smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCS(=O)(=O)C2)cc1F	ZINC000032589082	660160192	/nfs/dbraw/zinc/16/01/92/660160192.db2.gz	FLWZRIIOAHQSQP-MRVPVSSYSA-N	-2	1	366.392	-0.422	20	0		FBADML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)cc1F	ZINC000032589083	660160171	/nfs/dbraw/zinc/16/01/71/660160171.db2.gz	FLWZRIIOAHQSQP-QMMMGPOBSA-N	-2	1	366.392	-0.422	20	0		FBADML
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1sccc1Br	ZINC000042350515	483619489	/nfs/dbraw/zinc/61/94/89/483619489.db2.gz	MZRVKZOSHJPWFN-UHFFFAOYSA-N	-2	1	357.207	-0.010	20	0		FBADML
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NC)cc1	ZINC000057124760	657442660	/nfs/dbraw/zinc/44/26/60/657442660.db2.gz	RIJUICRMSMFOEO-UHFFFAOYSA-N	-2	1	364.449	-0.161	20	0		FBADML
CNC(=O)[N-][N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000057124771	658663284	/nfs/dbraw/zinc/66/32/84/658663284.db2.gz	BMPOPIIBWLCDGB-UHFFFAOYSA-N	-2	1	362.433	-0.407	20	0		FBADML
CCc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)s1	ZINC000057124792	660102596	/nfs/dbraw/zinc/10/25/96/660102596.db2.gz	YROTZDXHDLKJOK-MRVPVSSYSA-N	-2	1	367.474	-0.010	20	0		FBADML
CCc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)s1	ZINC000057124793	660102512	/nfs/dbraw/zinc/10/25/12/660102512.db2.gz	YROTZDXHDLKJOK-QMMMGPOBSA-N	-2	1	367.474	-0.010	20	0		FBADML
Cc1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124853	660102496	/nfs/dbraw/zinc/10/24/96/660102496.db2.gz	IFKUAVBQFRHWTN-SNVBAGLBSA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000057124854	660102544	/nfs/dbraw/zinc/10/25/44/660102544.db2.gz	IFKUAVBQFRHWTN-JTQLQIEISA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)s1	ZINC000057124880	660102614	/nfs/dbraw/zinc/10/26/14/660102614.db2.gz	BVSWLDNFNXCRKH-MRVPVSSYSA-N	-2	1	353.447	-0.264	20	0		FBADML
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)s1	ZINC000057124881	660102560	/nfs/dbraw/zinc/10/25/60/660102560.db2.gz	BVSWLDNFNXCRKH-QMMMGPOBSA-N	-2	1	353.447	-0.264	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124908	660102485	/nfs/dbraw/zinc/10/24/85/660102485.db2.gz	XNJBQDSUOAFKHD-SECBINFHSA-N	-2	1	351.381	-0.495	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1	ZINC000057124909	660102603	/nfs/dbraw/zinc/10/26/03/660102603.db2.gz	XNJBQDSUOAFKHD-VIFPVBQESA-N	-2	1	351.381	-0.495	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124912	658663644	/nfs/dbraw/zinc/66/36/44/658663644.db2.gz	DHBDMIPXYQDLQS-MRVPVSSYSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CCS(=O)(=O)C1	ZINC000057124913	658663539	/nfs/dbraw/zinc/66/35/39/658663539.db2.gz	DHBDMIPXYQDLQS-QMMMGPOBSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124916	658663607	/nfs/dbraw/zinc/66/36/07/658663607.db2.gz	UDIFXOJQJGNLEJ-SECBINFHSA-N	-2	1	351.381	-0.495	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1	ZINC000057124917	658663390	/nfs/dbraw/zinc/66/33/90/658663390.db2.gz	UDIFXOJQJGNLEJ-VIFPVBQESA-N	-2	1	351.381	-0.495	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124924	660102549	/nfs/dbraw/zinc/10/25/49/660102549.db2.gz	OASJIHXYFSPTPE-MRVPVSSYSA-N	-2	1	351.381	-0.495	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCS(=O)(=O)C1	ZINC000057124925	658663260	/nfs/dbraw/zinc/66/32/60/658663260.db2.gz	OASJIHXYFSPTPE-QMMMGPOBSA-N	-2	1	351.381	-0.495	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124958	660102591	/nfs/dbraw/zinc/10/25/91/660102591.db2.gz	ALFKGDTXDMFGCE-SSDOTTSWSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCS(=O)(=O)C1	ZINC000057124959	660102546	/nfs/dbraw/zinc/10/25/46/660102546.db2.gz	ALFKGDTXDMFGCE-ZETCQYMHSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cc(F)ccc1F)N[C@@H]1CCS(=O)(=O)C1	ZINC000057124992	660102557	/nfs/dbraw/zinc/10/25/57/660102557.db2.gz	MGVLBEHCGOYDAC-MRVPVSSYSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cc(F)ccc1F)N[C@H]1CCS(=O)(=O)C1	ZINC000057124993	658663516	/nfs/dbraw/zinc/66/35/16/658663516.db2.gz	MGVLBEHCGOYDAC-QMMMGPOBSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cc(F)cc(F)c1)N[C@@H]1CCS(=O)(=O)C1	ZINC000057125014	658663304	/nfs/dbraw/zinc/66/33/04/658663304.db2.gz	LEHWIVUCESXWSU-SECBINFHSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cc(F)cc(F)c1)N[C@H]1CCS(=O)(=O)C1	ZINC000057125015	660102538	/nfs/dbraw/zinc/10/25/38/660102538.db2.gz	LEHWIVUCESXWSU-VIFPVBQESA-N	-2	1	369.371	-0.356	20	0		FBADML
Cc1cc(F)ccc1S(=O)(=O)[N-][N-]C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000057125034	660102552	/nfs/dbraw/zinc/10/25/52/660102552.db2.gz	AIBRJLHTVGTFMV-SNVBAGLBSA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1cc(F)ccc1S(=O)(=O)[N-][N-]C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000057125035	660102579	/nfs/dbraw/zinc/10/25/79/660102579.db2.gz	AIBRJLHTVGTFMV-JTQLQIEISA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000057125050	660102522	/nfs/dbraw/zinc/10/25/22/660102522.db2.gz	SOCSJNLDXOKUIG-SECBINFHSA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000057125051	658664380	/nfs/dbraw/zinc/66/43/80/658664380.db2.gz	SOCSJNLDXOKUIG-VIFPVBQESA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F	ZINC000057125056	660102598	/nfs/dbraw/zinc/10/25/98/660102598.db2.gz	DZNWGQCPSUMXMR-SECBINFHSA-N	-2	1	365.408	-0.186	20	0		FBADML
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F	ZINC000057125057	660102518	/nfs/dbraw/zinc/10/25/18/660102518.db2.gz	DZNWGQCPSUMXMR-VIFPVBQESA-N	-2	1	365.408	-0.186	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@@H]1CCS(=O)(=O)C1	ZINC000057125072	660102572	/nfs/dbraw/zinc/10/25/72/660102572.db2.gz	YYKOQEKVBCUJPA-SSDOTTSWSA-N	-2	1	369.371	-0.356	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@H]1CCS(=O)(=O)C1	ZINC000057125073	660102611	/nfs/dbraw/zinc/10/26/11/660102611.db2.gz	YYKOQEKVBCUJPA-ZETCQYMHSA-N	-2	1	369.371	-0.356	20	0		FBADML
CN(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2ccc(Cl)cc2[O-])nn1	ZINC000063582380	660111757	/nfs/dbraw/zinc/11/17/57/660111757.db2.gz	OFPSLWQVFGSITD-UHFFFAOYSA-N	-2	1	366.765	-0.200	20	0		FBADML
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)c1	ZINC000064477334	660215922	/nfs/dbraw/zinc/21/59/22/660215922.db2.gz	VTXTXCUSARTECM-UHFFFAOYSA-N	-2	1	362.433	-0.503	20	0		FBADML
CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1	ZINC000064477363	660215999	/nfs/dbraw/zinc/21/59/99/660215999.db2.gz	AIOVYEDATUTDSS-UHFFFAOYSA-N	-2	1	350.422	-0.503	20	0		FBADML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000064940170	657381515	/nfs/dbraw/zinc/38/15/15/657381515.db2.gz	ZFBQGXYADXYNOG-UHFFFAOYSA-N	-2	1	359.360	-0.228	20	0		FBADML
O=C([N-][N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)NCc1ccco1	ZINC000065832749	658198329	/nfs/dbraw/zinc/19/83/29/658198329.db2.gz	LUZFXIFGNMULDU-UHFFFAOYSA-N	-2	1	363.359	-0.052	20	0		FBADML
NS(=O)(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c1	ZINC000065832995	658198194	/nfs/dbraw/zinc/19/81/94/658198194.db2.gz	PLDXDYPJTCENOA-UHFFFAOYSA-N	-2	1	362.433	-0.231	20	0		FBADML
NS(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc1	ZINC000065833046	658198300	/nfs/dbraw/zinc/19/83/00/658198300.db2.gz	CULLLEATVYGAAI-UHFFFAOYSA-N	-2	1	362.433	-0.231	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000261645224	243279689	/nfs/dbraw/zinc/27/96/89/243279689.db2.gz	IYOAPGZBGXLVHE-NSHDSACASA-N	-2	1	367.383	-0.942	20	0		FBADML
CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000261859196	535970039	/nfs/dbraw/zinc/97/00/39/535970039.db2.gz	YDNSVDFKUHSLTO-CPCISQLKSA-N	-2	1	361.376	-0.728	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000262183217	243301941	/nfs/dbraw/zinc/30/19/41/243301941.db2.gz	IYOAPGZBGXLVHE-LLVKDONJSA-N	-2	1	367.383	-0.942	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])o1	ZINC000262236902	536313299	/nfs/dbraw/zinc/31/32/99/536313299.db2.gz	OEIICIQWPIXHPJ-MRVPVSSYSA-N	-2	1	361.376	-0.761	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])o1	ZINC000262236903	536313155	/nfs/dbraw/zinc/31/31/55/536313155.db2.gz	OEIICIQWPIXHPJ-QMMMGPOBSA-N	-2	1	361.376	-0.761	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)o1	ZINC000262480836	243321986	/nfs/dbraw/zinc/32/19/86/243321986.db2.gz	XZXOJXCHTSYLBL-LKFCYVNXSA-N	-2	1	358.372	-0.249	20	0		FBADML
CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000262672010	243330507	/nfs/dbraw/zinc/33/05/07/243330507.db2.gz	PWEINJICLRBGMP-MRVPVSSYSA-N	-2	1	361.376	-0.728	20	0		FBADML
CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000262672011	243331418	/nfs/dbraw/zinc/33/14/18/243331418.db2.gz	PWEINJICLRBGMP-QMMMGPOBSA-N	-2	1	361.376	-0.728	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1	ZINC000262692332	243331691	/nfs/dbraw/zinc/33/16/91/243331691.db2.gz	WIBCFVRONXAPOB-MRVPVSSYSA-N	-2	1	359.360	-0.878	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])o1	ZINC000262692334	243332188	/nfs/dbraw/zinc/33/21/88/243332188.db2.gz	WIBCFVRONXAPOB-QMMMGPOBSA-N	-2	1	359.360	-0.878	20	0		FBADML
CC(C)(CCC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000262892355	243340195	/nfs/dbraw/zinc/34/01/95/243340195.db2.gz	NYFKKYMKGTYOKW-UHFFFAOYSA-N	-2	1	361.376	-0.584	20	0		FBADML
CC(C)(CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000263020016	535037395	/nfs/dbraw/zinc/03/73/95/535037395.db2.gz	DWXZPEFGBCIJCG-UHFFFAOYSA-N	-2	1	361.376	-0.726	20	0		FBADML
C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)[C@@H]1C(=O)[O-]	ZINC000263054544	243346665	/nfs/dbraw/zinc/34/66/65/243346665.db2.gz	LOAQALSCUXRHRL-PELKAZGASA-N	-2	1	373.387	-0.632	20	0		FBADML
C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)[C@H]1C(=O)[O-]	ZINC000263054546	243344832	/nfs/dbraw/zinc/34/48/32/243344832.db2.gz	LOAQALSCUXRHRL-PRHODGIISA-N	-2	1	373.387	-0.632	20	0		FBADML
C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)[C@H]1C(=O)[O-]	ZINC000263054548	243346753	/nfs/dbraw/zinc/34/67/53/243346753.db2.gz	LOAQALSCUXRHRL-QPUJVOFHSA-N	-2	1	373.387	-0.632	20	0		FBADML
C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)[C@@H]1C(=O)[O-]	ZINC000263054550	243347083	/nfs/dbraw/zinc/34/70/83/243347083.db2.gz	LOAQALSCUXRHRL-UFBFGSQYSA-N	-2	1	373.387	-0.632	20	0		FBADML
COC(=O)CN(CC(=O)OC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000265791497	484388840	/nfs/dbraw/zinc/38/88/40/484388840.db2.gz	IQVYWVFPWWMMLB-UHFFFAOYSA-N	-2	1	364.314	-0.467	20	0		FBADML
CC(=O)N1CCN(CCNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1	ZINC000265867924	484391385	/nfs/dbraw/zinc/39/13/85/484391385.db2.gz	YGOKCVWOHLFIBP-UHFFFAOYSA-N	-2	1	374.401	-0.362	20	0		FBADML
Cc1cc(C(=O)NCCN2CCCS2(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266128653	484401167	/nfs/dbraw/zinc/40/11/67/484401167.db2.gz	JQPNEFDNCCQQIB-UHFFFAOYSA-N	-2	1	367.387	-0.490	20	0		FBADML
Cc1cc(C(=O)NCCCNS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266782584	484422795	/nfs/dbraw/zinc/42/27/95/484422795.db2.gz	CTHSOPDERLHFCT-UHFFFAOYSA-N	-2	1	355.376	-0.586	20	0		FBADML
COCCN(CC(=O)N(C)C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000266804206	484423988	/nfs/dbraw/zinc/42/39/88/484423988.db2.gz	DNIWXIJBERYBOJ-UHFFFAOYSA-N	-2	1	363.374	-0.079	20	0		FBADML
COC(=O)C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)OC	ZINC000266819145	484425331	/nfs/dbraw/zinc/42/53/31/484425331.db2.gz	KGRPTISSVPSSJF-MRVPVSSYSA-N	-2	1	364.314	-0.421	20	0		FBADML
COC(=O)C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)OC	ZINC000266819146	484425254	/nfs/dbraw/zinc/42/52/54/484425254.db2.gz	KGRPTISSVPSSJF-QMMMGPOBSA-N	-2	1	364.314	-0.421	20	0		FBADML
Cc1cc(C(=O)NCCC(=O)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266841468	484427369	/nfs/dbraw/zinc/42/73/69/484427369.db2.gz	PHEOUIODPCEWAC-UHFFFAOYSA-N	-2	1	361.358	-0.277	20	0		FBADML
