASA-N	-1	0	365.407	2.280	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1	ZINC000833733836	605034008	/nfs/dbraw/zinc/03/40/08/605034008.db2.gz	SDVSLUNQAVRTIQ-VIFPVBQESA-N	-1	0	369.370	2.278	20	10		FECDRM
O=C([O-])N1CCC[C@H]1CCC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000833996835	605425741	/nfs/dbraw/zinc/42/57/41/605425741.db2.gz	YBYZGAFIXWHOPT-KRWDZBQOSA-N	-1	0	361.442	2.062	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000830072472	605653858	/nfs/dbraw/zinc/65/38/58/605653858.db2.gz	FTOFQLMMUKRHHL-OAHLLOKOSA-N	-1	0	351.472	2.163	20	10		FECDRM
O=C(C[C@H]1CSCCN1C(=O)[O-])NCc1ccc(N2CCCC2)cc1	ZINC000831414572	605807178	/nfs/dbraw/zinc/80/71/78/605807178.db2.gz	QDUBEUWYUJDPET-INIZCTEOSA-N	-1	0	363.483	2.389	20	10		FECDRM
C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816519366	675062169	/nfs/dbraw/zinc/06/21/69/675062169.db2.gz	HPQRLSPADSVIDH-CYBMUJFWSA-N	-1	0	369.868	2.313	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2)SC1=S	ZINC000013033217	670004964	/nfs/dbraw/zinc/00/49/64/670004964.db2.gz	VGMWAVAEAKNKGF-AWNIVKPZSA-N	-1	0	359.432	2.217	20	10		FECDRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000324644575	673046824	/nfs/dbraw/zinc/04/68/24/673046824.db2.gz	YEBVXJJGQJPHOK-UHFFFAOYSA-N	-1	0	352.324	2.108	20	10		FECDRM
COc1ccc(F)cc1-c1csc([N-]S(=O)(=O)c2ccnn2C)n1	ZINC000727251566	673162896	/nfs/dbraw/zinc/16/28/96/673162896.db2.gz	XMERIFFVZFDIFO-UHFFFAOYSA-N	-1	0	368.415	2.492	20	10		FECDRM
CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)SC1=S	ZINC000731564082	673334469	/nfs/dbraw/zinc/33/44/69/673334469.db2.gz	ZWOMFIJRAYAGBD-IZZDOVSWSA-N	-1	0	368.392	2.279	20	10		FECDRM
O=C(NCCCSc1nccs1)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000736682063	673536502	/nfs/dbraw/zinc/53/65/02/673536502.db2.gz	JYGJDWMWNKINLO-UHFFFAOYSA-N	-1	0	362.436	2.399	20	10		FECDRM
COCc1cccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1	ZINC000743046834	673747796	/nfs/dbraw/zinc/74/77/96/673747796.db2.gz	MXJZNIOEXNUEKA-UHFFFAOYSA-N	-1	0	364.452	2.491	20	10		FECDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c(C)n1-c1ccccn1	ZINC000744265549	673789936	/nfs/dbraw/zinc/78/99/36/673789936.db2.gz	OFGCYCNSSFJUAH-UHFFFAOYSA-N	-1	0	361.345	2.111	20	10		FECDRM
CN(CC(=O)NCc1ccco1)Cc1ccc(Br)cc1O	ZINC000824528788	675608752	/nfs/dbraw/zinc/60/87/52/675608752.db2.gz	CIQSHCILNXSINA-UHFFFAOYSA-N	-1	0	353.216	2.496	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1[O-]	ZINC000824976603	675631712	/nfs/dbraw/zinc/63/17/12/675631712.db2.gz	CKCULLYMCYLMCW-OAHLLOKOSA-N	-1	0	374.846	2.355	20	10		FECDRM
Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)c(C(N)=O)cc1F	ZINC000605654816	675822649	/nfs/dbraw/zinc/82/26/49/675822649.db2.gz	OODCHMBTFIPZJA-UHFFFAOYSA-N	-1	0	366.399	2.039	20	10		FECDRM
C[C@@](O)(C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1)C(F)(F)F	ZINC000828647752	675835495	/nfs/dbraw/zinc/83/54/95/675835495.db2.gz	IVYVUVHXHOLENJ-CQSZACIVSA-N	-1	0	351.296	2.402	20	10		FECDRM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000761241507	680716549	/nfs/dbraw/zinc/71/65/49/680716549.db2.gz	DXQFXSIGRFSRPF-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
COc1cc(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)ncn1	ZINC000764676201	680818408	/nfs/dbraw/zinc/81/84/08/680818408.db2.gz	GNIOPYAHJXKRPF-UHFFFAOYSA-N	-1	0	352.797	2.306	20	10		FECDRM
CCOCCO[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844214753	681045208	/nfs/dbraw/zinc/04/52/08/681045208.db2.gz	KBHDGFVAKPNMPG-SDQPKGBYSA-N	-1	0	350.371	2.324	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCS(=O)(=O)C1	ZINC000846158915	681191623	/nfs/dbraw/zinc/19/16/23/681191623.db2.gz	ALEZOAKNYSOOKP-QMMMGPOBSA-N	-1	0	352.239	2.140	20	10		FECDRM
COCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)cc1	ZINC000775286408	681292584	/nfs/dbraw/zinc/29/25/84/681292584.db2.gz	HWSNAXOKCROKQE-UHFFFAOYSA-N	-1	0	351.380	2.126	20	10		FECDRM
CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775289561	681293545	/nfs/dbraw/zinc/29/35/45/681293545.db2.gz	WCXNKSLRNDMFCZ-UHFFFAOYSA-N	-1	0	366.351	2.278	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000776434724	681391770	/nfs/dbraw/zinc/39/17/70/681391770.db2.gz	LLZIUHQILADLGL-UHFFFAOYSA-N	-1	0	370.314	2.247	20	10		FECDRM
Cn1nnc2c1CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C2	ZINC000848669637	681597149	/nfs/dbraw/zinc/59/71/49/681597149.db2.gz	HGLQBHKCYYLWEF-SNVBAGLBSA-N	-1	0	370.240	2.184	20	10		FECDRM
CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2C1	ZINC000849303951	681681644	/nfs/dbraw/zinc/68/16/44/681681644.db2.gz	AQOYKHPDHNGMLU-UHFFFAOYSA-N	-1	0	352.437	2.159	20	10		FECDRM
COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccccc3[O-])C2)cc1	ZINC000849402320	681715202	/nfs/dbraw/zinc/71/52/02/681715202.db2.gz	YRHCKYQXPJEBAF-AWEZNQCLSA-N	-1	0	362.451	2.206	20	10		FECDRM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000779476029	681719181	/nfs/dbraw/zinc/71/91/81/681719181.db2.gz	STXLFDAYGMNJQH-HYXAFXHYSA-N	-1	0	357.391	2.480	20	10		FECDRM
O=C([O-])C1(CNC(=O)NCc2cc(Br)ccc2O)CCC1	ZINC000851654331	682101883	/nfs/dbraw/zinc/10/18/83/682101883.db2.gz	YNLVCFSKNQCJGO-UHFFFAOYSA-N	-1	0	357.204	2.209	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1	ZINC000788749665	682555643	/nfs/dbraw/zinc/55/56/43/682555643.db2.gz	ZITBDSCSNPACEZ-UHFFFAOYSA-N	-1	0	361.375	2.354	20	10		FECDRM
O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000789768320	682630039	/nfs/dbraw/zinc/63/00/39/682630039.db2.gz	HCVFBCFHIMMLNR-CYBMUJFWSA-N	-1	0	362.854	2.185	20	10		FECDRM
CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)no1	ZINC000795333693	683040986	/nfs/dbraw/zinc/04/09/86/683040986.db2.gz	PIBMDPUBUGDQHQ-UHFFFAOYSA-N	-1	0	354.384	2.318	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1C[C@@H]2COC[C@@H]2O1	ZINC000926668727	683160876	/nfs/dbraw/zinc/16/08/76/683160876.db2.gz	KNWMFBMZTOVBJB-XWIASGKRSA-N	-1	0	361.225	2.302	20	10		FECDRM
COC(=O)c1occc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000798177224	683318039	/nfs/dbraw/zinc/31/80/39/683318039.db2.gz	GMSZNWIBBFQHDL-CLFYSBASSA-N	-1	0	355.393	2.132	20	10		FECDRM
CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Cl)ccc1O	ZINC000872501970	684967027	/nfs/dbraw/zinc/96/70/27/684967027.db2.gz	NYYRDQFRAOPYDW-HXUWFJFHSA-N	-1	0	354.881	2.276	20	10		FECDRM
CS(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])Cc2ccccc21	ZINC000876818402	686276563	/nfs/dbraw/zinc/27/65/63/686276563.db2.gz	UJXHWNGZTMJWDS-UHFFFAOYSA-N	-1	0	368.405	2.452	20	10		FECDRM
COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cccc(Br)c1[O-]	ZINC000895863764	689784248	/nfs/dbraw/zinc/78/42/48/689784248.db2.gz	NJYCIKAXMUKKKW-DGCLKSJQSA-N	-1	0	358.232	2.355	20	10		FECDRM
Cn1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(C2CC2)n1	ZINC000899341718	690339151	/nfs/dbraw/zinc/33/91/51/690339151.db2.gz	HWSSJGFWMFBYFP-XFFZJAGNSA-N	-1	0	351.453	2.364	20	10		FECDRM
O=C([O-])[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1	ZINC000852950474	939240210	/nfs/dbraw/zinc/24/02/10/939240210.db2.gz	HVJDSTRRQPFUJU-OAHLLOKOSA-N	-1	0	368.380	2.484	20	10		FECDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019107764	539651696	/nfs/dbraw/zinc/65/16/96/539651696.db2.gz	RWWKZLPBYNZEON-UHFFFAOYSA-N	-1	0	366.380	2.409	20	10		FECDRM
Cn1cc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)s2)cn1	ZINC000800791716	674076964	/nfs/dbraw/zinc/07/69/64/674076964.db2.gz	UMWOVMSIRATERD-WCIBSUBMSA-N	-1	0	365.461	2.434	20	10		FECDRM
NC(=O)NC(=O)c1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000801735312	674146549	/nfs/dbraw/zinc/14/65/49/674146549.db2.gz	SBWSMWCDILULEF-UHFFFAOYSA-N	-1	0	364.745	2.374	20	10		FECDRM
COCCn1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cn1	ZINC000269608501	550210416	/nfs/dbraw/zinc/21/04/16/550210416.db2.gz	JLUQFHSCKAUWST-UHFFFAOYSA-N	-1	0	353.444	2.468	20	10		FECDRM
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000277568022	550685547	/nfs/dbraw/zinc/68/55/47/550685547.db2.gz	DUBVQKZVNPRXNA-GFCCVEGCSA-N	-1	0	367.427	2.138	20	10		FECDRM
CS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000293958969	552870784	/nfs/dbraw/zinc/87/07/84/552870784.db2.gz	PSGWXXIWLOURRK-JTQLQIEISA-N	-1	0	362.835	2.210	20	10		FECDRM
COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4n[n-]c(=O)o4)C3)cc2)CC1	ZINC000295407716	553001563	/nfs/dbraw/zinc/00/15/63/553001563.db2.gz	SJTKYKBCNMDUDT-INIZCTEOSA-N	-1	0	372.469	2.358	20	10		FECDRM
CC(=O)c1cc(F)cc(CN2C[C@H](C(N)=O)CC[C@H]2C(F)(F)F)c1O	ZINC000361816093	554936479	/nfs/dbraw/zinc/93/64/79/554936479.db2.gz	RRCDRTNHHSXNRF-RNCFNFMXSA-N	-1	0	362.323	2.362	20	10		FECDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C[C@H]1OCCc2ccsc21	ZINC000372886406	557582672	/nfs/dbraw/zinc/58/26/72/557582672.db2.gz	XNRJWRVQHFSBBT-CMPLNLGQSA-N	-1	0	357.453	2.280	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-]	ZINC000377169252	558280773	/nfs/dbraw/zinc/28/07/73/558280773.db2.gz	VRUBVWFQYYYCAC-ZDUSSCGKSA-N	-1	0	366.805	2.310	20	10		FECDRM
C[C@H](CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-]	ZINC000827533549	601272982	/nfs/dbraw/zinc/27/29/82/601272982.db2.gz	QJYFRUPVSCPCPK-CQSZACIVSA-N	-1	0	354.472	2.159	20	10		FECDRM
COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC2)cc1F	ZINC000832383551	601519537	/nfs/dbraw/zinc/51/95/37/601519537.db2.gz	KUECVHRGCMMTMF-HNNXBMFYSA-N	-1	0	367.421	2.165	20	10		FECDRM
COc1ccc(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)cc1F	ZINC000818593826	601555532	/nfs/dbraw/zinc/55/55/32/601555532.db2.gz	RUFIWMRJTIARTL-UHFFFAOYSA-N	-1	0	367.421	2.311	20	10		FECDRM
NC(=O)c1ccc(N2C(=O)/C(=C\c3c[nH]c(C(=O)[O-])c3)SC2=S)cc1	ZINC000833085152	601788825	/nfs/dbraw/zinc/78/88/25/601788825.db2.gz	HFPNDLPDHASOEU-WUXMJOGZSA-N	-1	0	373.415	2.218	20	10		FECDRM
COc1ccc(N2CCC(NC(=O)C3(NC(=O)[O-])CCCC3)CC2)cc1	ZINC000739908072	601965157	/nfs/dbraw/zinc/96/51/57/601965157.db2.gz	FNNUAGWBFUIMOL-UHFFFAOYSA-N	-1	0	361.442	2.361	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739925337	602419832	/nfs/dbraw/zinc/41/98/32/602419832.db2.gz	LZPRIJMWXWIPSC-NEPJUHHUSA-N	-1	0	351.403	2.151	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000739710065	602821249	/nfs/dbraw/zinc/82/12/49/602821249.db2.gz	PBIBMOABRPPCIU-UHFFFAOYSA-N	-1	0	363.458	2.308	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c[nH]nc32)NC(=O)[O-])cc1	ZINC000828064714	603029627	/nfs/dbraw/zinc/02/96/27/603029627.db2.gz	WRIIDNMZMKJYQC-MRXNPFEDSA-N	-1	0	367.409	2.368	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CN(C)c2ccccc2)NC(=O)[O-])cc1	ZINC000828063400	603032207	/nfs/dbraw/zinc/03/22/07/603032207.db2.gz	FNVMMPHLWOTCCH-GOSISDBHSA-N	-1	0	370.453	2.314	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)c1	ZINC000739925583	603127527	/nfs/dbraw/zinc/12/75/27/603127527.db2.gz	QAMXOQDPURVGJY-LBPRGKRZSA-N	-1	0	370.405	2.383	20	10		FECDRM
COC(=O)/C=C/c1ccc(N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000739766006	603405497	/nfs/dbraw/zinc/40/54/97/603405497.db2.gz	XUAGZZJCGDWFBO-YJLKIPLNSA-N	-1	0	363.370	2.263	20	10		FECDRM
C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825109203	603415575	/nfs/dbraw/zinc/41/55/75/603415575.db2.gz	SNWPLIQPGRSIAL-PBHICJAKSA-N	-1	0	361.442	2.233	20	10		FECDRM