Cc1cc(C(=O)NCCCN2C(=O)CNC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266842253	484426934	/nfs/dbraw/zinc/42/69/34/484426934.db2.gz	OLKGKAUIMHKTNM-UHFFFAOYSA-N	-2	1	360.330	-0.584	20	0		FBADML
CCS(=O)(=O)NCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000266850302	484426751	/nfs/dbraw/zinc/42/67/51/484426751.db2.gz	QZAVQJAXROZUJD-UHFFFAOYSA-N	-2	1	355.376	-0.586	20	0		FBADML
Cc1cc(C(=O)NCCOCCS(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266880697	484430209	/nfs/dbraw/zinc/43/02/09/484430209.db2.gz	JLROLKGSSIHLNJ-UHFFFAOYSA-N	-2	1	370.387	-0.465	20	0		FBADML
CCS(=O)(=O)NCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000266886703	484430225	/nfs/dbraw/zinc/43/02/25/484430225.db2.gz	UZPVUDAATQLLRD-UHFFFAOYSA-N	-2	1	369.403	-0.196	20	0		FBADML
Cc1cc(C(=O)NCCS(=O)(=O)NC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266899534	484429807	/nfs/dbraw/zinc/42/98/07/484429807.db2.gz	YOLSKTZVVUGHSN-UHFFFAOYSA-N	-2	1	369.403	-0.198	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000267294534	485246206	/nfs/dbraw/zinc/24/62/06/485246206.db2.gz	ARPKWLXZDJWBTE-UHFFFAOYSA-N	-2	1	367.383	-0.697	20	0		FBADML
COCCOCCS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000269160762	483450406	/nfs/dbraw/zinc/45/04/06/483450406.db2.gz	SZEDRNNJLDCGDJ-UHFFFAOYSA-N	-2	1	360.388	-0.094	20	0		FBADML
COCCN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1=O	ZINC000271195444	483538830	/nfs/dbraw/zinc/53/88/30/483538830.db2.gz	OGIPFJIIZNTCKD-UHFFFAOYSA-N	-2	1	361.358	-0.325	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(Br)o1	ZINC000274922808	483662703	/nfs/dbraw/zinc/66/27/03/483662703.db2.gz	NGOSCUOHABHPBV-BYPYZUCNSA-N	-2	1	372.149	-0.448	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(Br)o1	ZINC000274922809	483662377	/nfs/dbraw/zinc/66/23/77/483662377.db2.gz	NGOSCUOHABHPBV-SCSAIBSYSA-N	-2	1	372.149	-0.448	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)o1	ZINC000274927452	243962761	/nfs/dbraw/zinc/96/27/61/243962761.db2.gz	CINMCPAEPIKAPV-MRVPVSSYSA-N	-2	1	360.344	-0.722	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)o1	ZINC000274927454	483662406	/nfs/dbraw/zinc/66/24/06/483662406.db2.gz	CINMCPAEPIKAPV-QMMMGPOBSA-N	-2	1	360.344	-0.722	20	0		FBADML
CCS(=O)(=O)NCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000274929314	483662899	/nfs/dbraw/zinc/66/28/99/483662899.db2.gz	OPJHNXHICSZBIF-UHFFFAOYSA-N	-2	1	352.390	-0.229	20	0		FBADML
COC(=O)c1coc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000274937314	483663123	/nfs/dbraw/zinc/66/31/23/483663123.db2.gz	FQMFTMXSHOCUFW-MRVPVSSYSA-N	-2	1	360.344	-0.722	20	0		FBADML
COC(=O)c1coc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000274937316	243961981	/nfs/dbraw/zinc/96/19/81/243961981.db2.gz	FQMFTMXSHOCUFW-QMMMGPOBSA-N	-2	1	360.344	-0.722	20	0		FBADML
CCS(=O)(=O)NCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000274959526	483663930	/nfs/dbraw/zinc/66/39/30/483663930.db2.gz	UWGLODPBCQKLHM-UHFFFAOYSA-N	-2	1	352.390	-0.229	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O	ZINC000274960597	483663538	/nfs/dbraw/zinc/66/35/38/483663538.db2.gz	HREOORRHNFJVHN-SECBINFHSA-N	-2	1	361.420	-0.358	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O	ZINC000274960598	243965198	/nfs/dbraw/zinc/96/51/98/243965198.db2.gz	HREOORRHNFJVHN-VIFPVBQESA-N	-2	1	361.420	-0.358	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O	ZINC000274965153	483663499	/nfs/dbraw/zinc/66/34/99/483663499.db2.gz	JTTRMCJAFWOKSB-SECBINFHSA-N	-2	1	361.420	-0.501	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(=O)n(C)c1=O	ZINC000274965155	483663843	/nfs/dbraw/zinc/66/38/43/483663843.db2.gz	JTTRMCJAFWOKSB-VIFPVBQESA-N	-2	1	361.420	-0.501	20	0		FBADML
Cn1cnc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c1Cl	ZINC000275002598	483664883	/nfs/dbraw/zinc/66/48/83/483664883.db2.gz	OHQJLKRPNWHMRP-SSDOTTSWSA-N	-2	1	350.784	-0.715	20	0		FBADML
Cn1cnc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c1Cl	ZINC000275002601	483665132	/nfs/dbraw/zinc/66/51/32/483665132.db2.gz	OHQJLKRPNWHMRP-ZETCQYMHSA-N	-2	1	350.784	-0.715	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000275003141	483665160	/nfs/dbraw/zinc/66/51/60/483665160.db2.gz	MCRLHDVUMKXIQA-GHMZBOCLSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000275003143	483664962	/nfs/dbraw/zinc/66/49/62/483664962.db2.gz	MCRLHDVUMKXIQA-MNOVXSKESA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000275003145	483664734	/nfs/dbraw/zinc/66/47/34/483664734.db2.gz	MCRLHDVUMKXIQA-QWRGUYRKSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000275003147	483664916	/nfs/dbraw/zinc/66/49/16/483664916.db2.gz	MCRLHDVUMKXIQA-WDEREUQCSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cc1cccc([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])c1	ZINC000275009927	483665013	/nfs/dbraw/zinc/66/50/13/483665013.db2.gz	BSMDDOMRAMPADW-GFCCVEGCSA-N	-2	1	367.383	-0.503	20	0		FBADML
Cc1cccc([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])c1	ZINC000275009928	483664780	/nfs/dbraw/zinc/66/47/80/483664780.db2.gz	BSMDDOMRAMPADW-LBPRGKRZSA-N	-2	1	367.383	-0.503	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(=O)n(C)c1=O	ZINC000275020223	485277592	/nfs/dbraw/zinc/27/75/92/485277592.db2.gz	OPJQDZDHYPDQGK-SECBINFHSA-N	-2	1	361.420	-0.358	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c(=O)n(C)c1=O	ZINC000275020224	485277224	/nfs/dbraw/zinc/27/72/24/485277224.db2.gz	OPJQDZDHYPDQGK-VIFPVBQESA-N	-2	1	361.420	-0.358	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c(=O)n(C)c1=O	ZINC000275054930	485278211	/nfs/dbraw/zinc/27/82/11/485278211.db2.gz	IUHSWABVQNOADQ-UHFFFAOYSA-N	-2	1	373.431	-0.213	20	0		FBADML
Cc1ccc([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cc1	ZINC000275147288	483667484	/nfs/dbraw/zinc/66/74/84/483667484.db2.gz	XWFFNJAWSKPKGE-GFCCVEGCSA-N	-2	1	367.383	-0.503	20	0		FBADML
Cc1ccc([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cc1	ZINC000275147292	483667228	/nfs/dbraw/zinc/66/72/28/483667228.db2.gz	XWFFNJAWSKPKGE-LBPRGKRZSA-N	-2	1	367.383	-0.503	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c(=O)n(C)c1=O	ZINC000275160975	485278281	/nfs/dbraw/zinc/27/82/81/485278281.db2.gz	ALECGOHYHLHFLY-UHFFFAOYSA-N	-2	1	367.383	-0.810	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000275170162	485278544	/nfs/dbraw/zinc/27/85/44/485278544.db2.gz	BYCKDQVKAZKPSO-MGCOHNPYSA-N	-2	1	359.404	-0.747	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])o1	ZINC000275171214	483668158	/nfs/dbraw/zinc/66/81/58/483668158.db2.gz	CBQVNMCNWKQBDF-SECBINFHSA-N	-2	1	357.344	-0.226	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])o1	ZINC000275171219	483668277	/nfs/dbraw/zinc/66/82/77/483668277.db2.gz	CBQVNMCNWKQBDF-VIFPVBQESA-N	-2	1	357.344	-0.226	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])c(=O)n(C)c1=O	ZINC000275172885	485278253	/nfs/dbraw/zinc/27/82/53/485278253.db2.gz	CKDUTQKNSBCMQW-UHFFFAOYSA-N	-2	1	361.420	-0.213	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(Br)o1	ZINC000275244678	483670038	/nfs/dbraw/zinc/67/00/38/483670038.db2.gz	KPPMLNMUQGMVDF-BYPYZUCNSA-N	-2	1	372.149	-0.448	20	0		FBADML
COC(=O)c1coc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000275259396	483670046	/nfs/dbraw/zinc/67/00/46/483670046.db2.gz	MBVWVEHRDVQFSX-JTQLQIEISA-N	-2	1	357.344	-0.226	20	0		FBADML
COC(=O)c1coc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000275259400	483670068	/nfs/dbraw/zinc/67/00/68/483670068.db2.gz	MBVWVEHRDVQFSX-SNVBAGLBSA-N	-2	1	357.344	-0.226	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278591945	244139714	/nfs/dbraw/zinc/13/97/14/244139714.db2.gz	FFEJSRMJVIKADG-MRVPVSSYSA-N	-3	1	363.348	-0.427	20	0		FBADML
Cc1oc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-]	ZINC000281984225	244240215	/nfs/dbraw/zinc/24/02/15/244240215.db2.gz	VFUJVWSLJTZDGJ-UHFFFAOYSA-N	-2	1	357.344	-0.838	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000282338192	244255817	/nfs/dbraw/zinc/25/58/17/244255817.db2.gz	QXYYZPHTTVOZTG-LLVKDONJSA-N	-2	1	373.431	-0.214	20	0		FBADML
COC(=O)c1cn(CCNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nn1	ZINC000285092164	483711423	/nfs/dbraw/zinc/71/14/23/483711423.db2.gz	XLQXKEQWYYCQEJ-UHFFFAOYSA-N	-2	1	373.329	-0.447	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c(Br)n1C	ZINC000287129268	484956175	/nfs/dbraw/zinc/95/61/75/484956175.db2.gz	GSEPZFFJHUEUNK-XINAWCOVSA-N	-2	1	356.198	-0.397	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c(Br)n1C	ZINC000287185999	484958817	/nfs/dbraw/zinc/95/88/17/484958817.db2.gz	KONCNIBAXIUTOL-LURJTMIESA-N	-2	1	356.198	-0.395	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(Br)n1C	ZINC000287186002	484958820	/nfs/dbraw/zinc/95/88/20/484958820.db2.gz	KONCNIBAXIUTOL-ZCFIWIBFSA-N	-2	1	356.198	-0.395	20	0		FBADML
Cc1nc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(Br)n1C	ZINC000287195834	484958136	/nfs/dbraw/zinc/95/81/36/484958136.db2.gz	LJFZWWXLWHKSAJ-LURJTMIESA-N	-2	1	356.198	-0.395	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c(Br)n1C	ZINC000287245360	484960600	/nfs/dbraw/zinc/96/06/00/484960600.db2.gz	PCAWUKKRJAAAIK-RXMQYKEDSA-N	-2	1	369.197	-0.902	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c(Br)n1C	ZINC000287245366	484959966	/nfs/dbraw/zinc/95/99/66/484959966.db2.gz	PCAWUKKRJAAAIK-YFKPBYRVSA-N	-2	1	369.197	-0.902	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c(Br)n1C	ZINC000287349759	484968512	/nfs/dbraw/zinc/96/85/12/484968512.db2.gz	XHEMBKDCMPCTQP-RXMQYKEDSA-N	-3	1	370.181	-0.303	20	0		FBADML
Cc1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c(Br)n1C	ZINC000287349765	484968062	/nfs/dbraw/zinc/96/80/62/484968062.db2.gz	XHEMBKDCMPCTQP-YFKPBYRVSA-N	-3	1	370.181	-0.303	20	0		FBADML
Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000288909714	483778823	/nfs/dbraw/zinc/77/88/23/483778823.db2.gz	KMTWYYLALUHXRK-IONNQARKSA-N	-2	1	352.372	-0.093	20	0		FBADML
Cc1nc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(Br)n1C	ZINC000290089519	244382421	/nfs/dbraw/zinc/38/24/21/244382421.db2.gz	HSCDHPPZQJJYSF-UHFFFAOYSA-N	-2	1	366.197	-0.312	20	0		FBADML
Cc1cc(C(=O)NCCS(=O)(=O)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000291592877	483804258	/nfs/dbraw/zinc/80/42/58/483804258.db2.gz	FJOPPFYNNYEUCW-UHFFFAOYSA-N	-2	1	355.376	-0.634	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000292483081	485330215	/nfs/dbraw/zinc/33/02/15/485330215.db2.gz	QWOFRCFIEJEHFS-ZJUUUORDSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O	ZINC000297358307	483831988	/nfs/dbraw/zinc/83/19/88/483831988.db2.gz	ZTQVBWKJFNWBFQ-GHMZBOCLSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c(=O)n(C)c1=O	ZINC000297358310	483832314	/nfs/dbraw/zinc/83/23/14/483832314.db2.gz	ZTQVBWKJFNWBFQ-MNOVXSKESA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O	ZINC000297358313	483831936	/nfs/dbraw/zinc/83/19/36/483831936.db2.gz	ZTQVBWKJFNWBFQ-QWRGUYRKSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c(=O)n(C)c1=O	ZINC000297358317	483832329	/nfs/dbraw/zinc/83/23/29/483832329.db2.gz	ZTQVBWKJFNWBFQ-WDEREUQCSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c(=O)n(C)c1=O	ZINC000298156287	483845336	/nfs/dbraw/zinc/84/53/36/483845336.db2.gz	DNDKAACVUIFAFV-SECBINFHSA-N	-2	1	373.412	-0.360	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c(=O)n(C)c1=O	ZINC000298156291	483845494	/nfs/dbraw/zinc/84/54/94/483845494.db2.gz	DNDKAACVUIFAFV-VIFPVBQESA-N	-2	1	373.412	-0.360	20	0		FBADML
COC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-]	ZINC000312024954	658656489	/nfs/dbraw/zinc/65/64/89/658656489.db2.gz	VZVUOGGFSGEWSQ-LURJTMIESA-N	-2	1	356.198	-0.131	20	0		FBADML
COC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-]	ZINC000312024956	658656771	/nfs/dbraw/zinc/65/67/71/658656771.db2.gz	VZVUOGGFSGEWSQ-ZCFIWIBFSA-N	-2	1	356.198	-0.131	20	0		FBADML
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000314269543	485276081	/nfs/dbraw/zinc/27/60/81/485276081.db2.gz	NZZYKVXPCTYQSD-UHFFFAOYSA-N	-2	1	351.724	-0.273	20	0		FBADML
COCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000322735969	659982095	/nfs/dbraw/zinc/98/20/95/659982095.db2.gz	YYWRVCMALIQHIJ-UHFFFAOYSA-N	-2	1	352.315	-0.296	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c(=O)n(C)c1=O	ZINC000322934647	484241103	/nfs/dbraw/zinc/24/11/03/484241103.db2.gz	PDONNBKFROHHSX-SECBINFHSA-N	-2	1	359.385	-0.750	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c(=O)n(C)c1=O	ZINC000322934648	484240876	/nfs/dbraw/zinc/24/08/76/484240876.db2.gz	PDONNBKFROHHSX-VIFPVBQESA-N	-2	1	359.385	-0.750	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(=O)n(C)c1=O	ZINC000323892500	483922227	/nfs/dbraw/zinc/92/22/27/483922227.db2.gz	WYNNSFPFLKOOAO-UHFFFAOYSA-N	-2	1	357.319	-0.278	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000323913177	484114926	/nfs/dbraw/zinc/11/49/26/484114926.db2.gz	SIMVGCSMLPIIEV-LLVKDONJSA-N	-2	1	353.356	-0.812	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000323913178	484114688	/nfs/dbraw/zinc/11/46/88/484114688.db2.gz	SIMVGCSMLPIIEV-NSHDSACASA-N	-2	1	353.356	-0.812	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000324200729	484308282	/nfs/dbraw/zinc/30/82/82/484308282.db2.gz	SRHWOXPABUQGDP-UHFFFAOYSA-N	-2	1	353.356	-0.739	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O	ZINC000324455854	601597702	/nfs/dbraw/zinc/59/77/02/601597702.db2.gz	FLKNRKUQAXYIEM-LLVKDONJSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c(=O)n(C)c1=O	ZINC000324455855	601597670	/nfs/dbraw/zinc/59/76/70/601597670.db2.gz	FLKNRKUQAXYIEM-NSHDSACASA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000324639717	601993501	/nfs/dbraw/zinc/99/35/01/601993501.db2.gz	UFADRCHIEDKZQY-UHFFFAOYSA-N	-2	1	353.356	-0.739	20	0		FBADML
Cc1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C(=O)[O-]	ZINC000324793182	485332847	/nfs/dbraw/zinc/33/28/47/485332847.db2.gz	KRSOUZJWUDBBSO-UHFFFAOYSA-N	-2	1	353.356	-0.109	20	0		FBADML
CC(C)C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC(=O)[O-]	ZINC000324963672	485332963	/nfs/dbraw/zinc/33/29/63/485332963.db2.gz	JGOXOFPEZAQJTB-JTQLQIEISA-N	-2	1	361.420	-0.501	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000325405740	484809807	/nfs/dbraw/zinc/80/98/07/484809807.db2.gz	QWOFRCFIEJEHFS-VHSXEESVSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(=O)n(C)c1=O	ZINC000325482852	484165334	/nfs/dbraw/zinc/16/53/34/484165334.db2.gz	LNXPWEAPTVZUOD-UHFFFAOYSA-N	-2	1	361.420	-0.357	20	0		FBADML
C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000325634349	485336220	/nfs/dbraw/zinc/33/62/20/485336220.db2.gz	VDNGNQYDIFOSLZ-NXEZZACHSA-N	-2	1	361.420	-0.358	20	0		FBADML
C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000325634350	485336084	/nfs/dbraw/zinc/33/60/84/485336084.db2.gz	VDNGNQYDIFOSLZ-UWVGGRQHSA-N	-2	1	361.420	-0.358	20	0		FBADML
C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000325634351	485336499	/nfs/dbraw/zinc/33/64/99/485336499.db2.gz	VDNGNQYDIFOSLZ-VHSXEESVSA-N	-2	1	361.420	-0.358	20	0		FBADML
C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000325634352	485336016	/nfs/dbraw/zinc/33/60/16/485336016.db2.gz	VDNGNQYDIFOSLZ-ZJUUUORDSA-N	-2	1	361.420	-0.358	20	0		FBADML
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(C(=O)[O-])cs1	ZINC000325734990	484923426	/nfs/dbraw/zinc/92/34/26/484923426.db2.gz	BJIKNOXGOUJPAJ-LURJTMIESA-N	-2	1	374.400	-0.722	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c(=O)n(C)c1=O	ZINC000325788733	601265927	/nfs/dbraw/zinc/26/59/27/601265927.db2.gz	WCGSKJOOEIXFMV-UHFFFAOYSA-N	-2	1	359.404	-0.460	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(=O)n(C)c1=O	ZINC000325967361	483905114	/nfs/dbraw/zinc/90/51/14/483905114.db2.gz	SXHYRIHYYTUIHN-UHFFFAOYSA-N	-2	1	357.319	-0.278	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000326652421	601188018	/nfs/dbraw/zinc/18/80/18/601188018.db2.gz	BCWRONODGOJTRJ-LLVKDONJSA-N	-2	1	367.383	-0.422	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000326652422	601188014	/nfs/dbraw/zinc/18/80/14/601188014.db2.gz	BCWRONODGOJTRJ-NSHDSACASA-N	-2	1	367.383	-0.422	20	0		FBADML
CCC1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(C(=O)[O-])CC1	ZINC000327297143	601260079	/nfs/dbraw/zinc/26/00/79/601260079.db2.gz	PCIYVSOQGASXDC-UHFFFAOYSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000327489964	483892041	/nfs/dbraw/zinc/89/20/41/483892041.db2.gz	NBIXPBBPMUNJQX-LLVKDONJSA-N	-2	1	367.383	-0.769	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000327489966	483891796	/nfs/dbraw/zinc/89/17/96/483891796.db2.gz	NBIXPBBPMUNJQX-NSHDSACASA-N	-2	1	367.383	-0.769	20	0		FBADML
CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n1	ZINC000349472600	484161818	/nfs/dbraw/zinc/16/18/18/484161818.db2.gz	WVGIUXOCBHSOQA-UHFFFAOYSA-N	-2	1	371.466	-0.375	20	0		FBADML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000363887923	245141563	/nfs/dbraw/zinc/14/15/63/245141563.db2.gz	MNNYYLMMERZADD-SFYZADRCSA-N	-2	1	350.301	-0.197	20	0		FBADML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000363887926	245141784	/nfs/dbraw/zinc/14/17/84/245141784.db2.gz	MNNYYLMMERZADD-YUMQZZPRSA-N	-2	1	350.301	-0.197	20	0		FBADML
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000367102328	245319199	/nfs/dbraw/zinc/31/91/99/245319199.db2.gz	VRPYVPVPKUXUEQ-LLVKDONJSA-N	-2	1	373.398	-0.202	20	0		FBADML
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000367102331	245318961	/nfs/dbraw/zinc/31/89/61/245318961.db2.gz	VRPYVPVPKUXUEQ-NSHDSACASA-N	-2	1	373.398	-0.202	20	0		FBADML
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(C(=O)[O-])COC2)c1F	ZINC000372286714	484135882	/nfs/dbraw/zinc/13/58/82/484135882.db2.gz	BUCUKBOBDNGRPU-UHFFFAOYSA-N	-2	1	351.283	-0.117	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c(=O)n(C)c1=O	ZINC000388248147	483504106	/nfs/dbraw/zinc/50/41/06/483504106.db2.gz	SIOWRZCACOGXHZ-NXEZZACHSA-N	-2	1	359.404	-0.604	20	0		FBADML
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000389082847	846841860	/nfs/dbraw/zinc/84/18/60/846841860.db2.gz	OXEUJNCEDLEZRE-UHFFFAOYSA-N	-2	1	350.374	-0.755	20	0		FBADML
CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000389658017	842205424	/nfs/dbraw/zinc/20/54/24/842205424.db2.gz	SNDKLQOIDOZBMF-UHFFFAOYSA-N	-2	1	358.344	-0.510	20	0		FBADML
Cc1nc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)sc1C(=O)[O-]	ZINC000391715910	484206131	/nfs/dbraw/zinc/20/61/31/484206131.db2.gz	GQZUPFMVSLNPLB-UHFFFAOYSA-N	-2	1	374.400	-0.974	20	0		FBADML
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cn1	ZINC000392259356	600676286	/nfs/dbraw/zinc/67/62/86/600676286.db2.gz	DRSVEHZRZCXSEC-UHFFFAOYSA-N	-2	1	367.322	-0.117	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O	ZINC000392507340	484240240	/nfs/dbraw/zinc/24/02/40/484240240.db2.gz	IVWXHMCMSIQPKZ-HZMBPMFUSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O	ZINC000392507342	484240054	/nfs/dbraw/zinc/24/00/54/484240054.db2.gz	IVWXHMCMSIQPKZ-IINYFYTJSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(=O)n(C)c1=O	ZINC000392507344	484241062	/nfs/dbraw/zinc/24/10/62/484241062.db2.gz	IVWXHMCMSIQPKZ-QMTHXVAHSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c(=O)n(C)c1=O	ZINC000392507345	484240389	/nfs/dbraw/zinc/24/03/89/484240389.db2.gz	IVWXHMCMSIQPKZ-YGRLFVJLSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c(=O)n(C)c1=O	ZINC000392619206	484261310	/nfs/dbraw/zinc/26/13/10/484261310.db2.gz	QPQOXOHSZSGOOX-UHFFFAOYSA-N	-2	1	367.383	-0.697	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000393125407	484468864	/nfs/dbraw/zinc/46/88/64/484468864.db2.gz	SBVFOMBPRVNYTG-UHFFFAOYSA-N	-2	1	367.383	-0.697	20	0		FBADML
Cc1nc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(Br)n1C	ZINC000394115928	842118978	/nfs/dbraw/zinc/11/89/78/842118978.db2.gz	RUUJZKYADOFTMS-UHFFFAOYSA-N	-2	1	356.198	-0.129	20	0		FBADML
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)c1	ZINC000394801786	842337020	/nfs/dbraw/zinc/33/70/20/842337020.db2.gz	UINJSQIAMCLRAD-JTQLQIEISA-N	-2	1	361.370	-0.059	20	0		FBADML
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)c1	ZINC000394801793	679546564	/nfs/dbraw/zinc/54/65/64/679546564.db2.gz	UINJSQIAMCLRAD-SNVBAGLBSA-N	-2	1	361.370	-0.059	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417445789	484541668	/nfs/dbraw/zinc/54/16/68/484541668.db2.gz	IGZJSSNCAGPZFH-BDAKNGLRSA-N	-2	1	360.392	-0.446	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417445790	484541924	/nfs/dbraw/zinc/54/19/24/484541924.db2.gz	IGZJSSNCAGPZFH-DTWKUNHWSA-N	-2	1	360.392	-0.446	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417445791	484542079	/nfs/dbraw/zinc/54/20/79/484542079.db2.gz	IGZJSSNCAGPZFH-IUCAKERBSA-N	-2	1	360.392	-0.446	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417445792	484541436	/nfs/dbraw/zinc/54/14/36/484541436.db2.gz	IGZJSSNCAGPZFH-RKDXNWHRSA-N	-2	1	360.392	-0.446	20	0		FBADML
Cc1cc(C(=O)NCCCn2cc(CO)nn2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000426694938	485339913	/nfs/dbraw/zinc/33/99/13/485339913.db2.gz	GJNDNJSRDLEUFN-UHFFFAOYSA-N	-2	1	359.346	-0.352	20	0		FBADML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(Cn3cccn3)on2)s1	ZINC000432411336	484469064	/nfs/dbraw/zinc/46/90/64/484469064.db2.gz	XJBXXQDAUOEOOH-UHFFFAOYSA-N	-2	1	369.388	0.395	20	0		FBADML
COC(=O)Cn1cc(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nn1	ZINC000441624685	484197838	/nfs/dbraw/zinc/19/78/38/484197838.db2.gz	RUYBPWSZWJQQNY-UHFFFAOYSA-N	-2	1	373.329	-0.561	20	0		FBADML
CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000442754141	484229172	/nfs/dbraw/zinc/22/91/72/484229172.db2.gz	WACSHKUFFSKVLG-MRVPVSSYSA-N	-2	1	361.376	-0.632	20	0		FBADML
CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000442754144	484230275	/nfs/dbraw/zinc/23/02/75/484230275.db2.gz	WACSHKUFFSKVLG-QMMMGPOBSA-N	-2	1	361.376	-0.632	20	0		FBADML
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000444485966	484288766	/nfs/dbraw/zinc/28/87/66/484288766.db2.gz	PSSBDVUPISCANO-GXSJLCMTSA-N	-2	1	362.342	-0.117	20	0		FBADML
COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000444485967	484288717	/nfs/dbraw/zinc/28/87/17/484288717.db2.gz	PSSBDVUPISCANO-KOLCDFICSA-N	-2	1	362.342	-0.117	20	0		FBADML
COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000444485968	484288743	/nfs/dbraw/zinc/28/87/43/484288743.db2.gz	PSSBDVUPISCANO-MWLCHTKSSA-N	-2	1	362.342	-0.117	20	0		FBADML
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000444485969	484289002	/nfs/dbraw/zinc/28/90/02/484289002.db2.gz	PSSBDVUPISCANO-ONGXEEELSA-N	-2	1	362.342	-0.117	20	0		FBADML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000461457921	484550205	/nfs/dbraw/zinc/55/02/05/484550205.db2.gz	URRLYVIPCPAKEZ-UHFFFAOYSA-N	-2	1	354.344	-0.648	20	0		FBADML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC000461461276	484551679	/nfs/dbraw/zinc/55/16/79/484551679.db2.gz	STARDNKMWYXBHS-UHFFFAOYSA-N	-2	1	359.389	-0.145	20	0		FBADML
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC(C)(C)c2nn[n-]n2)c1	ZINC000467784352	484663996	/nfs/dbraw/zinc/66/39/96/484663996.db2.gz	FLQJZIPYHDKPPW-UHFFFAOYSA-N	-2	1	354.392	-0.179	20	0		FBADML
Cc1cc(C(=O)N(C)CC(=O)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000468148471	484672642	/nfs/dbraw/zinc/67/26/42/484672642.db2.gz	HWGJMZADQVUUST-UHFFFAOYSA-N	-2	1	361.358	-0.325	20	0		FBADML
Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000468464259	484683945	/nfs/dbraw/zinc/68/39/45/484683945.db2.gz	XQZGXDGLLLNXMB-UHFFFAOYSA-N	-2	1	361.358	-0.244	20	0		FBADML