C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(N2CCOCC2)cc1	ZINC000825460142	603416468	/nfs/dbraw/zinc/41/64/68/603416468.db2.gz	YHONHAVLQSFXDT-ZDUSSCGKSA-N	-1	0	373.409	2.375	20	10		FECDRM
CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])ccc21	ZINC000828488827	603844190	/nfs/dbraw/zinc/84/41/90/603844190.db2.gz	QDOXBSPPMXWGTA-HOTGVXAUSA-N	-1	0	360.458	2.305	20	10		FECDRM
COc1ccc(N2CCN(C(=O)CC3(NC(=O)[O-])CCC3)CC2)cc1F	ZINC000829424079	603937076	/nfs/dbraw/zinc/93/70/76/603937076.db2.gz	LTUVSZMIGMNZSL-UHFFFAOYSA-N	-1	0	365.405	2.063	20	10		FECDRM
CC(C)c1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n(C)n1	ZINC000824458937	603949084	/nfs/dbraw/zinc/94/90/84/603949084.db2.gz	JEYUCDKVXYQTEU-MRXNPFEDSA-N	-1	0	373.457	2.348	20	10		FECDRM
COc1cccc(CNC(=O)NCc2ccc(CCNC(=O)[O-])cc2)c1O	ZINC000829559619	604102874	/nfs/dbraw/zinc/10/28/74/604102874.db2.gz	LUPJQXLUGGTPIS-UHFFFAOYSA-N	-1	0	373.409	2.210	20	10		FECDRM
C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1	ZINC000825403810	604120206	/nfs/dbraw/zinc/12/02/06/604120206.db2.gz	ZIMRATWIPDFFFO-GFCCVEGCSA-N	-1	0	371.393	2.318	20	10		FECDRM
C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1NC(=O)[O-]	ZINC000826000126	604337076	/nfs/dbraw/zinc/33/70/76/604337076.db2.gz	FTRJSBYTHAROBL-GHMZBOCLSA-N	-1	0	358.489	2.313	20	10		FECDRM
C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000827653870	604502683	/nfs/dbraw/zinc/50/26/83/604502683.db2.gz	SSFHMEGJJAQWTH-WMLDXEAASA-N	-1	0	361.442	2.233	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833695575	604673396	/nfs/dbraw/zinc/67/33/96/604673396.db2.gz	SDDIESPUAJJKOU-UHFFFAOYSA-N	-1	0	368.433	2.423	20	10		FECDRM
Cc1ccc(C)n1-c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1	ZINC000832925891	604704057	/nfs/dbraw/zinc/70/40/57/604704057.db2.gz	ZYEUTTCYVYHTMG-UHFFFAOYSA-N	-1	0	368.393	2.170	20	10		FECDRM
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](NC(=O)[O-])C3)cc2)CC1	ZINC000739106230	605099463	/nfs/dbraw/zinc/09/94/63/605099463.db2.gz	BEMRQXPCLOHBEF-INIZCTEOSA-N	-1	0	360.458	2.474	20	10		FECDRM
CC(C)(C)CC(=O)NCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833422149	605281803	/nfs/dbraw/zinc/28/18/03/605281803.db2.gz	BTPVHPKWQDNADC-UHFFFAOYSA-N	-1	0	370.833	2.011	20	10		FECDRM
Cn1nnc2cc(C(=O)N(CC(=O)[O-])Cc3cc(Cl)ccc3O)ccc21	ZINC000833759289	605282660	/nfs/dbraw/zinc/28/26/60/605282660.db2.gz	BGUQYSBTFBFBEJ-UHFFFAOYSA-N	-1	0	374.784	2.054	20	10		FECDRM
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1NC(=O)[O-]	ZINC000833846218	605370027	/nfs/dbraw/zinc/37/00/27/605370027.db2.gz	GIGZGCCMDYJALY-ZFWWWQNUSA-N	-1	0	366.437	2.469	20	10		FECDRM
CN(Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(OCC(=O)[O-])cc1	ZINC000833695103	605439501	/nfs/dbraw/zinc/43/95/01/605439501.db2.gz	ZPRVRRMWCOUZRV-UHFFFAOYSA-N	-1	0	373.796	2.448	20	10		FECDRM
O=C([O-])N[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)Cc1ccccc1	ZINC000834124408	605710891	/nfs/dbraw/zinc/71/08/91/605710891.db2.gz	GEVPQBXLNSBRNN-OAHLLOKOSA-N	-1	0	358.394	2.026	20	10		FECDRM
CCOc1ccc(C[C@H](CNC(=O)c2ccc(C)c(O)c2O)C(=O)[O-])cc1	ZINC000833664632	605754807	/nfs/dbraw/zinc/75/48/07/605754807.db2.gz	VHKLGVFHXOVDAX-CQSZACIVSA-N	-1	0	373.405	2.478	20	10		FECDRM
O=C([O-])N[C@H](CC(F)F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000834131328	606080645	/nfs/dbraw/zinc/08/06/45/606080645.db2.gz	UCKGMYDVOVVYPG-QWHCGFSZSA-N	-1	0	372.368	2.191	20	10		FECDRM
COc1ccnc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1	ZINC000816484419	675058618	/nfs/dbraw/zinc/05/86/18/675058618.db2.gz	BNLFQTHSCBKPHK-UHFFFAOYSA-N	-1	0	352.797	2.306	20	10		FECDRM
COc1cc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)ncn1	ZINC000816570309	675065693	/nfs/dbraw/zinc/06/56/93/675065693.db2.gz	PTKWWHYFHIKWPW-UHFFFAOYSA-N	-1	0	352.797	2.306	20	10		FECDRM
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000013464013	670006518	/nfs/dbraw/zinc/00/65/18/670006518.db2.gz	QGVWNUMTGHIFEK-UHFFFAOYSA-N	-1	0	365.363	2.068	20	10		FECDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000111980401	670863632	/nfs/dbraw/zinc/86/36/32/670863632.db2.gz	VFGDYUBAFQIEGD-UHFFFAOYSA-N	-1	0	364.467	2.499	20	10		FECDRM
Cn1c(=O)ccc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc21	ZINC000582645579	672021022	/nfs/dbraw/zinc/02/10/22/672021022.db2.gz	VNODJSABXQRBAU-UHFFFAOYSA-N	-1	0	372.431	2.344	20	10		FECDRM
Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc(C(=O)[O-])c1F	ZINC000184885631	672510124	/nfs/dbraw/zinc/51/01/24/672510124.db2.gz	WBOYLRRWVUWLPO-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000184968243	672514664	/nfs/dbraw/zinc/51/46/64/672514664.db2.gz	OCVSYNWYMGHYEC-UHFFFAOYSA-N	-1	0	366.414	2.377	20	10		FECDRM
COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000547702961	673882745	/nfs/dbraw/zinc/88/27/45/673882745.db2.gz	VUDSTAPJRAVKIY-UHFFFAOYSA-N	-1	0	367.383	2.418	20	10		FECDRM
COc1cccc(S([O-])=CC(=O)NCc2ccc(N(C)C)c(F)c2)c1	ZINC000819196538	675268619	/nfs/dbraw/zinc/26/86/19/675268619.db2.gz	SAARVPISSSTTMM-VWLOTQADSA-N	-1	0	364.442	2.324	20	10		FECDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1[O-]	ZINC000825202890	675641481	/nfs/dbraw/zinc/64/14/81/675641481.db2.gz	WKNKBZWRDCSZRN-WCQYABFASA-N	-1	0	360.819	2.105	20	10		FECDRM
NS(=O)(=O)c1cc2c(s1)CCN(Cc1cccc(Cl)c1[O-])C2	ZINC000827776616	675777670	/nfs/dbraw/zinc/77/76/70/675777670.db2.gz	YGCUNHCWBGHGMH-UHFFFAOYSA-N	-1	0	358.872	2.313	20	10		FECDRM
Cc1ccc(-n2[n-]nnc2=NCc2cccc(Br)c2O)cc1	ZINC000764935501	680824983	/nfs/dbraw/zinc/82/49/83/680824983.db2.gz	VPLFOXGSHVJIHW-UHFFFAOYSA-N	-1	0	360.215	2.473	20	10		FECDRM
COCCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(C)c1	ZINC000765051672	680829026	/nfs/dbraw/zinc/82/90/26/680829026.db2.gz	BHWKGIWCOWIJDL-UHFFFAOYSA-N	-1	0	363.395	2.357	20	10		FECDRM