CCOC(=O)CN(CC(N)=O)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000468742449	484693998	/nfs/dbraw/zinc/69/39/98/484693998.db2.gz	HFGGJVOAZMMPAO-UHFFFAOYSA-N	-2	1	363.330	-0.765	20	0		FBADML
Cc1cc(C(=O)NCCNC(=O)c2cnccn2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000469390483	484709544	/nfs/dbraw/zinc/70/95/44/484709544.db2.gz	HNYYPDIBEXZLRE-UHFFFAOYSA-N	-2	1	369.341	-0.306	20	0		FBADML
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(c3nn[n-]n3)CC2)c1	ZINC000477037208	484887982	/nfs/dbraw/zinc/88/79/82/484887982.db2.gz	VGCBOUBRBLHUAL-UHFFFAOYSA-N	-2	1	352.376	-0.425	20	0		FBADML
Cc1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000477378012	484896066	/nfs/dbraw/zinc/89/60/66/484896066.db2.gz	HACMLBVJTVOCCE-UHFFFAOYSA-N	-2	1	374.401	-0.234	20	0		FBADML
CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000478604727	484927975	/nfs/dbraw/zinc/92/79/75/484927975.db2.gz	ZTKDPMDVKRTIGN-HNNXBMFYSA-N	-2	1	350.331	-0.212	20	0		FBADML
CCOC(=O)[C@](C)(O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000478604728	484927264	/nfs/dbraw/zinc/92/72/64/484927264.db2.gz	ZTKDPMDVKRTIGN-OAHLLOKOSA-N	-2	1	350.331	-0.212	20	0		FBADML
COC(=O)CN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1	ZINC000480411951	484967615	/nfs/dbraw/zinc/96/76/15/484967615.db2.gz	MSWLXWZTLGPHMZ-UHFFFAOYSA-N	-2	1	361.358	-0.325	20	0		FBADML
Cc1cc(C(=O)N2CC(OCC(=O)N(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000482246672	485012600	/nfs/dbraw/zinc/01/26/00/485012600.db2.gz	KOCVFWANXJWOBO-UHFFFAOYSA-N	-2	1	361.358	-0.326	20	0		FBADML
CCOCCOC[C@@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000483011261	485026672	/nfs/dbraw/zinc/02/66/72/485026672.db2.gz	HWTUFFSQVWQCRD-JTQLQIEISA-N	-2	1	366.374	-0.112	20	0		FBADML
CCOCCOC[C@H](O)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000483011269	485026838	/nfs/dbraw/zinc/02/68/38/485026838.db2.gz	HWTUFFSQVWQCRD-SNVBAGLBSA-N	-2	1	366.374	-0.112	20	0		FBADML
Cc1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000494268224	485208654	/nfs/dbraw/zinc/20/86/54/485208654.db2.gz	NAQKJNPRWMBZOT-UHFFFAOYSA-N	-2	1	367.387	-0.634	20	0		FBADML
COCCn1ccc(=NC([O-])=CC=C(O)Nc2ccc3[n-]c(=O)nc-3[nH]2)[nH]1	ZINC000497861482	483550904	/nfs/dbraw/zinc/55/09/04/483550904.db2.gz	XLUCAVGTICHDRB-UHFFFAOYSA-N	-2	1	373.373	-0.292	20	0		FBADML
Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000498774026	485242094	/nfs/dbraw/zinc/24/20/94/485242094.db2.gz	CVYNSAKRVNICJP-SECBINFHSA-N	-2	1	361.358	-0.590	20	0		FBADML
Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000498774027	485242178	/nfs/dbraw/zinc/24/21/78/485242178.db2.gz	CVYNSAKRVNICJP-VIFPVBQESA-N	-2	1	361.358	-0.590	20	0		FBADML
Cc1cc(C(=O)NCCCCS(N)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000504464398	483979502	/nfs/dbraw/zinc/97/95/02/483979502.db2.gz	ISMXTUJSSCDYPN-UHFFFAOYSA-N	-2	1	355.376	-0.457	20	0		FBADML
O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000507867901	484066724	/nfs/dbraw/zinc/06/67/24/484066724.db2.gz	FHOSHJDIUCNTKB-UHFFFAOYSA-N	-2	1	355.314	-0.163	20	0		FBADML
Cc1cc(C(=O)NCCNC(=O)c2ccn[nH]2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000509394969	484103275	/nfs/dbraw/zinc/10/32/75/484103275.db2.gz	RNRQJFXNENOQNY-UHFFFAOYSA-N	-2	1	357.330	-0.373	20	0		FBADML
CS(=O)(=O)[N-]c1nnc(NC(=O)CNC(=O)c2ncccc2[O-])s1	ZINC000509987695	484118746	/nfs/dbraw/zinc/11/87/46/484118746.db2.gz	AMPSOSAFWUMYKL-UHFFFAOYSA-N	-2	1	372.388	-0.621	20	0		FBADML
Cc1cc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000512161080	484177639	/nfs/dbraw/zinc/17/76/39/484177639.db2.gz	CYAGGMFNVIPJNE-MRVPVSSYSA-N	-2	1	368.371	-0.712	20	0		FBADML
Cc1cc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000512161081	484178105	/nfs/dbraw/zinc/17/81/05/484178105.db2.gz	CYAGGMFNVIPJNE-QMMMGPOBSA-N	-2	1	368.371	-0.712	20	0		FBADML
Cc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)[O-]	ZINC000516001749	485310460	/nfs/dbraw/zinc/31/04/60/485310460.db2.gz	NVJVPLATHMEEBH-UHFFFAOYSA-N	-2	1	367.383	-0.431	20	0		FBADML
Cn1nnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)n1	ZINC000519073164	484142176	/nfs/dbraw/zinc/14/21/76/484142176.db2.gz	ZJVKRUCJEFNQRZ-UHFFFAOYSA-N	-2	1	361.767	-0.195	20	0		FBADML
Cc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000525332624	484404495	/nfs/dbraw/zinc/40/44/95/484404495.db2.gz	YSKILXUBMUJHFR-SECBINFHSA-N	-2	1	361.358	-0.278	20	0		FBADML
Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000525332625	484404712	/nfs/dbraw/zinc/40/47/12/484404712.db2.gz	YSKILXUBMUJHFR-VIFPVBQESA-N	-2	1	361.358	-0.278	20	0		FBADML
CNC(=O)CN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1	ZINC000530775888	483525175	/nfs/dbraw/zinc/52/51/75/483525175.db2.gz	UAQYNOMGRCZZGE-UHFFFAOYSA-N	-2	1	360.374	-0.752	20	0		FBADML
Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000530810461	483536836	/nfs/dbraw/zinc/53/68/36/483536836.db2.gz	QQIARWFRKWEQFM-UHFFFAOYSA-N	-2	1	367.387	-0.538	20	0		FBADML
Cc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000531294888	483698907	/nfs/dbraw/zinc/69/89/07/483698907.db2.gz	FWRLCTQSIKSGQM-SECBINFHSA-N	-2	1	357.326	-0.236	20	0		FBADML
Cc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000531294890	483698725	/nfs/dbraw/zinc/69/87/25/483698725.db2.gz	FWRLCTQSIKSGQM-VIFPVBQESA-N	-2	1	357.326	-0.236	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)o1	ZINC000532862837	484501265	/nfs/dbraw/zinc/50/12/65/484501265.db2.gz	ZIMUJPXDFFDWMP-UHFFFAOYSA-N	-2	1	359.360	-0.830	20	0		FBADML
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000547546618	484766092	/nfs/dbraw/zinc/76/60/92/484766092.db2.gz	IUHLBHRUYQHBHJ-UHFFFAOYSA-N	-2	1	351.724	-0.273	20	0		FBADML
NC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547555052	484767508	/nfs/dbraw/zinc/76/75/08/484767508.db2.gz	ZQMHZEHNTPLEQA-LURJTMIESA-N	-2	1	351.724	-0.145	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000547566094	484768706	/nfs/dbraw/zinc/76/87/06/484768706.db2.gz	UPUWWRUETBCXCQ-JTQLQIEISA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000547566095	484768516	/nfs/dbraw/zinc/76/85/16/484768516.db2.gz	UPUWWRUETBCXCQ-SNVBAGLBSA-N	-2	1	359.404	-0.604	20	0		FBADML
C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1	ZINC000547567879	484768849	/nfs/dbraw/zinc/76/88/49/484768849.db2.gz	JNNKGLXVYIOFQT-BMIGLBTASA-N	-2	1	373.431	-0.357	20	0		FBADML
C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1	ZINC000547567881	484768801	/nfs/dbraw/zinc/76/88/01/484768801.db2.gz	JNNKGLXVYIOFQT-BONVTDFDSA-N	-2	1	373.431	-0.357	20	0		FBADML
C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1	ZINC000547567882	484769032	/nfs/dbraw/zinc/76/90/32/484769032.db2.gz	JNNKGLXVYIOFQT-MEBBXXQBSA-N	-2	1	373.431	-0.357	20	0		FBADML
C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)(CC(=O)[O-])C1	ZINC000547567883	484769048	/nfs/dbraw/zinc/76/90/48/484769048.db2.gz	JNNKGLXVYIOFQT-ZUZCIYMTSA-N	-2	1	373.431	-0.357	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCC(=O)[O-])c(F)c1	ZINC000547608182	484771278	/nfs/dbraw/zinc/77/12/78/484771278.db2.gz	SIPVNLIPTKYKPF-UHFFFAOYSA-N	-2	1	370.380	-0.423	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(F)c1	ZINC000547868946	484780957	/nfs/dbraw/zinc/78/09/57/484780957.db2.gz	BCCFIFBFMFWIKQ-VIFPVBQESA-N	-2	1	370.380	-0.689	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1	ZINC000547874731	484780849	/nfs/dbraw/zinc/78/08/49/484780849.db2.gz	LPOOMGSSXZBBAY-SECBINFHSA-N	-2	1	357.348	-0.576	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1	ZINC000547874732	484781428	/nfs/dbraw/zinc/78/14/28/484781428.db2.gz	LPOOMGSSXZBBAY-VIFPVBQESA-N	-2	1	357.348	-0.576	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])c(F)c1	ZINC000547875529	484782304	/nfs/dbraw/zinc/78/23/04/484782304.db2.gz	MVVVLSPHQMSZFE-VIFPVBQESA-N	-2	1	370.380	-0.689	20	0		FBADML
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000547876085	484782049	/nfs/dbraw/zinc/78/20/49/484782049.db2.gz	JOLUTZHDBXDTCP-LDWIPMOCSA-N	-2	1	370.380	-0.691	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)cc2)c(=O)n(C)c1=O	ZINC000547894438	484783412	/nfs/dbraw/zinc/78/34/12/484783412.db2.gz	WEJQOZUBGXVJCB-NSHDSACASA-N	-2	1	371.346	-0.673	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c(F)c1	ZINC000547897648	484783036	/nfs/dbraw/zinc/78/30/36/484783036.db2.gz	WTLGUNMMSJMBHO-UHFFFAOYSA-N	-2	1	352.365	-0.098	20	0		FBADML
CCOC(=O)c1ccc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)o1	ZINC000547900575	484783215	/nfs/dbraw/zinc/78/32/15/484783215.db2.gz	WPGVMGSFQWJYCN-SECBINFHSA-N	-2	1	374.371	-0.332	20	0		FBADML
CCOC(=O)c1ccc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)o1	ZINC000547900581	484783780	/nfs/dbraw/zinc/78/37/80/484783780.db2.gz	WPGVMGSFQWJYCN-VIFPVBQESA-N	-2	1	374.371	-0.332	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2(C)CCCCC2)c(=O)n(C)c1=O	ZINC000548030656	484789336	/nfs/dbraw/zinc/78/93/36/484789336.db2.gz	UESNVOZBNPQCJS-LLVKDONJSA-N	-2	1	373.431	-0.214	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2(C)CCCCC2)c(=O)n(C)c1=O	ZINC000548030657	484790050	/nfs/dbraw/zinc/79/00/50/484790050.db2.gz	UESNVOZBNPQCJS-NSHDSACASA-N	-2	1	373.431	-0.214	20	0		FBADML
COc1cc(=NC([O-])=CC=C(O)Nc2ccc3[n-]c(=O)nc-3[nH]2)[nH]n1C	ZINC000548143986	484794808	/nfs/dbraw/zinc/79/48/08/484794808.db2.gz	GHBQZQQHHNNXLJ-UHFFFAOYSA-N	-2	1	359.346	-0.393	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c(=O)n(C)c1=O	ZINC000548197115	484796175	/nfs/dbraw/zinc/79/61/75/484796175.db2.gz	UEQTYMOUJCWNGJ-LLVKDONJSA-N	-2	1	371.346	-0.673	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c(=O)n(C)c1=O	ZINC000548197116	484796043	/nfs/dbraw/zinc/79/60/43/484796043.db2.gz	UEQTYMOUJCWNGJ-NSHDSACASA-N	-2	1	371.346	-0.673	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)C(=O)[O-]	ZINC000548201403	484795753	/nfs/dbraw/zinc/79/57/53/484795753.db2.gz	NNFXEWLBHSMYMI-PSASIEDQSA-N	-2	1	361.376	-0.256	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)C(=O)[O-]	ZINC000548201404	484796163	/nfs/dbraw/zinc/79/61/63/484796163.db2.gz	NNFXEWLBHSMYMI-SCZZXKLOSA-N	-2	1	361.376	-0.256	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)C(=O)[O-]	ZINC000548201405	484795931	/nfs/dbraw/zinc/79/59/31/484795931.db2.gz	NNFXEWLBHSMYMI-WCBMZHEXSA-N	-2	1	361.376	-0.256	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)C(=O)[O-]	ZINC000548201406	484796393	/nfs/dbraw/zinc/79/63/93/484796393.db2.gz	NNFXEWLBHSMYMI-WPRPVWTQSA-N	-2	1	361.376	-0.256	20	0		FBADML
CO[C@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000548223530	484797224	/nfs/dbraw/zinc/79/72/24/484797224.db2.gz	FVIATGIBXXNTIE-SECBINFHSA-N	-2	1	370.380	-0.425	20	0		FBADML
CO[C@@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000548223531	484797707	/nfs/dbraw/zinc/79/77/07/484797707.db2.gz	FVIATGIBXXNTIE-VIFPVBQESA-N	-2	1	370.380	-0.425	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)c(=O)n(C)c1=O	ZINC000548234417	484798310	/nfs/dbraw/zinc/79/83/10/484798310.db2.gz	AYAFDMMHKLPEDZ-LLVKDONJSA-N	-2	1	371.346	-0.673	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)c(=O)n(C)c1=O	ZINC000548234418	484798894	/nfs/dbraw/zinc/79/88/94/484798894.db2.gz	AYAFDMMHKLPEDZ-NSHDSACASA-N	-2	1	371.346	-0.673	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c(=O)n(C)c1=O	ZINC000548262120	484801273	/nfs/dbraw/zinc/80/12/73/484801273.db2.gz	ZPJGEMDXZGUTOO-SECBINFHSA-N	-2	1	359.385	-0.750	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)c(=O)n(C)c1=O	ZINC000548262128	484800981	/nfs/dbraw/zinc/80/09/81/484800981.db2.gz	ZPJGEMDXZGUTOO-VIFPVBQESA-N	-2	1	359.385	-0.750	20	0		FBADML
COC(=O)c1ncsc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262533	484800547	/nfs/dbraw/zinc/80/05/47/484800547.db2.gz	IVEDNTZPUIQXAQ-LLVKDONJSA-N	-2	1	366.373	-0.226	20	0		FBADML