COCC(COC)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000840954972	680856790	/nfs/dbraw/zinc/85/67/90/680856790.db2.gz	OEIBNMDCOJTQFM-UHFFFAOYSA-N	-1	0	363.285	2.478	20	10		FECDRM
COCCO[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844207522	681044652	/nfs/dbraw/zinc/04/46/52/681044652.db2.gz	MFMVLIJSHHEAMR-BRLPQQTGSA-N	-1	0	350.371	2.324	20	10		FECDRM
CCS(=O)(=O)C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844213453	681044882	/nfs/dbraw/zinc/04/48/82/681044882.db2.gz	YNEJGPWJLQVLBN-XQRVVYSFSA-N	-1	0	368.411	2.096	20	10		FECDRM
CCOCCO[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844214754	681045174	/nfs/dbraw/zinc/04/51/74/681045174.db2.gz	KBHDGFVAKPNMPG-YVZNUBBCSA-N	-1	0	350.371	2.324	20	10		FECDRM
CCC(CC)(C(=O)[O-])C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	ZINC000846708781	681277634	/nfs/dbraw/zinc/27/76/34/681277634.db2.gz	KVVKNHRJHIFIHD-UHFFFAOYSA-N	-1	0	352.406	2.374	20	10		FECDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000775286358	681292462	/nfs/dbraw/zinc/29/24/62/681292462.db2.gz	QKCPDYUITJIGSD-UHFFFAOYSA-N	-1	0	363.317	2.154	20	10		FECDRM
Cc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1F	ZINC000775287560	681292565	/nfs/dbraw/zinc/29/25/65/681292565.db2.gz	CCBOQXVBYAUHNW-UHFFFAOYSA-N	-1	0	371.302	2.457	20	10		FECDRM
COC(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000775289576	681293431	/nfs/dbraw/zinc/29/34/31/681293431.db2.gz	WUMWRSBMBGOCBR-UHFFFAOYSA-N	-1	0	366.351	2.196	20	10		FECDRM
O=C([C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-])N1CCOCC1	ZINC000775678641	681323597	/nfs/dbraw/zinc/32/35/97/681323597.db2.gz	HKJLKQJQLUUALE-OAHLLOKOSA-N	-1	0	356.825	2.398	20	10		FECDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1	ZINC000776750404	681433083	/nfs/dbraw/zinc/43/30/83/681433083.db2.gz	CRBMFNNLHQPOOM-UHFFFAOYSA-N	-1	0	359.791	2.055	20	10		FECDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1CC(=O)[O-]	ZINC000776750887	681433137	/nfs/dbraw/zinc/43/31/37/681433137.db2.gz	MQZJNCYFLBZONJ-UHFFFAOYSA-N	-1	0	371.798	2.482	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2cc(-n3ccnc3)cs2)SC1=S	ZINC000783685351	682166716	/nfs/dbraw/zinc/16/67/16/682166716.db2.gz	WXJNOKYHUMSSKS-ONNFQVAWSA-N	-1	0	351.434	2.220	20	10		FECDRM
CC[C@@H](NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)c1nccs1	ZINC000853006578	682363180	/nfs/dbraw/zinc/36/31/80/682363180.db2.gz	VVYSLJSGBMPHOP-CQSZACIVSA-N	-1	0	363.439	2.310	20	10		FECDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1sc(NC(C)=O)nc1C	ZINC000790418101	682675478	/nfs/dbraw/zinc/67/54/78/682675478.db2.gz	TWYSFIOLDKRADT-UHFFFAOYSA-N	-1	0	355.441	2.479	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c2c(nn1C)CCCC2	ZINC000872366948	684941300	/nfs/dbraw/zinc/94/13/00/684941300.db2.gz	MDYQQODEJUVBFL-UHFFFAOYSA-N	-1	0	351.428	2.204	20	10		FECDRM
COC(=O)[C@H](Cc1cncs1)NCc1cccc(Br)c1[O-]	ZINC000877800010	686465862	/nfs/dbraw/zinc/46/58/62/686465862.db2.gz	AUQBAISYFRORDY-LBPRGKRZSA-N	-1	0	371.256	2.485	20	10		FECDRM
CS(=O)(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H]1C(F)(F)F	ZINC000895235862	689681642	/nfs/dbraw/zinc/68/16/42/689681642.db2.gz	NEBRDEBMBDMGSI-MWLCHTKSSA-N	-1	0	359.316	2.078	20	10		FECDRM
Cn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(F)c2[O-])cn1	ZINC000895378224	689706321	/nfs/dbraw/zinc/70/63/21/689706321.db2.gz	IAGYQARWDYZRDR-QKFKETGDSA-N	-1	0	357.838	2.224	20	10		FECDRM
Cc1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(C)n1-c1ccccn1	ZINC000132695330	544240686	/nfs/dbraw/zinc/24/06/86/544240686.db2.gz	SAAYEOOQUQPLPK-CQSZACIVSA-N	-1	0	351.414	2.022	20	10		FECDRM
COC(=O)Cn1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000806285761	674372601	/nfs/dbraw/zinc/37/26/01/674372601.db2.gz	PAWGHOOFXFKBAC-UHFFFAOYSA-N	-1	0	373.196	2.390	20	10		FECDRM
CS(=O)(=O)N1CCc2c1cccc2NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000184228609	547791815	/nfs/dbraw/zinc/79/18/15/547791815.db2.gz	AGAZJCQKUJIRRF-UHFFFAOYSA-N	-1	0	363.395	2.235	20	10		FECDRM
COc1cc(Cl)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1O	ZINC000293824054	552859788	/nfs/dbraw/zinc/85/97/88/552859788.db2.gz	GBLYUXOWHCOKAX-UHFFFAOYSA-N	-1	0	370.858	2.334	20	10		FECDRM
Cc1nc([C@@H]2COCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1	ZINC000378530470	558576132	/nfs/dbraw/zinc/57/61/32/558576132.db2.gz	GGSUTCLXJGWSEZ-LBPRGKRZSA-N	-1	0	354.750	2.219	20	10		FECDRM
Cc1nnc2n1C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000807835800	674431335	/nfs/dbraw/zinc/43/13/35/674431335.db2.gz	KMMUZRIXZOSDMW-VIFPVBQESA-N	-1	0	355.225	2.478	20	10		FECDRM
CC(C)S(=O)(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000808364686	674456423	/nfs/dbraw/zinc/45/64/23/674456423.db2.gz	UAAKDETXUYKKFU-UHFFFAOYSA-N	-1	0	369.270	2.321	20	10		FECDRM
Cc1cc(C(=O)COC(=O)[C@@H](O)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000738319774	599791799	/nfs/dbraw/zinc/79/17/99/599791799.db2.gz	PEFMKDYDOGTRHG-SFHVURJKSA-N	-1	0	371.389	2.289	20	10		FECDRM
COc1ccc(O)c(CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c1	ZINC000738044666	600456566	/nfs/dbraw/zinc/45/65/66/600456566.db2.gz	QOSKRECBPQQKKZ-UHFFFAOYSA-N	-1	0	360.366	2.107	20	10		FECDRM
COCCOC[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831763754	600824659	/nfs/dbraw/zinc/82/46/59/600824659.db2.gz	VSHNFZVGANYJND-KQIUPUNMSA-N	-1	0	350.371	2.182	20	10		FECDRM
COc1ccc(N2CCCN(C(=O)c3ccnc(C(=O)[O-])c3)CC2)cc1	ZINC000832383487	601244797	/nfs/dbraw/zinc/24/47/97/601244797.db2.gz	IRHATJHRUNVJJV-UHFFFAOYSA-N	-1	0	355.394	2.141	20	10		FECDRM
C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	ZINC000739011841	602709848	/nfs/dbraw/zinc/70/98/48/602709848.db2.gz	WOBNVUPIIGDJNK-GFCCVEGCSA-N	-1	0	366.437	2.469	20	10		FECDRM
CCn1nc(C)cc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827718211	603025086	/nfs/dbraw/zinc/02/50/86/603025086.db2.gz	XFJFKSSDSMTMCH-HNNXBMFYSA-N	-1	0	359.430	2.016	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2noc3c2CCCC3)NC(=O)[O-])cc1	ZINC000828064131	603025874	/nfs/dbraw/zinc/02/58/74/603025874.db2.gz	LVWGECIDTNQFSY-OAHLLOKOSA-N	-1	0	372.425	2.358	20	10		FECDRM
CC(C)c1ncncc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000824496591	603030172	/nfs/dbraw/zinc/03/01/72/603030172.db2.gz	XQWPOYNAKYHJBY-INIZCTEOSA-N	-1	0	371.441	2.405	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)CCc2cscn2)NC(=O)[O-])cc1	ZINC000828063202	603030898	/nfs/dbraw/zinc/03/08/98/603030898.db2.gz	BRKBYGTZSHDDBX-OAHLLOKOSA-N	-1	0	362.455	2.267	20	10		FECDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000739762524	603343835	/nfs/dbraw/zinc/34/38/35/603343835.db2.gz	QMTJBKKUAYIQJL-NSHDSACASA-N	-1	0	356.806	2.021	20	10		FECDRM
C[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)NC(=O)[O-]	ZINC000824665534	603361340	/nfs/dbraw/zinc/36/13/40/603361340.db2.gz	UHDNECNLYJSDIT-JHJVBQTASA-N	-1	0	367.421	2.102	20	10		FECDRM
C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)NC(=O)[O-]	ZINC000824665535	603361375	/nfs/dbraw/zinc/36/13/75/603361375.db2.gz	UHDNECNLYJSDIT-RWMBFGLXSA-N	-1	0	367.421	2.102	20	10		FECDRM
COC(=O)/C=C\c1ccc(N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000739765996	603405485	/nfs/dbraw/zinc/40/54/85/603405485.db2.gz	XUAGZZJCGDWFBO-RKLVJPFCSA-N	-1	0	363.370	2.263	20	10		FECDRM
O=C([O-])N[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000832270162	603494281	/nfs/dbraw/zinc/49/42/81/603494281.db2.gz	OKFCWUHJXJZSSH-LSDHHAIUSA-N	-1	0	363.483	2.292	20	10		FECDRM
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cc1F	ZINC000828069007	603856762	/nfs/dbraw/zinc/85/67/62/603856762.db2.gz	XLQXYTXBIFKXDY-JSGCOSHPSA-N	-1	0	352.410	2.127	20	10		FECDRM
COc1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(O)c1	ZINC000829284447	603931907	/nfs/dbraw/zinc/93/19/07/603931907.db2.gz	JMOKHSVCBLZVST-INIZCTEOSA-N	-1	0	373.409	2.206	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2O)NC(=O)[O-])cc1	ZINC000828064195	603931999	/nfs/dbraw/zinc/93/19/99/603931999.db2.gz	NRZJOOIOFBZOSV-INIZCTEOSA-N	-1	0	357.410	2.126	20	10		FECDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000824863156	604104062	/nfs/dbraw/zinc/10/40/62/604104062.db2.gz	SOZRRSCLKVPYRV-ZDUSSCGKSA-N	-1	0	351.472	2.102	20	10		FECDRM
COc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1O	ZINC000829560134	604204540	/nfs/dbraw/zinc/20/45/40/604204540.db2.gz	OVUPDUMYIYFQHN-YPMHNXCESA-N	-1	0	351.403	2.026	20	10		FECDRM
O=C([O-])N[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000740596536	604292155	/nfs/dbraw/zinc/29/21/55/604292155.db2.gz	MVBOBQRFTNZTDI-CYBMUJFWSA-N	-1	0	356.378	2.171	20	10		FECDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)cc1	ZINC000830825434	604483114	/nfs/dbraw/zinc/48/31/14/604483114.db2.gz	VYJTUXBIYUYSIQ-UHFFFAOYSA-N	-1	0	361.423	2.109	20	10		FECDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1	ZINC000833733989	604688536	/nfs/dbraw/zinc/68/85/36/604688536.db2.gz	YCMOOFLXGGCQPW-SECBINFHSA-N	-1	0	369.370	2.278	20	10		FECDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000833733829	605036500	/nfs/dbraw/zinc/03/65/00/605036500.db2.gz	RVFUCHCGSBFXTE-UHFFFAOYSA-N	-1	0	371.798	2.231	20	10		FECDRM
CCCn1c(C)nnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833652290	605048049	/nfs/dbraw/zinc/04/80/49/605048049.db2.gz	ITAXZYSNQXATKM-UHFFFAOYSA-N	-1	0	352.822	2.442	20	10		FECDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000827156590	605245268	/nfs/dbraw/zinc/24/52/68/605245268.db2.gz	JPPCPCKLVNVUER-QGZVFWFLSA-N	-1	0	363.458	2.260	20	10		FECDRM
O=C([O-])N1CC[C@@H](N(C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)C1	ZINC000831929303	605403434	/nfs/dbraw/zinc/40/34/34/605403434.db2.gz	TVPJOEOOLOEPIF-GOSISDBHSA-N	-1	0	370.453	2.489	20	10		FECDRM
O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1O	ZINC000834252868	605910734	/nfs/dbraw/zinc/91/07/34/605910734.db2.gz	WRJGQVQWDCVPOZ-INIZCTEOSA-N	-1	0	353.378	2.369	20	10		FECDRM
O=C([O-])Nc1cnc(C(=O)NCc2ccc(N3CCSCC3)cc2)cn1	ZINC000834276743	606001490	/nfs/dbraw/zinc/00/14/90/606001490.db2.gz	HBPQPOXWKOBULX-UHFFFAOYSA-N	-1	0	373.438	2.050	20	10		FECDRM
Cc1c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cnn1C	ZINC000813706733	674772279	/nfs/dbraw/zinc/77/22/79/674772279.db2.gz	SLIXASMIDLODEP-UHFFFAOYSA-N	-1	0	350.227	2.219	20	10		FECDRM
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(Cl)nc1	ZINC000055679234	670354188	/nfs/dbraw/zinc/35/41/88/670354188.db2.gz	VMHWIKCAJJLALB-UHFFFAOYSA-N	-1	0	353.831	2.372	20	10		FECDRM
CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000817356374	675124643	/nfs/dbraw/zinc/12/46/43/675124643.db2.gz	KCJDHBOBMGOTOV-CQSZACIVSA-N	-1	0	366.395	2.300	20	10		FECDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCSc1nccs1	ZINC000194109117	672747731	/nfs/dbraw/zinc/74/77/31/672747731.db2.gz	PCAIZBPYBXVNKG-VIFPVBQESA-N	-1	0	369.434	2.445	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000237081443	672806468	/nfs/dbraw/zinc/80/64/68/672806468.db2.gz	SNWJCLDWUJZZOH-UHFFFAOYSA-N	-1	0	354.453	2.333	20	10		FECDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)oc1C	ZINC000766047352	680864259	/nfs/dbraw/zinc/86/42/59/680864259.db2.gz	MQSRFOKKAYXFKW-UHFFFAOYSA-N	-1	0	353.352	2.084	20	10		FECDRM