COC(=O)c1ncsc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262538	484801149	/nfs/dbraw/zinc/80/11/49/484801149.db2.gz	IVEDNTZPUIQXAQ-NSHDSACASA-N	-2	1	366.373	-0.226	20	0		FBADML
CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)o1	ZINC000548566784	484814769	/nfs/dbraw/zinc/81/47/69/484814769.db2.gz	OYBZGPBYXVDOHI-UHFFFAOYSA-N	-2	1	358.332	-0.389	20	0		FBADML
CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000548594592	484817539	/nfs/dbraw/zinc/81/75/39/484817539.db2.gz	UJMBMTQEEUOYAM-NXEZZACHSA-N	-2	1	361.420	-0.358	20	0		FBADML
CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000548594597	484817636	/nfs/dbraw/zinc/81/76/36/484817636.db2.gz	UJMBMTQEEUOYAM-UWVGGRQHSA-N	-2	1	361.420	-0.358	20	0		FBADML
CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000548594599	484817095	/nfs/dbraw/zinc/81/70/95/484817095.db2.gz	UJMBMTQEEUOYAM-VHSXEESVSA-N	-2	1	361.420	-0.358	20	0		FBADML
CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000548594600	484817409	/nfs/dbraw/zinc/81/74/09/484817409.db2.gz	UJMBMTQEEUOYAM-ZJUUUORDSA-N	-2	1	361.420	-0.358	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)c(=O)n(C)c1=O	ZINC000551914976	484962681	/nfs/dbraw/zinc/96/26/81/484962681.db2.gz	DWKJKXIUNCJPKM-AWEZNQCLSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)c(=O)n(C)c1=O	ZINC000551914977	484962747	/nfs/dbraw/zinc/96/27/47/484962747.db2.gz	DWKJKXIUNCJPKM-CQSZACIVSA-N	-2	1	359.404	-0.604	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c(=O)n(C)c1=O	ZINC000551995815	484968163	/nfs/dbraw/zinc/96/81/63/484968163.db2.gz	PKKRSRDSQNQZED-LURJTMIESA-N	-2	1	373.309	-0.985	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c(=O)n(C)c1=O	ZINC000551995816	484967981	/nfs/dbraw/zinc/96/79/81/484967981.db2.gz	PKKRSRDSQNQZED-ZCFIWIBFSA-N	-2	1	373.309	-0.985	20	0		FBADML
COC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000563614750	484152949	/nfs/dbraw/zinc/15/29/49/484152949.db2.gz	VYNLNBLQKQJALN-SECBINFHSA-N	-2	1	370.380	-0.425	20	0		FBADML
COC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000563614751	484152922	/nfs/dbraw/zinc/15/29/22/484152922.db2.gz	VYNLNBLQKQJALN-VIFPVBQESA-N	-2	1	370.380	-0.425	20	0		FBADML
CCOC(=O)c1cn[n-]c1S(=O)(=O)[N-]c1ccncc1C(=O)OC	ZINC000564136409	484929225	/nfs/dbraw/zinc/92/92/25/484929225.db2.gz	FGSZUNLEIYGYEP-UHFFFAOYSA-N	-2	1	354.344	-0.009	20	0		FBADML
CC[C@@H](NC(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)C(=O)[O-]	ZINC000564730349	485155316	/nfs/dbraw/zinc/15/53/16/485155316.db2.gz	ZCFBXXCPNWXQEK-SECBINFHSA-N	-2	1	373.387	-0.015	20	0		FBADML
COc1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1[N-]S(C)(=O)=O	ZINC000564970635	483867481	/nfs/dbraw/zinc/86/74/81/483867481.db2.gz	GLYLOIWWSRTBHC-UHFFFAOYSA-N	-2	1	373.387	-0.014	20	0		FBADML
C[N-]S(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])co1	ZINC000566797480	485231288	/nfs/dbraw/zinc/23/12/88/485231288.db2.gz	XLVIBTMARSTTLJ-MRVPVSSYSA-N	-2	1	361.376	-0.761	20	0		FBADML
C[N-]S(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])co1	ZINC000566797482	485231166	/nfs/dbraw/zinc/23/11/66/485231166.db2.gz	XLVIBTMARSTTLJ-QMMMGPOBSA-N	-2	1	361.376	-0.761	20	0		FBADML
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(C(=O)[O-])s1	ZINC000567885762	485271197	/nfs/dbraw/zinc/27/11/97/485271197.db2.gz	BTTKEWNHRZFKRD-LURJTMIESA-N	-2	1	374.400	-0.722	20	0		FBADML
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(C(=O)[O-])s1	ZINC000567885763	485271137	/nfs/dbraw/zinc/27/11/37/485271137.db2.gz	BTTKEWNHRZFKRD-ZCFIWIBFSA-N	-2	1	374.400	-0.722	20	0		FBADML
CCOC(=O)c1ccc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)o1	ZINC000568497799	485297555	/nfs/dbraw/zinc/29/75/55/485297555.db2.gz	RTDBIEWFCAPHCG-UHFFFAOYSA-N	-2	1	358.332	-0.276	20	0		FBADML
COC(=O)c1ncsc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000572195644	484924316	/nfs/dbraw/zinc/92/43/16/484924316.db2.gz	LNWWUEKMXANRMA-ZCFIWIBFSA-N	-2	1	366.373	-0.084	20	0		FBADML
Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)on1	ZINC000573339711	483915232	/nfs/dbraw/zinc/91/52/32/483915232.db2.gz	VHAPMTVRZJKKIT-UHFFFAOYSA-N	-2	1	363.421	-0.042	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])c(F)c1	ZINC000574344085	483970215	/nfs/dbraw/zinc/97/02/15/483970215.db2.gz	FDIRLLZETUJTQF-UHFFFAOYSA-N	-2	1	370.380	-0.735	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c(F)c1	ZINC000574499621	483977942	/nfs/dbraw/zinc/97/79/42/483977942.db2.gz	MVVVLSPHQMSZFE-SECBINFHSA-N	-2	1	370.380	-0.689	20	0		FBADML
CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(=O)[O-]	ZINC000576227535	484049613	/nfs/dbraw/zinc/04/96/13/484049613.db2.gz	ZDWODNGRQFTCJK-SECBINFHSA-N	-2	1	373.387	-0.015	20	0		FBADML
Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC(C)(F)F)n1	ZINC000576480936	484063188	/nfs/dbraw/zinc/06/31/88/484063188.db2.gz	QFEVCAVKKQUQSZ-UHFFFAOYSA-N	-2	1	361.396	-0.479	20	0		FBADML
Cc1ccc2c(=O)c(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)c[n-]c2n1	ZINC000578132245	484195547	/nfs/dbraw/zinc/19/55/47/484195547.db2.gz	USIWKYNOJJCXEG-LLVKDONJSA-N	-2	1	365.367	-0.032	20	0		FBADML
Cc1ccc2c([O-])c(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cnc2n1	ZINC000578132245	484195538	/nfs/dbraw/zinc/19/55/38/484195538.db2.gz	USIWKYNOJJCXEG-LLVKDONJSA-N	-2	1	365.367	-0.032	20	0		FBADML
Cc1ccc2c(=O)c(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)c[n-]c2n1	ZINC000578132246	484195578	/nfs/dbraw/zinc/19/55/78/484195578.db2.gz	USIWKYNOJJCXEG-NSHDSACASA-N	-2	1	365.367	-0.032	20	0		FBADML
Cc1ccc2c([O-])c(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cnc2n1	ZINC000578132246	484195570	/nfs/dbraw/zinc/19/55/70/484195570.db2.gz	USIWKYNOJJCXEG-NSHDSACASA-N	-2	1	365.367	-0.032	20	0		FBADML
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000579432831	484260764	/nfs/dbraw/zinc/26/07/64/484260764.db2.gz	FICLYYRDKKJPFN-UHFFFAOYSA-N	-2	1	355.166	-0.089	20	0		FBADML
COc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1[N-]S(C)(=O)=O	ZINC000580194351	484342711	/nfs/dbraw/zinc/34/27/11/484342711.db2.gz	JUGLHWQIXCQBBA-UHFFFAOYSA-N	-2	1	373.387	-0.014	20	0		FBADML
C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H]1C(=O)[O-]	ZINC000580196308	484346161	/nfs/dbraw/zinc/34/61/61/484346161.db2.gz	DPJPZWFCSXWRER-BDAKNGLRSA-N	-2	1	373.387	-0.774	20	0		FBADML
C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]1C(=O)[O-]	ZINC000580196309	484346285	/nfs/dbraw/zinc/34/62/85/484346285.db2.gz	DPJPZWFCSXWRER-DTWKUNHWSA-N	-2	1	373.387	-0.774	20	0		FBADML
C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H]1C(=O)[O-]	ZINC000580196310	484346482	/nfs/dbraw/zinc/34/64/82/484346482.db2.gz	DPJPZWFCSXWRER-IUCAKERBSA-N	-2	1	373.387	-0.774	20	0		FBADML
C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]1C(=O)[O-]	ZINC000580196311	484346030	/nfs/dbraw/zinc/34/60/30/484346030.db2.gz	DPJPZWFCSXWRER-RKDXNWHRSA-N	-2	1	373.387	-0.774	20	0		FBADML
Cc1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000581552200	484334978	/nfs/dbraw/zinc/33/49/78/484334978.db2.gz	PGASLWVDZQFIPE-MRVPVSSYSA-N	-2	1	367.387	-0.492	20	0		FBADML
Cc1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000581552201	484334774	/nfs/dbraw/zinc/33/47/74/484334774.db2.gz	PGASLWVDZQFIPE-QMMMGPOBSA-N	-2	1	367.387	-0.492	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1	ZINC000581610934	484541718	/nfs/dbraw/zinc/54/17/18/484541718.db2.gz	HRHWOICSZTWXNQ-GHMZBOCLSA-N	-2	1	355.372	-0.100	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc1ccccc1	ZINC000581610935	484541355	/nfs/dbraw/zinc/54/13/55/484541355.db2.gz	HRHWOICSZTWXNQ-MNOVXSKESA-N	-2	1	355.372	-0.100	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000581610936	484541464	/nfs/dbraw/zinc/54/14/64/484541464.db2.gz	HRHWOICSZTWXNQ-QWRGUYRKSA-N	-2	1	355.372	-0.100	20	0		FBADML
Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1	ZINC000581610937	484541960	/nfs/dbraw/zinc/54/19/60/484541960.db2.gz	HRHWOICSZTWXNQ-WDEREUQCSA-N	-2	1	355.372	-0.100	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000591450263	483616935	/nfs/dbraw/zinc/61/69/35/483616935.db2.gz	HLZUYXSPKFCPPO-UHFFFAOYSA-N	-2	1	365.375	-0.245	20	0		FBADML
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000592921897	483675853	/nfs/dbraw/zinc/67/58/53/483675853.db2.gz	ZEAUAPQTQUIUNA-BDAKNGLRSA-N	-2	1	362.342	-0.260	20	0		FBADML
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000592921918	483676018	/nfs/dbraw/zinc/67/60/18/483676018.db2.gz	ZEAUAPQTQUIUNA-DTWKUNHWSA-N	-2	1	362.342	-0.260	20	0		FBADML
COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000592921921	483675968	/nfs/dbraw/zinc/67/59/68/483675968.db2.gz	ZEAUAPQTQUIUNA-IUCAKERBSA-N	-2	1	362.342	-0.260	20	0		FBADML
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000592921923	483676081	/nfs/dbraw/zinc/67/60/81/483676081.db2.gz	ZEAUAPQTQUIUNA-RKDXNWHRSA-N	-2	1	362.342	-0.260	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](Cc1ncccn1)C(=O)[O-]	ZINC000593272111	483682836	/nfs/dbraw/zinc/68/28/36/483682836.db2.gz	CVSKDKYMWGBAMY-SECBINFHSA-N	-2	1	369.359	-0.649	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](Cc1ncccn1)C(=O)[O-]	ZINC000593272112	483682997	/nfs/dbraw/zinc/68/29/97/483682997.db2.gz	CVSKDKYMWGBAMY-VIFPVBQESA-N	-2	1	369.359	-0.649	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-]	ZINC000593945416	483696490	/nfs/dbraw/zinc/69/64/90/483696490.db2.gz	LYZLUDZKDQTLQD-LLVKDONJSA-N	-2	1	368.371	-0.044	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000593945417	483696619	/nfs/dbraw/zinc/69/66/19/483696619.db2.gz	LYZLUDZKDQTLQD-NSHDSACASA-N	-2	1	368.371	-0.044	20	0		FBADML
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1F	ZINC000594569996	483705560	/nfs/dbraw/zinc/70/55/60/483705560.db2.gz	APORDLGKQKNUGZ-SSDOTTSWSA-N	-2	1	355.727	-0.011	20	0		FBADML
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1F	ZINC000594570647	483706003	/nfs/dbraw/zinc/70/60/03/483706003.db2.gz	SNPCQXSMPLDEIH-ZETCQYMHSA-N	-2	1	355.727	-0.011	20	0		FBADML
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1F	ZINC000594574527	483705662	/nfs/dbraw/zinc/70/56/62/483705662.db2.gz	APORDLGKQKNUGZ-ZETCQYMHSA-N	-2	1	355.727	-0.011	20	0		FBADML
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1F	ZINC000594673508	483709176	/nfs/dbraw/zinc/70/91/76/483709176.db2.gz	SNPCQXSMPLDEIH-SSDOTTSWSA-N	-2	1	355.727	-0.011	20	0		FBADML
COC(=O)c1oc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)cc1C	ZINC000596035627	483747719	/nfs/dbraw/zinc/74/77/19/483747719.db2.gz	QHPMVWLOSLINBO-UHFFFAOYSA-N	-2	1	358.332	-0.357	20	0		FBADML
COC(=O)c1oc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)cc1C	ZINC000596035633	483747411	/nfs/dbraw/zinc/74/74/11/483747411.db2.gz	QOMOVJCRBYAZED-UHFFFAOYSA-N	-2	1	358.332	-0.471	20	0		FBADML
COC(=O)c1oc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)cc1C	ZINC000596035977	483747314	/nfs/dbraw/zinc/74/73/14/483747314.db2.gz	UHQUEPANKRGBRC-SECBINFHSA-N	-2	1	374.371	-0.414	20	0		FBADML
COC(=O)c1oc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)cc1C	ZINC000596035980	483747777	/nfs/dbraw/zinc/74/77/77/483747777.db2.gz	UHQUEPANKRGBRC-VIFPVBQESA-N	-2	1	374.371	-0.414	20	0		FBADML
CCOC(=O)C[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000597679996	483771801	/nfs/dbraw/zinc/77/18/01/483771801.db2.gz	XFVRWXHPFFOQPS-MRVPVSSYSA-N	-2	1	350.331	-0.212	20	0		FBADML
CCOC(=O)C[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000597680006	483771684	/nfs/dbraw/zinc/77/16/84/483771684.db2.gz	XFVRWXHPFFOQPS-QMMMGPOBSA-N	-2	1	350.331	-0.212	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1F	ZINC000599293349	483806376	/nfs/dbraw/zinc/80/63/76/483806376.db2.gz	VQZODPMVECAKER-UHFFFAOYSA-N	-2	1	363.298	-0.051	20	0		FBADML
Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCc2nn[n-]n2)cn1	ZINC000600495368	483782385	/nfs/dbraw/zinc/78/23/85/483782385.db2.gz	LWBUURAQSSAATP-UHFFFAOYSA-N	-2	1	368.404	-0.275	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1F	ZINC000600634188	483822882	/nfs/dbraw/zinc/82/28/82/483822882.db2.gz	DEKFCXHJMACSKQ-UHFFFAOYSA-N	-2	1	366.298	-0.770	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1F	ZINC000600650827	483823346	/nfs/dbraw/zinc/82/33/46/483823346.db2.gz	CMASKVRGOLUJSK-FWOIEVBISA-N	-2	1	353.299	-0.136	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1F	ZINC000600650829	483823285	/nfs/dbraw/zinc/82/32/85/483823285.db2.gz	CMASKVRGOLUJSK-RRAGMBSWSA-N	-2	1	353.299	-0.136	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c1F	ZINC000600650830	483822893	/nfs/dbraw/zinc/82/28/93/483822893.db2.gz	CMASKVRGOLUJSK-XUOSJQGZSA-N	-2	1	353.299	-0.136	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000600651755	483823006	/nfs/dbraw/zinc/82/30/06/483823006.db2.gz	IUVMPAHLPOJSCS-SSDOTTSWSA-N	-3	1	367.282	-0.042	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000600651765	483822934	/nfs/dbraw/zinc/82/29/34/483822934.db2.gz	IUVMPAHLPOJSCS-ZETCQYMHSA-N	-3	1	367.282	-0.042	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1F	ZINC000600651891	483822909	/nfs/dbraw/zinc/82/29/09/483822909.db2.gz	KXXLJRUHEAIMBW-MRVPVSSYSA-N	-2	1	353.299	-0.135	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c1F	ZINC000600651892	483822984	/nfs/dbraw/zinc/82/29/84/483822984.db2.gz	KXXLJRUHEAIMBW-QMMMGPOBSA-N	-2	1	353.299	-0.135	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1F	ZINC000600653003	483823223	/nfs/dbraw/zinc/82/32/23/483823223.db2.gz	XKPMCYUZMVKNFM-QMMMGPOBSA-N	-2	1	353.299	-0.135	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1F	ZINC000600653012	483823348	/nfs/dbraw/zinc/82/33/48/483823348.db2.gz	XWLFKECNXOBLJR-SSDOTTSWSA-N	-2	1	366.298	-0.642	20	0		FBADML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1F	ZINC000600653014	483823310	/nfs/dbraw/zinc/82/33/10/483823310.db2.gz	XWLFKECNXOBLJR-ZETCQYMHSA-N	-2	1	366.298	-0.642	20	0		FBADML
COCCCNC(=O)CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000607045819	484039102	/nfs/dbraw/zinc/03/91/02/484039102.db2.gz	DGXFTMNUWCWVDA-UHFFFAOYSA-N	-2	1	363.374	-0.031	20	0		FBADML
COCC(=O)N1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1	ZINC000607048553	484041387	/nfs/dbraw/zinc/04/13/87/484041387.db2.gz	VTCWMIUFIZFQDK-UHFFFAOYSA-N	-2	1	361.358	-0.325	20	0		FBADML
Cc1cc(C(=O)N[C@H](CO)CN2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000614409789	484461626	/nfs/dbraw/zinc/46/16/26/484461626.db2.gz	LOLZQSAPGSTKGA-JTQLQIEISA-N	-2	1	363.374	-0.833	20	0		FBADML
Cc1cc(C(=O)N[C@@H](CO)CN2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000614409790	484461478	/nfs/dbraw/zinc/46/14/78/484461478.db2.gz	LOLZQSAPGSTKGA-SNVBAGLBSA-N	-2	1	363.374	-0.833	20	0		FBADML
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Cc1cc(C(=O)NC[C@@]2(OCCO)CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000617710554	484461117	/nfs/dbraw/zinc/46/11/17/484461117.db2.gz	PDPHPZNDSWGFFQ-INIZCTEOSA-N	-2	1	364.358	-0.358	20	0		FBADML
Cc1cc(C(=O)NC[C@]2(OCCO)CCOC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000617710555	484460820	/nfs/dbraw/zinc/46/08/20/484460820.db2.gz	PDPHPZNDSWGFFQ-MRXNPFEDSA-N	-2	1	364.358	-0.358	20	0		FBADML
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617881763	483886362	/nfs/dbraw/zinc/88/63/62/483886362.db2.gz	BXSKPVFAQVGLIL-BDAKNGLRSA-N	-2	1	368.371	-0.714	20	0		FBADML
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617881764	483886439	/nfs/dbraw/zinc/88/64/39/483886439.db2.gz	BXSKPVFAQVGLIL-DTWKUNHWSA-N	-2	1	368.371	-0.714	20	0		FBADML
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617881765	483886378	/nfs/dbraw/zinc/88/63/78/483886378.db2.gz	BXSKPVFAQVGLIL-IUCAKERBSA-N	-2	1	368.371	-0.714	20	0		FBADML
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617881766	483886396	/nfs/dbraw/zinc/88/63/96/483886396.db2.gz	BXSKPVFAQVGLIL-RKDXNWHRSA-N	-2	1	368.371	-0.714	20	0		FBADML
Cc1cc(C(=O)N2CCN(c3nccnn3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000628379958	484559460	/nfs/dbraw/zinc/55/94/60/484559460.db2.gz	WYFZRDNZACWYCM-UHFFFAOYSA-N	-2	1	368.357	-0.108	20	0		FBADML
COCCOCCN(CCO)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000628596941	485358322	/nfs/dbraw/zinc/35/83/22/485358322.db2.gz	FBTGUNHPYWVPGK-UHFFFAOYSA-N	-2	1	366.374	-0.158	20	0		FBADML
Cc1cc(C(=O)N2CC(NS(C)(=O)=O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000628799600	483948042	/nfs/dbraw/zinc/94/80/42/483948042.db2.gz	CGMZNJFLQGQJKD-UHFFFAOYSA-N	-2	1	353.360	-0.882	20	0		FBADML
COc1ccc([N-]S(=O)(=O)c2cnnn2C)cc1[N-]S(C)(=O)=O	ZINC000629286382	484129489	/nfs/dbraw/zinc/12/94/89/484129489.db2.gz	NIMDCUAOYAQQMD-UHFFFAOYSA-N	-2	1	361.405	-0.004	20	0		FBADML
CNS(=O)(=O)CCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000629343292	484145244	/nfs/dbraw/zinc/14/52/44/484145244.db2.gz	FLYWIEXNOCZUAX-UHFFFAOYSA-N	-2	1	355.376	-0.586	20	0		FBADML
COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000643941898	484179668	/nfs/dbraw/zinc/17/96/68/484179668.db2.gz	QUQHPTPOPMMGGK-INIZCTEOSA-N	-2	1	361.358	-0.149	20	0		FBADML
COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000643941899	484180032	/nfs/dbraw/zinc/18/00/32/484180032.db2.gz	QUQHPTPOPMMGGK-MRXNPFEDSA-N	-2	1	361.358	-0.149	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c(C(F)(F)F)n1	ZINC000646041749	484759707	/nfs/dbraw/zinc/75/97/07/484759707.db2.gz	OAAWJBTUCATYHP-UHFFFAOYSA-N	-2	1	368.297	-0.407	20	0		FBADML
CC[C@H](NC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(=O)[O-]	ZINC000647489249	484169630	/nfs/dbraw/zinc/16/96/30/484169630.db2.gz	ZDWODNGRQFTCJK-VIFPVBQESA-N	-2	1	373.387	-0.015	20	0		FBADML
Cc1oc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1S(=O)(=O)N(C)C	ZINC000647782339	484110998	/nfs/dbraw/zinc/11/09/98/484110998.db2.gz	IANSEGOPUDDCCR-UHFFFAOYSA-N	-2	1	357.348	-0.233	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c(=O)n(C)c1=O	ZINC000650238686	483535506	/nfs/dbraw/zinc/53/55/06/483535506.db2.gz	ZTOSWOBVFWCCPD-MRVPVSSYSA-N	-2	1	373.412	-0.360	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(=O)n(C)c1=O	ZINC000650238687	483534685	/nfs/dbraw/zinc/53/46/85/483534685.db2.gz	ZTOSWOBVFWCCPD-QMMMGPOBSA-N	-2	1	373.412	-0.360	20	0		FBADML
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ncccc1C(F)(F)F	ZINC000650418682	483727201	/nfs/dbraw/zinc/72/72/01/483727201.db2.gz	QHMYSPDBRBVXAK-UHFFFAOYSA-N	-2	1	355.294	-0.030	20	0		FBADML
Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000650424623	483727323	/nfs/dbraw/zinc/72/73/23/483727323.db2.gz	HMFNTMPZQCQRDQ-MRVPVSSYSA-N	-2	1	356.364	-0.289	20	0		FBADML
Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000650424624	483727278	/nfs/dbraw/zinc/72/72/78/483727278.db2.gz	HMFNTMPZQCQRDQ-QMMMGPOBSA-N	-2	1	356.364	-0.289	20	0		FBADML
Cc1o[n-]c(=N)c1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cncn2C)C1	ZINC000650425096	483727086	/nfs/dbraw/zinc/72/70/86/483727086.db2.gz	WLTQQKPGDVBZFI-IUCAKERBSA-N	-2	1	355.376	-0.382	20	0		FBADML
CNC(=O)c1ccc(=NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)[n-]n1	ZINC000650816664	484078847	/nfs/dbraw/zinc/07/88/47/484078847.db2.gz	CEKBLLGPMYPEBH-UHFFFAOYSA-N	-2	1	355.358	-0.196	20	0		FBADML
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000653317462	483478028	/nfs/dbraw/zinc/47/80/28/483478028.db2.gz	XAFJUYAMSGCSAM-HTQZYQBOSA-N	-2	1	359.360	-0.879	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])o1	ZINC000653320408	483486762	/nfs/dbraw/zinc/48/67/62/483486762.db2.gz	MGFHCZFCCSXYPK-SECBINFHSA-N	-2	1	373.387	-0.487	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])o1	ZINC000653320409	483486267	/nfs/dbraw/zinc/48/62/67/483486267.db2.gz	MGFHCZFCCSXYPK-VIFPVBQESA-N	-2	1	373.387	-0.487	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)o1	ZINC000653322126	483509036	/nfs/dbraw/zinc/50/90/36/483509036.db2.gz	LZVWXHNVJXGMMO-UHFFFAOYSA-N	-2	1	359.360	-0.830	20	0		FBADML
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CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000653757274	484427455	/nfs/dbraw/zinc/42/74/55/484427455.db2.gz	KTROJGLIQWTHSU-MRVPVSSYSA-N	-2	1	369.403	-0.198	20	0		FBADML
CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000653757275	484427690	/nfs/dbraw/zinc/42/76/90/484427690.db2.gz	KTROJGLIQWTHSU-QMMMGPOBSA-N	-2	1	369.403	-0.198	20	0		FBADML
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Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)c1Cl	ZINC000737618598	599152483	/nfs/dbraw/zinc/15/24/83/599152483.db2.gz	JHXOIBPZSQFBFM-UHFFFAOYSA-N	-2	1	368.766	-0.233	20	0		FBADML
COC(=O)c1cccc(CS(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC)c1	ZINC000737706910	600222306	/nfs/dbraw/zinc/22/23/06/600222306.db2.gz	DXPLMFZVEOBNEH-LLVKDONJSA-N	-2	1	359.356	-0.091	20	0		FBADML
COC(=O)c1cccc(CS(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC)c1	ZINC000737706912	600222281	/nfs/dbraw/zinc/22/22/81/600222281.db2.gz	DXPLMFZVEOBNEH-NSHDSACASA-N	-2	1	359.356	-0.091	20	0		FBADML
COC(=O)c1sc2[n-]c(CN3CC[C@H](O)C3)nc(=O)c2c1CC(=O)[O-]	ZINC000737723438	600443234	/nfs/dbraw/zinc/44/32/34/600443234.db2.gz	KOLHBCZTIBBIIN-ZETCQYMHSA-N	-2	1	367.383	-0.035	20	0		FBADML
NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737748938	599261962	/nfs/dbraw/zinc/26/19/62/599261962.db2.gz	SVRVDITZCBBQAU-UHFFFAOYSA-N	-2	1	363.363	-0.866	20	0		FBADML
NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737748938	599261960	/nfs/dbraw/zinc/26/19/60/599261960.db2.gz	SVRVDITZCBBQAU-UHFFFAOYSA-N	-2	1	363.363	-0.866	20	0		FBADML
NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1	ZINC000737764712	598438524	/nfs/dbraw/zinc/43/85/24/598438524.db2.gz	NQBWVCIEYMRPTK-UHFFFAOYSA-N	-2	1	352.361	-0.382	20	0		FBADML
NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1	ZINC000737764712	598438523	/nfs/dbraw/zinc/43/85/23/598438523.db2.gz	NQBWVCIEYMRPTK-UHFFFAOYSA-N	-2	1	352.361	-0.382	20	0		FBADML
COCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000737823040	600395296	/nfs/dbraw/zinc/39/52/96/600395296.db2.gz	CYLLSWZTJHFXHF-UHFFFAOYSA-N	-2	1	352.390	-0.562	20	0		FBADML
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738139828	599154776	/nfs/dbraw/zinc/15/47/76/599154776.db2.gz	QOWFLBXNPRNBCM-JTQLQIEISA-N	-2	1	352.376	-0.110	20	0		FBADML
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738139828	599154772	/nfs/dbraw/zinc/15/47/72/599154772.db2.gz	QOWFLBXNPRNBCM-JTQLQIEISA-N	-2	1	352.376	-0.110	20	0		FBADML
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738139830	599155225	/nfs/dbraw/zinc/15/52/25/599155225.db2.gz	QOWFLBXNPRNBCM-SNVBAGLBSA-N	-2	1	352.376	-0.110	20	0		FBADML
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738139830	599155221	/nfs/dbraw/zinc/15/52/21/599155221.db2.gz	QOWFLBXNPRNBCM-SNVBAGLBSA-N	-2	1	352.376	-0.110	20	0		FBADML
C[S@](=O)CCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000738179011	600257031	/nfs/dbraw/zinc/25/70/31/600257031.db2.gz	FEIICUAHJOPROV-DEOSSOPVSA-N	-2	1	351.384	-0.099	20	0		FBADML
C[S@@](=O)CCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000738179012	600257134	/nfs/dbraw/zinc/25/71/34/600257134.db2.gz	FEIICUAHJOPROV-XMMPIXPASA-N	-2	1	351.384	-0.099	20	0		FBADML
O=C(c1cc(=O)[nH][n-]1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000738294591	598719701	/nfs/dbraw/zinc/71/97/01/598719701.db2.gz	DTQXWWBUAIYUNJ-UHFFFAOYSA-N	-2	1	371.361	-0.743	20	0		FBADML
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738337015	599941251	/nfs/dbraw/zinc/94/12/51/599941251.db2.gz	XHIMZZHWCVIQCT-CYBMUJFWSA-N	-2	1	358.354	-0.005	20	0		FBADML