O=C([O-])c1cc(NS(=O)(=O)CCOc2ccc(F)cc2)ccc1O	ZINC000751185892	680158829	/nfs/dbraw/zinc/15/88/29/680158829.db2.gz	FDCQLMVJUHJTON-UHFFFAOYSA-N	-1	0	355.343	2.050	20	10		FECDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c1	ZINC000753919165	680324564	/nfs/dbraw/zinc/32/45/64/680324564.db2.gz	UQLPBUMDAKOMPP-UHFFFAOYSA-N	-1	0	365.392	2.386	20	10		FECDRM
O=C([O-])CN1C(=O)/C(=C\c2cncc(Br)c2)SC1=S	ZINC000767341301	680908441	/nfs/dbraw/zinc/90/84/41/680908441.db2.gz	XSFPQSXGGCQROX-KRXBUXKQSA-N	-1	0	359.226	2.130	20	10		FECDRM
Cn1c(=O)sc2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)ccc21	ZINC000773140200	681127168	/nfs/dbraw/zinc/12/71/68/681127168.db2.gz	PUWOBTOZIUMLOA-LCYFTJDESA-N	-1	0	351.387	2.061	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F	ZINC000775286977	681292494	/nfs/dbraw/zinc/29/24/94/681292494.db2.gz	SSOUPQNURSPQKU-UHFFFAOYSA-N	-1	0	361.297	2.397	20	10		FECDRM
Cc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000775286609	681292533	/nfs/dbraw/zinc/29/25/33/681292533.db2.gz	ZTFRNHKEMQBWGR-UHFFFAOYSA-N	-1	0	353.312	2.318	20	10		FECDRM
COc1ccnc(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1	ZINC000775648324	681321689	/nfs/dbraw/zinc/32/16/89/681321689.db2.gz	DTSQBTKACKIACA-UHFFFAOYSA-N	-1	0	352.797	2.306	20	10		FECDRM
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cccc(Br)c1[O-]	ZINC000779146069	681684758	/nfs/dbraw/zinc/68/47/58/681684758.db2.gz	YVYVUPYHXAXNPJ-DGCLKSJQSA-N	-1	0	358.232	2.307	20	10		FECDRM
COc1ccc(N(Cc2cccs2)[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000852725797	682326845	/nfs/dbraw/zinc/32/68/45/682326845.db2.gz	OZBNVEOUJXFIBK-INIZCTEOSA-N	-1	0	360.435	2.449	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2sccc2C)cc1	ZINC000853007202	682363328	/nfs/dbraw/zinc/36/33/28/682363328.db2.gz	QZGABQNQYDNNLI-UHFFFAOYSA-N	-1	0	362.451	2.315	20	10		FECDRM
Cc1cc2c(cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)OCO2	ZINC000794871580	683000975	/nfs/dbraw/zinc/00/09/75/683000975.db2.gz	CNHHNVOZWDBEDX-UHFFFAOYSA-N	-1	0	352.324	2.138	20	10		FECDRM
CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000799544835	683466977	/nfs/dbraw/zinc/46/69/77/683466977.db2.gz	HNRGUKVDTIRYRT-UHFFFAOYSA-N	-1	0	351.380	2.378	20	10		FECDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871873693	684871501	/nfs/dbraw/zinc/87/15/01/684871501.db2.gz	SYNVDEYUBFTDDD-UHFFFAOYSA-N	-1	0	362.451	2.167	20	10		FECDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)nc1C(C)(C)C	ZINC000872375804	684942061	/nfs/dbraw/zinc/94/20/61/684942061.db2.gz	SQDJBHJFWRQZOF-UHFFFAOYSA-N	-1	0	353.444	2.370	20	10		FECDRM
CO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1)C1CCCC1	ZINC000872385554	684942688	/nfs/dbraw/zinc/94/26/88/684942688.db2.gz	ZCGRQFODKWLEET-GFCCVEGCSA-N	-1	0	356.473	2.143	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCCC(F)(F)C2)cc1	ZINC000872991667	685044644	/nfs/dbraw/zinc/04/46/44/685044644.db2.gz	KRRWWGPMFXZYIU-GFCCVEGCSA-N	-1	0	356.369	2.280	20	10		FECDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ncc(Cl)s2)cc1	ZINC000873003801	685047091	/nfs/dbraw/zinc/04/70/91/685047091.db2.gz	QJAUNKHRVDJCPY-UHFFFAOYSA-N	-1	0	369.830	2.013	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCOC[C@@H]1CCCO1	ZINC000911359626	685202426	/nfs/dbraw/zinc/20/24/26/685202426.db2.gz	DJHNUCQTLZZSLB-AWEZNQCLSA-N	-1	0	371.817	2.045	20	10		FECDRM
CC(C)c1nccn1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360194	685203161	/nfs/dbraw/zinc/20/31/61/685203161.db2.gz	OINNRBLYJIAONO-UHFFFAOYSA-N	-1	0	365.817	2.479	20	10		FECDRM
O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805219755	674326501	/nfs/dbraw/zinc/32/65/01/674326501.db2.gz	UOIZXXYPFHLOKB-UHFFFAOYSA-N	-1	0	374.184	2.303	20	10		FECDRM
O=C(NCCC1(O)CCOCC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805773132	674353100	/nfs/dbraw/zinc/35/31/00/674353100.db2.gz	SHAZSRIOPHWJPM-UHFFFAOYSA-N	-1	0	363.241	2.430	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000181844963	547390133	/nfs/dbraw/zinc/39/01/33/547390133.db2.gz	HZCVHJGSVRWAQT-UHFFFAOYSA-N	-1	0	371.393	2.409	20	10		FECDRM
Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2=O)n1	ZINC000293686507	552847296	/nfs/dbraw/zinc/84/72/96/552847296.db2.gz	RWLIKLHSPZLLSY-CYBMUJFWSA-N	-1	0	352.797	2.203	20	10		FECDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1NC(=O)C[C@@H]1C(F)(F)F	ZINC000366219338	555784649	/nfs/dbraw/zinc/78/46/49/555784649.db2.gz	SEHCVJBLQWUFRY-OIBJUYFYSA-N	-1	0	371.142	2.382	20	10		FECDRM
Cc1nc2n(n1)C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC2	ZINC000376775978	558220129	/nfs/dbraw/zinc/22/01/29/558220129.db2.gz	GBYOUFRZQYQASP-LLVKDONJSA-N	-1	0	370.240	2.413	20	10		FECDRM
O=C([O-])CSCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000819539757	597144440	/nfs/dbraw/zinc/14/44/40/597144440.db2.gz	PFEXVPQEETXPGZ-LLVKDONJSA-N	-1	0	374.409	2.191	20	10		FECDRM
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000817867514	598173700	/nfs/dbraw/zinc/17/37/00/598173700.db2.gz	GTNZLSAOXOPIDU-UHFFFAOYSA-N	-1	0	369.421	2.486	20	10		FECDRM
COCCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1=O	ZINC000807839047	674431331	/nfs/dbraw/zinc/43/13/31/674431331.db2.gz	VPFUENDSLOFXHO-UHFFFAOYSA-N	-1	0	371.220	2.437	20	10		FECDRM
O=C(CNC(=O)c1ccc(O)cc1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837126	674431365	/nfs/dbraw/zinc/43/13/65/674431365.db2.gz	CCQRCDVSPRYDGL-UHFFFAOYSA-N	-1	0	369.204	2.451	20	10		FECDRM
O=C1COc2ccc(S(=O)(=O)Nc3cc(Cl)c([O-])cc3F)cc2N1	ZINC000808115734	674442008	/nfs/dbraw/zinc/44/20/08/674442008.db2.gz	QLMORHWPYGDDGA-UHFFFAOYSA-N	-1	0	372.761	2.316	20	10		FECDRM