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738337018	599941197	/nfs/dbraw/zinc/94/11/97/599941197.db2.gz	XHIMZZHWCVIQCT-ZDUSSCGKSA-N	-2	1	358.354	-0.005	20	0		FBADML
CC(C)[C@@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000738773685	603085079	/nfs/dbraw/zinc/08/50/79/603085079.db2.gz	UOHXJUZKILEYBT-CYBMUJFWSA-N	-2	1	362.408	-0.955	20	0		FBADML
CC(C)[C@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000738773686	603084869	/nfs/dbraw/zinc/08/48/69/603084869.db2.gz	UOHXJUZKILEYBT-ZDUSSCGKSA-N	-2	1	362.408	-0.955	20	0		FBADML
CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000738810484	602567002	/nfs/dbraw/zinc/56/70/02/602567002.db2.gz	KBHACOCBIMEIDM-SECBINFHSA-N	-2	1	362.408	-0.955	20	0		FBADML
CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000738810488	602566919	/nfs/dbraw/zinc/56/69/19/602566919.db2.gz	KBHACOCBIMEIDM-VIFPVBQESA-N	-2	1	362.408	-0.955	20	0		FBADML
CC(C)N(CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000738849093	602389766	/nfs/dbraw/zinc/38/97/66/602389766.db2.gz	WOVFGFJCLQXEBX-UHFFFAOYSA-N	-2	1	362.408	-0.859	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NCCC(=O)[O-]	ZINC000738872148	599992299	/nfs/dbraw/zinc/99/22/99/599992299.db2.gz	BRTSWRRGGFCFMZ-UHFFFAOYSA-N	-2	1	350.331	-0.272	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC000738873190	599992179	/nfs/dbraw/zinc/99/21/79/599992179.db2.gz	QEVKOTVKSLPCTF-SECBINFHSA-N	-2	1	350.331	-0.273	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000738873192	599992391	/nfs/dbraw/zinc/99/23/91/599992391.db2.gz	QEVKOTVKSLPCTF-VIFPVBQESA-N	-2	1	350.331	-0.273	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000738873615	599989460	/nfs/dbraw/zinc/98/94/60/599989460.db2.gz	YWWVZYXQMXTZSE-LLVKDONJSA-N	-2	1	361.358	-0.604	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000738873616	599989682	/nfs/dbraw/zinc/98/96/82/599989682.db2.gz	YWWVZYXQMXTZSE-NSHDSACASA-N	-2	1	361.358	-0.604	20	0		FBADML
C[C@H](CN(C)C(=O)[O-])c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1	ZINC000738912388	603013880	/nfs/dbraw/zinc/01/38/80/603013880.db2.gz	KCNWLTKUQKOPAG-MRVPVSSYSA-N	-2	1	358.380	-0.005	20	0		FBADML
C[C@@H](CN(C)C(=O)[O-])c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1	ZINC000738912389	603013836	/nfs/dbraw/zinc/01/38/36/603013836.db2.gz	KCNWLTKUQKOPAG-QMMMGPOBSA-N	-2	1	358.380	-0.005	20	0		FBADML
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040914	601993379	/nfs/dbraw/zinc/99/33/79/601993379.db2.gz	XQJXMHXIUSXAFW-NXEZZACHSA-N	-2	1	374.419	-0.859	20	0		FBADML
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040919	601993482	/nfs/dbraw/zinc/99/34/82/601993482.db2.gz	XQJXMHXIUSXAFW-UWVGGRQHSA-N	-2	1	374.419	-0.859	20	0		FBADML
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739040922	601993407	/nfs/dbraw/zinc/99/34/07/601993407.db2.gz	XQJXMHXIUSXAFW-VHSXEESVSA-N	-2	1	374.419	-0.859	20	0		FBADML
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739040925	601993354	/nfs/dbraw/zinc/99/33/54/601993354.db2.gz	XQJXMHXIUSXAFW-ZJUUUORDSA-N	-2	1	374.419	-0.859	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)o1	ZINC000739162590	601125886	/nfs/dbraw/zinc/12/58/86/601125886.db2.gz	CENXYZDKEYQWFM-UHFFFAOYSA-N	-2	1	367.339	-0.006	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)o1	ZINC000739163023	601125467	/nfs/dbraw/zinc/12/54/67/601125467.db2.gz	KQUHHMXRNUSAMA-UHFFFAOYSA-N	-2	1	367.339	-0.006	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)o1	ZINC000739163474	600659186	/nfs/dbraw/zinc/65/91/86/600659186.db2.gz	TXGOPMXCABZNIA-UHFFFAOYSA-N	-2	1	373.387	-0.440	20	0		FBADML
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000739202020	603223330	/nfs/dbraw/zinc/22/33/30/603223330.db2.gz	DWQKSEUJOWGZPF-NXEZZACHSA-N	-2	1	354.363	-0.454	20	0		FBADML
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000739202022	603223175	/nfs/dbraw/zinc/22/31/75/603223175.db2.gz	DWQKSEUJOWGZPF-UWVGGRQHSA-N	-2	1	354.363	-0.454	20	0		FBADML
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000739202024	603223164	/nfs/dbraw/zinc/22/31/64/603223164.db2.gz	DWQKSEUJOWGZPF-VHSXEESVSA-N	-2	1	354.363	-0.454	20	0		FBADML
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000739202026	603223418	/nfs/dbraw/zinc/22/34/18/603223418.db2.gz	DWQKSEUJOWGZPF-ZJUUUORDSA-N	-2	1	354.363	-0.454	20	0		FBADML
CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000739255230	602564219	/nfs/dbraw/zinc/56/42/19/602564219.db2.gz	YGFUDCNTLICMAG-UHFFFAOYSA-N	-2	1	362.408	-0.811	20	0		FBADML
O=C([O-])[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Cc1ccc(O)cc1	ZINC000739269448	600587190	/nfs/dbraw/zinc/58/71/90/600587190.db2.gz	XWXHBLOQAMNCEK-GFCCVEGCSA-N	-2	1	361.354	-0.308	20	0		FBADML
O=C([O-])[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)Cc1ccc(O)cc1	ZINC000739269449	600587086	/nfs/dbraw/zinc/58/70/86/600587086.db2.gz	XWXHBLOQAMNCEK-LBPRGKRZSA-N	-2	1	361.354	-0.308	20	0		FBADML
O=C([O-])[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000739309726	599744033	/nfs/dbraw/zinc/74/40/33/599744033.db2.gz	RAPXATAJKAWGLB-MRVPVSSYSA-N	-2	1	371.198	-0.167	20	0		FBADML
O=C([O-])[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000739309733	599744120	/nfs/dbraw/zinc/74/41/20/599744120.db2.gz	RAPXATAJKAWGLB-QMMMGPOBSA-N	-2	1	371.198	-0.167	20	0		FBADML
O=C([O-])c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)c(OC(F)F)c1	ZINC000739450358	600341415	/nfs/dbraw/zinc/34/14/15/600341415.db2.gz	MVTBCLJSTRFDFP-UHFFFAOYSA-N	-2	1	356.245	-0.246	20	0		FBADML
O=C([O-])c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2nn[n-]n2)c1	ZINC000739451011	600341722	/nfs/dbraw/zinc/34/17/22/600341722.db2.gz	WMYFTGOEHSGHIC-UHFFFAOYSA-N	-2	1	359.346	-0.247	20	0		FBADML
CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C(=O)[O-]	ZINC000739628171	602165651	/nfs/dbraw/zinc/16/56/51/602165651.db2.gz	TWSICRQDFQOQIU-UHFFFAOYSA-N	-2	1	373.387	-0.039	20	0		FBADML
O=C([O-])CCCc1nnc(NC(=O)CCn2cc[n-]c(=O)c2=O)s1	ZINC000739704495	600555263	/nfs/dbraw/zinc/55/52/63/600555263.db2.gz	VIIQDWNNNBSETQ-UHFFFAOYSA-N	-2	1	353.360	-0.176	20	0		FBADML
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000739739519	602858739	/nfs/dbraw/zinc/85/87/39/602858739.db2.gz	SXZYWWRZZFUIPD-LLVKDONJSA-N	-2	1	364.358	-0.051	20	0		FBADML
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000739739520	602858860	/nfs/dbraw/zinc/85/88/60/602858860.db2.gz	SXZYWWRZZFUIPD-NSHDSACASA-N	-2	1	364.358	-0.051	20	0		FBADML
O=C([O-])CCNC(=O)c1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000739742573	600577490	/nfs/dbraw/zinc/57/74/90/600577490.db2.gz	XWRXYUHNLCCRHZ-UHFFFAOYSA-N	-2	1	374.353	-0.230	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)o1	ZINC000739752594	602495901	/nfs/dbraw/zinc/49/59/01/602495901.db2.gz	MLGGKEJZYCXFAK-UHFFFAOYSA-N	-2	1	374.419	-0.445	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-]CCN2CCN(C(=O)[O-])CC2)o1	ZINC000739794015	602591777	/nfs/dbraw/zinc/59/17/77/602591777.db2.gz	ZLYKCBOIYHMKEK-UHFFFAOYSA-N	-2	1	361.376	-0.360	20	0		FBADML
O=C([O-])CNC(=O)c1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000739813464	599955065	/nfs/dbraw/zinc/95/50/65/599955065.db2.gz	QLSIMCHMQDCHPP-UHFFFAOYSA-N	-2	1	360.326	-0.620	20	0		FBADML
O=C([O-])CNC(=O)Cc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000739813564	599954978	/nfs/dbraw/zinc/95/49/78/599954978.db2.gz	KQRCXQSHJWWKCQ-UHFFFAOYSA-N	-2	1	374.353	-0.691	20	0		FBADML
O=C([O-])CSCc1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1	ZINC000739868953	600341443	/nfs/dbraw/zinc/34/14/43/600341443.db2.gz	VVFJHLNGHOTJBR-UHFFFAOYSA-N	-2	1	350.360	-0.228	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCn3cncn3)cc2)[n-]1	ZINC000739876671	599820048	/nfs/dbraw/zinc/82/00/48/599820048.db2.gz	FMFUITDSNIGOFK-UHFFFAOYSA-N	-2	1	356.342	-0.186	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCCNC(=O)C3)cc2)[n-]1	ZINC000739876686	599932487	/nfs/dbraw/zinc/93/24/87/599932487.db2.gz	GAKXWOUBOHTSGM-UHFFFAOYSA-N	-2	1	358.354	-0.245	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000739884463	603148203	/nfs/dbraw/zinc/14/82/03/603148203.db2.gz	UDQHSAQSZYMJSR-CMPLNLGQSA-N	-2	1	366.326	-0.392	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000739884467	603148357	/nfs/dbraw/zinc/14/83/57/603148357.db2.gz	UDQHSAQSZYMJSR-JQWIXIFHSA-N	-2	1	366.326	-0.392	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000739884473	603148343	/nfs/dbraw/zinc/14/83/43/603148343.db2.gz	UDQHSAQSZYMJSR-PWSUYJOCSA-N	-2	1	366.326	-0.392	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000739884478	603148372	/nfs/dbraw/zinc/14/83/72/603148372.db2.gz	UDQHSAQSZYMJSR-ZYHUDNBSSA-N	-2	1	366.326	-0.392	20	0		FBADML
O=C([O-])Cc1nc([N-]C(=O)c2nc3ncc(Br)cn3n2)n[nH]1	ZINC000739900106	600181907	/nfs/dbraw/zinc/18/19/07/600181907.db2.gz	ZSVGYDZVJRAFOB-UHFFFAOYSA-N	-2	1	367.123	-0.116	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c(F)c1	ZINC000740001964	604412273	/nfs/dbraw/zinc/41/22/73/604412273.db2.gz	OBLKEPSIXSPMDG-UHFFFAOYSA-N	-2	1	367.380	-0.162	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCNC(=O)[O-])c(F)c1	ZINC000740002681	602282322	/nfs/dbraw/zinc/28/23/22/602282322.db2.gz	RLLLLIJEXXKFIW-UHFFFAOYSA-N	-2	1	355.369	-0.257	20	0		FBADML
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC1CN(C(=O)[O-])C1	ZINC000740222885	604749514	/nfs/dbraw/zinc/74/95/14/604749514.db2.gz	OLFNJSFYYBBEPQ-UHFFFAOYSA-N	-2	1	365.390	-0.262	20	0		FBADML
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCN(C)C(=O)[O-]	ZINC000740223981	602302408	/nfs/dbraw/zinc/30/24/08/602302408.db2.gz	WWPIQIZFNYKAJR-UHFFFAOYSA-N	-2	1	367.406	-0.014	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]CC2(NC(=O)[O-])CCCCC2)c(=O)n(C)c1=O	ZINC000740290517	601986921	/nfs/dbraw/zinc/98/69/21/601986921.db2.gz	OVLZHGVRBKSPNE-UHFFFAOYSA-N	-2	1	374.419	-0.667	20	0		FBADML
O=C([O-])N1CCN(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C(=O)C1	ZINC000740366448	603101262	/nfs/dbraw/zinc/10/12/62/603101262.db2.gz	BKBWZMRSTOHQME-CYBMUJFWSA-N	-2	1	359.346	-0.773	20	0		FBADML
O=C([O-])N1CCN(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C(=O)C1	ZINC000740366452	603101856	/nfs/dbraw/zinc/10/18/56/603101856.db2.gz	BKBWZMRSTOHQME-ZDUSSCGKSA-N	-2	1	359.346	-0.773	20	0		FBADML
O=C([O-])N1CCN(C(=O)CNC(=O)c2n[n-]c3ccccc3c2=O)CC1	ZINC000740405565	602589168	/nfs/dbraw/zinc/58/91/68/602589168.db2.gz	WMWYDYPLYVGEAH-UHFFFAOYSA-N	-2	1	359.342	-0.113	20	0		FBADML
O=C([O-])[C@H]1CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)=NN1c1ccccc1	ZINC000740476018	597005242	/nfs/dbraw/zinc/00/52/42/597005242.db2.gz	FZHLIRHNYOSQIG-CHWSQXEVSA-N	-2	1	371.357	-0.181	20	0		FBADML
O=C([O-])[C@H]1CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)=NN1c1ccccc1	ZINC000740476019	597005227	/nfs/dbraw/zinc/00/52/27/597005227.db2.gz	FZHLIRHNYOSQIG-OLZOCXBDSA-N	-2	1	371.357	-0.181	20	0		FBADML
O=C([O-])[C@@H]1CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)=NN1c1ccccc1	ZINC000740476020	597004883	/nfs/dbraw/zinc/00/48/83/597004883.db2.gz	FZHLIRHNYOSQIG-QWHCGFSZSA-N	-2	1	371.357	-0.181	20	0		FBADML
O=C([O-])[C@@H]1CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)=NN1c1ccccc1	ZINC000740476021	597005064	/nfs/dbraw/zinc/00/50/64/597005064.db2.gz	FZHLIRHNYOSQIG-STQMWFEESA-N	-2	1	371.357	-0.181	20	0		FBADML
O=C([O-])N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCc1nn[n-]n1	ZINC000740691213	602544912	/nfs/dbraw/zinc/54/49/12/602544912.db2.gz	KGSWOZZBUSZRII-ZDUSSCGKSA-N	-2	1	370.373	-0.060	20	0		FBADML
O=C([O-])Nc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c([O-])c1	ZINC000740697413	602857640	/nfs/dbraw/zinc/85/76/40/602857640.db2.gz	DYSNDTSUFJIQQP-UHFFFAOYSA-N	-2	1	373.387	-0.126	20	0		FBADML
O=C([O-])Nc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c([O-])c1	ZINC000740699510	602849670	/nfs/dbraw/zinc/84/96/70/602849670.db2.gz	VQVZBNZSEXFHDA-UHFFFAOYSA-N	-2	1	357.388	-0.058	20	0		FBADML