CC(C)C(=O)N[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000736346000	599706227	/nfs/dbraw/zinc/70/62/27/599706227.db2.gz	XKFQHTVFRHMKLJ-OWNNVSBGSA-N	-1	0	361.398	2.434	20	10		FECDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000737494586	599879740	/nfs/dbraw/zinc/87/97/40/599879740.db2.gz	WHAGQWFZIJEDBJ-UHFFFAOYSA-N	-1	0	356.378	2.007	20	10		FECDRM
CN(C)c1ccc(CNC(=O)Nc2nnc(CCC(=O)[O-])s2)cc1F	ZINC000737375748	600290868	/nfs/dbraw/zinc/29/08/68/600290868.db2.gz	NCOPUJQRJFHEAB-UHFFFAOYSA-N	-1	0	367.406	2.082	20	10		FECDRM
CN(Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1)C(=O)[O-]	ZINC000737477466	600366558	/nfs/dbraw/zinc/36/65/58/600366558.db2.gz	SZQFLDIKRQMUJM-UHFFFAOYSA-N	-1	0	371.393	2.099	20	10		FECDRM
CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccccc2C(=O)[O-])cc1	ZINC000830636253	600694320	/nfs/dbraw/zinc/69/43/20/600694320.db2.gz	WMGUDKUVERPMMR-UHFFFAOYSA-N	-1	0	362.451	2.413	20	10		FECDRM
Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c(C)n1-c1ccccn1	ZINC000832864236	600905150	/nfs/dbraw/zinc/90/51/50/600905150.db2.gz	WODSTSKMQFMQER-KRWDZBQOSA-N	-1	0	350.378	2.440	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000737476589	601126221	/nfs/dbraw/zinc/12/62/21/601126221.db2.gz	KWAGUFNCFBHGLW-IAGOWNOFSA-N	-1	0	360.454	2.373	20	10		FECDRM
Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000832938347	601157372	/nfs/dbraw/zinc/15/73/72/601157372.db2.gz	KLILLOIQYQUAET-UHFFFAOYSA-N	-1	0	355.394	2.014	20	10		FECDRM
Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000832974633	601595355	/nfs/dbraw/zinc/59/53/55/601595355.db2.gz	LIBFCUHOQASZRQ-QAPCUYQASA-N	-1	0	356.422	2.105	20	10		FECDRM
O=C([O-])c1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c[nH]1	ZINC000833298027	601792480	/nfs/dbraw/zinc/79/24/80/601792480.db2.gz	MIFLCFWMRRAJBC-BJMVGYQFSA-N	-1	0	352.306	2.275	20	10		FECDRM
CCC[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000739315652	601864774	/nfs/dbraw/zinc/86/47/74/601864774.db2.gz	KHBPURACZJPOAK-OAHLLOKOSA-N	-1	0	351.472	2.292	20	10		FECDRM
CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000739528457	601871983	/nfs/dbraw/zinc/87/19/83/601871983.db2.gz	OPSVJLJVVFTICK-JMSVASOKSA-N	-1	0	367.421	2.102	20	10		FECDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739225083	602110565	/nfs/dbraw/zinc/11/05/65/602110565.db2.gz	LXJCYLXXXLWUND-YOEHRIQHSA-N	-1	0	363.458	2.164	20	10		FECDRM
Cn1cc([C@@]2(C)CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)cn1	ZINC000833043260	602139369	/nfs/dbraw/zinc/13/93/69/602139369.db2.gz	KDSPPFFZQNUHNJ-MJICGBHWSA-N	-1	0	372.381	2.178	20	10		FECDRM
CN(C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C(=O)[O-]	ZINC000739648872	602617995	/nfs/dbraw/zinc/61/79/95/602617995.db2.gz	HRMITEFWUJUNBR-MRXNPFEDSA-N	-1	0	360.458	2.428	20	10		FECDRM
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1NC(=O)[O-]	ZINC000739144074	602936304	/nfs/dbraw/zinc/93/63/04/602936304.db2.gz	WPZJPCYZBBYVLE-FZMZJTMJSA-N	-1	0	352.410	2.079	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc32)NC(=O)[O-])cc1	ZINC000828054979	603025383	/nfs/dbraw/zinc/02/53/83/603025383.db2.gz	ATTPBHFATBPVOI-SJORKVTESA-N	-1	0	369.421	2.354	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cncc(F)c2)NC(=O)[O-])cc1	ZINC000828064831	603026504	/nfs/dbraw/zinc/02/65/04/603026504.db2.gz	ZNJYHSBNDBNFDX-HJYWZVSTSA-N	-1	0	372.400	2.425	20	10		FECDRM
CC(C)n1ccc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000824520212	603027196	/nfs/dbraw/zinc/02/71/96/603027196.db2.gz	MLTDWNGYEHESGK-QGZVFWFLSA-N	-1	0	373.457	2.198	20	10		FECDRM
COc1ccccc1CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829619802	603029668	/nfs/dbraw/zinc/02/96/68/603029668.db2.gz	YOHZWUZDMQDJOI-QGZVFWFLSA-N	-1	0	371.437	2.429	20	10		FECDRM
CN(C)c1ccc([C@H](CNC(=O)c2cnn3ccccc23)NC(=O)[O-])cc1	ZINC000828064528	603032763	/nfs/dbraw/zinc/03/27/63/603032763.db2.gz	RTCAAMNCWSNDEI-INIZCTEOSA-N	-1	0	367.409	2.139	20	10		FECDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000739199284	603117295	/nfs/dbraw/zinc/11/72/95/603117295.db2.gz	GGAWRZBJBSNTFY-CJNGLKHVSA-N	-1	0	361.442	2.406	20	10		FECDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000739925536	603127822	/nfs/dbraw/zinc/12/78/22/603127822.db2.gz	OZLZBYNHNVQCBO-RBZYPMLTSA-N	-1	0	352.387	2.081	20	10		FECDRM
O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000832270161	603494361	/nfs/dbraw/zinc/49/43/61/603494361.db2.gz	OKFCWUHJXJZSSH-HUUCEWRRSA-N	-1	0	363.483	2.292	20	10		FECDRM
COc1cccc(CNC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1O	ZINC000829560889	603556655	/nfs/dbraw/zinc/55/66/55/603556655.db2.gz	VRBTWTGAQGDYNO-HNNXBMFYSA-N	-1	0	358.394	2.286	20	10		FECDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3n[nH]cc3c2)NC(=O)[O-])cc1	ZINC000828063723	603950665	/nfs/dbraw/zinc/95/06/65/603950665.db2.gz	HUKAUJSCBBGGDK-QGZVFWFLSA-N	-1	0	367.409	2.368	20	10		FECDRM
O=C([O-])NC1(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1	ZINC000832194425	604222087	/nfs/dbraw/zinc/22/20/87/604222087.db2.gz	TWWFXEILOHGXEE-HNNXBMFYSA-N	-1	0	362.426	2.480	20	10		FECDRM
COc1cccc(CNC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1O	ZINC000829558587	604224214	/nfs/dbraw/zinc/22/42/14/604224214.db2.gz	BFXJXPLZSCENCG-AWEZNQCLSA-N	-1	0	359.382	2.209	20	10		FECDRM
O=C([O-])c1ccc2c(c1)CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2	ZINC000833786038	604835820	/nfs/dbraw/zinc/83/58/20/604835820.db2.gz	LJZDCNQWDPSMSP-UHFFFAOYSA-N	-1	0	369.333	2.187	20	10		FECDRM
COc1ccc(O)c(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)c1	ZINC000832424637	604967302	/nfs/dbraw/zinc/96/73/02/604967302.db2.gz	HFSYEHDJTTVURE-UHFFFAOYSA-N	-1	0	351.384	2.196	20	10		FECDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2csc(C(=O)[O-])c2)c1	ZINC000833733828	605034029	/nfs/dbraw/zinc/03/40/29/605034029.db2.gz	RTHPXXAUJSKTHJ-QMMMGPOBSA-N	-1	0	357.409	2.200	20	10		FECDRM
CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1NC(=O)[O-]	ZINC000833846207	605369558	/nfs/dbraw/zinc/36/95/58/605369558.db2.gz	GIGZGCCMDYJALY-DZGCQCFKSA-N	-1	0	366.437	2.469	20	10		FECDRM
CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1NC(=O)[O-]	ZINC000833846214	605370150	/nfs/dbraw/zinc/37/01/50/605370150.db2.gz	GIGZGCCMDYJALY-UKRRQHHQSA-N	-1	0	366.437	2.469	20	10		FECDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	ZINC000833815486	605677940	/nfs/dbraw/zinc/67/79/40/605677940.db2.gz	HROQGNBAKVFXRJ-WDEREUQCSA-N	-1	0	358.489	2.313	20	10		FECDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C)CCCN1C(=O)[O-]	ZINC000833874199	605678198	/nfs/dbraw/zinc/67/81/98/605678198.db2.gz	CZIXUZJVOPXWAZ-LJQANCHMSA-N	-1	0	361.442	2.014	20	10		FECDRM
O=C([O-])N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000834130287	606015052	/nfs/dbraw/zinc/01/50/52/606015052.db2.gz	MPHWCPZJTUKPLB-CYBMUJFWSA-N	-1	0	373.425	2.147	20	10		FECDRM
O=S(=O)(C1CC1)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816600685	675067633	/nfs/dbraw/zinc/06/76/33/675067633.db2.gz	FBLYHAYJGAMEPM-UHFFFAOYSA-N	-1	0	362.854	2.185	20	10		FECDRM
Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000161910143	672300401	/nfs/dbraw/zinc/30/04/01/672300401.db2.gz	GPENDPKQKWFPJU-UHFFFAOYSA-N	-1	0	360.395	2.034	20	10		FECDRM
CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000161954858	672300831	/nfs/dbraw/zinc/30/08/31/672300831.db2.gz	WQBIXGDSFCBRAQ-UHFFFAOYSA-N	-1	0	360.395	2.082	20	10		FECDRM
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000743049642	673748075	/nfs/dbraw/zinc/74/80/75/673748075.db2.gz	KWAFICBLFDTZHV-UHFFFAOYSA-N	-1	0	350.425	2.353	20	10		FECDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]2CCOC[C@H]21	ZINC000839187378	680743770	/nfs/dbraw/zinc/74/37/70/680743770.db2.gz	SNJOZUHKSQEXSX-QWHCGFSZSA-N	-1	0	366.266	2.087	20	10		FECDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1C	ZINC000749153504	680024015	/nfs/dbraw/zinc/02/40/15/680024015.db2.gz	CULIQUMLHVJGSD-UHFFFAOYSA-N	-1	0	373.431	2.092	20	10		FECDRM
COc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1O	ZINC000751310016	680167254	/nfs/dbraw/zinc/16/72/54/680167254.db2.gz	VHFZQDICNXCDEE-UHFFFAOYSA-N	-1	0	372.786	2.441	20	10		FECDRM
O=C([O-])C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	ZINC000844251874	681046736	/nfs/dbraw/zinc/04/67/36/681046736.db2.gz	KEHFVVLKFSVUSJ-NSHDSACASA-N	-1	0	354.353	2.238	20	10		FECDRM
C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccc(N(C)C)cc1	ZINC000844884497	681089841	/nfs/dbraw/zinc/08/98/41/681089841.db2.gz	BIOJWGDGHNZFJA-ZDUSSCGKSA-N	-1	0	362.451	2.419	20	10		FECDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000775286089	681291917	/nfs/dbraw/zinc/29/19/17/681291917.db2.gz	CDYWRTATXUQIEI-UHFFFAOYSA-N	-1	0	361.297	2.397	20	10		FECDRM
CCn1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c([N+](=O)[O-])n1	ZINC000775291157	681293485	/nfs/dbraw/zinc/29/34/85/681293485.db2.gz	BUXHUNQRHWUVKK-UHFFFAOYSA-N	-1	0	354.388	2.243	20	10		FECDRM
CC(C)(C)n1nnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000847420480	681376674	/nfs/dbraw/zinc/37/66/74/681376674.db2.gz	QWAGQNBZSQOQCJ-UHFFFAOYSA-N	-1	0	373.244	2.440	20	10		FECDRM
O=S(=O)(c1ccccc1[O-])N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000849377573	681702715	/nfs/dbraw/zinc/70/27/15/681702715.db2.gz	NKCQCMNFLPIKNC-OAHLLOKOSA-N	-1	0	363.435	2.468	20	10		FECDRM
COCc1nnc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])[n-]1	ZINC000850515570	681911020	/nfs/dbraw/zinc/91/10/20/681911020.db2.gz	YVFVUFUOXCCRNU-SSDOTTSWSA-N	-1	0	359.199	2.409	20	10		FECDRM
COc1cc(C)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000916663199	685526731	/nfs/dbraw/zinc/52/67/31/685526731.db2.gz	CROYZQGMMLBUFE-SDQBBNPISA-N	-1	0	353.421	2.298	20	10		FECDRM
O=C([O-])CN1CC[C@H](N2CCCc3cc(OC(F)(F)F)ccc32)C1=O	ZINC000852725805	682326557	/nfs/dbraw/zinc/32/65/57/682326557.db2.gz	PFUPFBORSABUBS-ZDUSSCGKSA-N	-1	0	358.316	2.023	20	10		FECDRM
COC(=O)C1(CS(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)CCCCC1	ZINC000793409411	682887168	/nfs/dbraw/zinc/88/71/68/682887168.db2.gz	PRYTZNBADVNSGI-UHFFFAOYSA-N	-1	0	369.439	2.460	20	10		FECDRM
O=S(=O)([N-]c1cccc2c1OCC[C@H]2O)c1cccc2nsnc21	ZINC000795347793	683042738	/nfs/dbraw/zinc/04/27/38/683042738.db2.gz	DBLKOGLUXOIDFU-GFCCVEGCSA-N	-1	0	363.420	2.308	20	10		FECDRM
COc1cc([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)ccc1O	ZINC000797820362	683276226	/nfs/dbraw/zinc/27/62/26/683276226.db2.gz	UJCCUWNQELQJGY-UHFFFAOYSA-N	-1	0	368.802	2.206	20	10		FECDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1	ZINC000872366249	684940983	/nfs/dbraw/zinc/94/09/83/684940983.db2.gz	ATRRKYUIECVWQZ-MRXNPFEDSA-N	-1	0	359.444	2.117	20	10		FECDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CSCCS1	ZINC000911360197	685202935	/nfs/dbraw/zinc/20/29/35/685202935.db2.gz	OJZGXMYHWQTSHH-LBPRGKRZSA-N	-1	0	361.872	2.307	20	10		FECDRM
O=C([O-])[C@H]1CCC[N@H+](CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000911746140	685253032	/nfs/dbraw/zinc/25/30/32/685253032.db2.gz	WBIRELKYRZWOCA-VIFPVBQESA-N	-1	0	361.225	2.112	20	10		FECDRM
CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(F)c(F)c2[O-])cn1	ZINC000877474704	686385107	/nfs/dbraw/zinc/38/51/07/686385107.db2.gz	CPHINFXSDPQZQP-SHACYNPGSA-N	-1	0	355.410	2.192	20	10		FECDRM
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894038759	689454598	/nfs/dbraw/zinc/45/45/98/689454598.db2.gz	FSXQNHSPKKRSHD-RKDXNWHRSA-N	-1	0	366.252	2.301	20	10		FECDRM