CCNS(=O)(=O)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000746242977	660589723	/nfs/dbraw/zinc/58/97/23/660589723.db2.gz	BMJOPXUUVIQYPR-UHFFFAOYSA-N	-2	1	355.376	-0.586	20	0		FBADML
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000756929316	660675145	/nfs/dbraw/zinc/67/51/45/660675145.db2.gz	BPPSVQQTNJESRS-UHFFFAOYSA-N	-3	1	352.271	-0.858	20	0		FBADML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000763449954	660718189	/nfs/dbraw/zinc/71/81/89/660718189.db2.gz	FXPOSIFHYLJOMM-UHFFFAOYSA-N	-2	1	358.420	-0.016	20	0		FBADML
Cn1[n-]c(COC(=O)CNS(=O)(=O)c2ccc(Cl)s2)nc1=O	ZINC000765462038	660731099	/nfs/dbraw/zinc/73/10/99/660731099.db2.gz	MSIZQWPNKSAKHA-UHFFFAOYSA-N	-2	1	366.808	-0.155	20	0		FBADML
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1F	ZINC000776444187	601229176	/nfs/dbraw/zinc/22/91/76/601229176.db2.gz	ZKHAMWPRHDIHTM-UHFFFAOYSA-N	-2	1	366.298	-0.770	20	0		FBADML
CCCCCCn1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(=O)[nH]c1=O	ZINC000776444261	660813888	/nfs/dbraw/zinc/81/38/88/660813888.db2.gz	MZLOILZPUWYURY-SECBINFHSA-N	-2	1	363.392	-0.747	20	0		FBADML
CCCCCCn1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(=O)[nH]c1=O	ZINC000776444262	660813963	/nfs/dbraw/zinc/81/39/63/660813963.db2.gz	MZLOILZPUWYURY-VIFPVBQESA-N	-2	1	363.392	-0.747	20	0		FBADML
CCCCCCn1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(=O)[nH]c1=O	ZINC000776540462	660815154	/nfs/dbraw/zinc/81/51/54/660815154.db2.gz	RBZXHSIZHRQQTC-VIFPVBQESA-N	-2	1	363.392	-0.747	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000776555342	660815099	/nfs/dbraw/zinc/81/50/99/660815099.db2.gz	PHSDDEBOHQGCIP-LLVKDONJSA-N	-2	1	373.431	-0.357	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@H](CC2CCCC2)C(=O)[O-])c(=O)n(C)c1=O	ZINC000776555357	660815040	/nfs/dbraw/zinc/81/50/40/660815040.db2.gz	PHSDDEBOHQGCIP-NSHDSACASA-N	-2	1	373.431	-0.357	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)o1	ZINC000780315452	660840533	/nfs/dbraw/zinc/84/05/33/660840533.db2.gz	SSIQBDXKYDCINP-UHFFFAOYSA-N	-2	1	355.332	-0.826	20	0		FBADML
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(F)c1	ZINC000784723912	660865040	/nfs/dbraw/zinc/86/50/40/660865040.db2.gz	KLFQBKPPQUISDH-UHFFFAOYSA-N	-2	1	366.396	-0.194	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(F)cc1Cl	ZINC000794757490	660935393	/nfs/dbraw/zinc/93/53/93/660935393.db2.gz	OQPZZIRZYNUDTN-MRVPVSSYSA-N	-2	1	355.727	-0.011	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(F)cc1Cl	ZINC000794757491	660935514	/nfs/dbraw/zinc/93/55/14/660935514.db2.gz	OQPZZIRZYNUDTN-QMMMGPOBSA-N	-2	1	355.727	-0.011	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(F)cc1Cl	ZINC000794763151	660935856	/nfs/dbraw/zinc/93/58/56/660935856.db2.gz	WYLWUJZFTANDRK-QMMMGPOBSA-N	-2	1	355.727	-0.011	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800550113	662276670	/nfs/dbraw/zinc/27/66/70/662276670.db2.gz	REUUQIDKTVMIMX-UHFFFAOYSA-N	-2	1	369.403	-0.824	20	0		FBADML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000801613243	662310101	/nfs/dbraw/zinc/31/01/01/662310101.db2.gz	NAADGAKOWOVSQZ-YFKPBYRVSA-N	-2	1	357.314	-0.150	20	0		FBADML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000801613243	662310094	/nfs/dbraw/zinc/31/00/94/662310094.db2.gz	NAADGAKOWOVSQZ-YFKPBYRVSA-N	-2	1	357.314	-0.150	20	0		FBADML
COC(=O)c1c(C)[n-]nc1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808553375	660991000	/nfs/dbraw/zinc/99/10/00/660991000.db2.gz	JKBXOSNOSUZDOS-UHFFFAOYSA-N	-2	1	368.297	-0.125	20	0		FBADML
CCOC(=O)c1c[n-]nc1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808553439	660990853	/nfs/dbraw/zinc/99/08/53/660990853.db2.gz	AOMZIWRTPYMGLG-UHFFFAOYSA-N	-2	1	368.297	-0.044	20	0		FBADML
COC(=O)c1c(C)n[n-]c1S(=O)(=O)[N-]c1ccncc1C(=O)OC	ZINC000811830069	661010540	/nfs/dbraw/zinc/01/05/40/661010540.db2.gz	ZIWQISOSRGWFPG-UHFFFAOYSA-N	-2	1	354.344	-0.091	20	0		FBADML
COC(=O)c1c(C)n[n-]c1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000812319791	661012643	/nfs/dbraw/zinc/01/26/43/661012643.db2.gz	RTGOLTXEGAFOFM-UHFFFAOYSA-N	-2	1	350.360	-0.039	20	0		FBADML
CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000818378409	596930264	/nfs/dbraw/zinc/93/02/64/596930264.db2.gz	UGVPALHOONVRJO-UHFFFAOYSA-N	-2	1	371.375	-0.927	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)o1	ZINC000819117101	597097130	/nfs/dbraw/zinc/09/71/30/597097130.db2.gz	XNYRFJKSMUNBFU-SECBINFHSA-N	-2	1	373.387	-0.630	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)o1	ZINC000819117102	597097141	/nfs/dbraw/zinc/09/71/41/597097141.db2.gz	XNYRFJKSMUNBFU-VIFPVBQESA-N	-2	1	373.387	-0.630	20	0		FBADML
COc1cccc(S([O-])=CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1	ZINC000819257747	661067293	/nfs/dbraw/zinc/06/72/93/661067293.db2.gz	XPFUXBNNJQOEGA-FNODVLLQSA-N	-2	1	351.388	-0.084	20	0		FBADML
COc1cccc(S([O-])=CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1	ZINC000819257754	661067280	/nfs/dbraw/zinc/06/72/80/661067280.db2.gz	XPFUXBNNJQOEGA-MCFWBGNESA-N	-2	1	351.388	-0.084	20	0		FBADML
COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1	ZINC000819257757	661067257	/nfs/dbraw/zinc/06/72/57/661067257.db2.gz	XPFUXBNNJQOEGA-OIRASMEMSA-N	-2	1	351.388	-0.084	20	0		FBADML
COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1	ZINC000819257760	661067206	/nfs/dbraw/zinc/06/72/06/661067206.db2.gz	XPFUXBNNJQOEGA-YYUOZPCZSA-N	-2	1	351.388	-0.084	20	0		FBADML
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)[O-])o1	ZINC000819915268	597834013	/nfs/dbraw/zinc/83/40/13/597834013.db2.gz	XDYMHIFBQNMLBH-UHFFFAOYSA-N	-2	1	362.360	-0.286	20	0		FBADML
COc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1[N-]S(C)(=O)=O	ZINC000820841146	598170768	/nfs/dbraw/zinc/17/07/68/598170768.db2.gz	JLWIFCZZXLFRLB-ZETCQYMHSA-N	-2	1	359.360	-0.406	20	0		FBADML
COc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1[N-]S(C)(=O)=O	ZINC000820841299	661079028	/nfs/dbraw/zinc/07/90/28/661079028.db2.gz	NLPDIWXVSDNBLU-UHFFFAOYSA-N	-2	1	359.360	-0.404	20	0		FBADML
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)NCC(=O)[O-]	ZINC000821182225	597839039	/nfs/dbraw/zinc/83/90/39/597839039.db2.gz	QWVUPNYRANXLPK-UHFFFAOYSA-N	-2	1	350.331	-0.272	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC000821342840	606708836	/nfs/dbraw/zinc/70/88/36/606708836.db2.gz	JPIYKIZIYWKVPO-UHFFFAOYSA-N	-2	1	367.351	-0.699	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000821342840	606708834	/nfs/dbraw/zinc/70/88/34/606708834.db2.gz	JPIYKIZIYWKVPO-UHFFFAOYSA-N	-2	1	367.351	-0.699	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)o1	ZINC000821350067	600938191	/nfs/dbraw/zinc/93/81/91/600938191.db2.gz	JIWOWDBBYAWUGC-UHFFFAOYSA-N	-2	1	373.387	-0.584	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1	ZINC000821620407	606708359	/nfs/dbraw/zinc/70/83/59/606708359.db2.gz	IWWMVMQYVIMRKA-UHFFFAOYSA-N	-2	1	374.386	-0.080	20	0		FBADML
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cc1	ZINC000821635082	606708722	/nfs/dbraw/zinc/70/87/22/606708722.db2.gz	LNLKVRKLFXKUDB-UHFFFAOYSA-N	-2	1	362.375	-0.239	20	0		FBADML
CNC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cn1C	ZINC000821635170	606708350	/nfs/dbraw/zinc/70/83/50/606708350.db2.gz	PFZZPPJYKRIQDK-UHFFFAOYSA-N	-2	1	365.379	-0.901	20	0		FBADML
CNC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cn1C	ZINC000821635279	661084722	/nfs/dbraw/zinc/08/47/22/661084722.db2.gz	UUIBKFVMCICLAE-UHFFFAOYSA-N	-2	1	368.404	-0.178	20	0		FBADML
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000821661657	606178831	/nfs/dbraw/zinc/17/88/31/606178831.db2.gz	SJXPXGIBHDVQKQ-UHFFFAOYSA-N	-2	1	359.389	-0.059	20	0		FBADML
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000821661657	606178830	/nfs/dbraw/zinc/17/88/30/606178830.db2.gz	SJXPXGIBHDVQKQ-UHFFFAOYSA-N	-2	1	359.389	-0.059	20	0		FBADML
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cn1	ZINC000821663618	607025741	/nfs/dbraw/zinc/02/57/41/607025741.db2.gz	GKEAXDXOSXLPDH-UHFFFAOYSA-N	-2	1	370.376	-0.507	20	0		FBADML
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC000821666761	606710468	/nfs/dbraw/zinc/71/04/68/606710468.db2.gz	DDNVZSRNSVNZET-UHFFFAOYSA-N	-2	1	367.351	-0.781	20	0		FBADML
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000821666761	606710467	/nfs/dbraw/zinc/71/04/67/606710467.db2.gz	DDNVZSRNSVNZET-UHFFFAOYSA-N	-2	1	367.351	-0.781	20	0		FBADML
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncc(-c2nn[n-]n2)s1	ZINC000821666813	661084977	/nfs/dbraw/zinc/08/49/77/661084977.db2.gz	HIJJUZVESYGIRF-UHFFFAOYSA-N	-2	1	370.376	-0.058	20	0		FBADML
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1	ZINC000821666813	661084976	/nfs/dbraw/zinc/08/49/76/661084976.db2.gz	HIJJUZVESYGIRF-UHFFFAOYSA-N	-2	1	370.376	-0.058	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cn1C	ZINC000821668117	606709044	/nfs/dbraw/zinc/70/90/44/606709044.db2.gz	PJYCEBBXXGZUFI-UHFFFAOYSA-N	-2	1	366.363	-0.474	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)c[nH]1	ZINC000821668205	606709635	/nfs/dbraw/zinc/70/96/35/606709635.db2.gz	UYLIOJNFPZFMKO-UHFFFAOYSA-N	-2	1	352.336	-0.484	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)o1	ZINC000821670005	606710512	/nfs/dbraw/zinc/71/05/12/606710512.db2.gz	IQKNCQKTJUWHKX-UHFFFAOYSA-N	-2	1	353.320	-0.219	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)o1	ZINC000821670005	606710510	/nfs/dbraw/zinc/71/05/10/606710510.db2.gz	IQKNCQKTJUWHKX-UHFFFAOYSA-N	-2	1	353.320	-0.219	20	0		FBADML
COC(=O)c1nscc1S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1	ZINC000821671042	606710692	/nfs/dbraw/zinc/71/06/92/606710692.db2.gz	FHAAAQGUZAEPJD-UHFFFAOYSA-N	-2	1	370.376	-0.356	20	0		FBADML
COC(=O)c1nscc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000821671042	606710690	/nfs/dbraw/zinc/71/06/90/606710690.db2.gz	FHAAAQGUZAEPJD-UHFFFAOYSA-N	-2	1	370.376	-0.356	20	0		FBADML
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000821693263	607158214	/nfs/dbraw/zinc/15/82/14/607158214.db2.gz	ZJDLDSXQSUZNSB-UHFFFAOYSA-N	-2	1	361.405	-0.349	20	0		FBADML
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000821693263	607158213	/nfs/dbraw/zinc/15/82/13/607158213.db2.gz	ZJDLDSXQSUZNSB-UHFFFAOYSA-N	-2	1	361.405	-0.349	20	0		FBADML
COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n(C)n1	ZINC000821694338	607122552	/nfs/dbraw/zinc/12/25/52/607122552.db2.gz	IVALFKLJPMFSCP-UHFFFAOYSA-N	-2	1	364.391	-0.015	20	0		FBADML
COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n(C)n1	ZINC000821694338	607122550	/nfs/dbraw/zinc/12/25/50/607122550.db2.gz	IVALFKLJPMFSCP-UHFFFAOYSA-N	-2	1	364.391	-0.015	20	0		FBADML
Cc1ccc(-n2[n-]nnc2=NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1	ZINC000822225085	606441982	/nfs/dbraw/zinc/44/19/82/606441982.db2.gz	NMKBEMZZHDFSHF-UHFFFAOYSA-N	-2	1	366.393	-0.077	20	0		FBADML
Cc1ccc(-n2[n-]nnc2=NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1	ZINC000822225085	606441980	/nfs/dbraw/zinc/44/19/80/606441980.db2.gz	NMKBEMZZHDFSHF-UHFFFAOYSA-N	-2	1	366.393	-0.077	20	0		FBADML
Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cc1C(N)=O	ZINC000822267287	606709124	/nfs/dbraw/zinc/70/91/24/606709124.db2.gz	QXOWWUGJEKXFEA-UHFFFAOYSA-N	-2	1	362.375	-0.192	20	0		FBADML
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nn(C)cc3-c3nn[n-]n3)cc12	ZINC000822496228	606709370	/nfs/dbraw/zinc/70/93/70/606709370.db2.gz	FTNXIJPDSYFDRU-UHFFFAOYSA-N	-2	1	374.390	-0.009	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1	ZINC000822622352	606709794	/nfs/dbraw/zinc/70/97/94/606709794.db2.gz	BUGYZEDMNDXQEV-UHFFFAOYSA-N	-2	1	373.362	-0.623	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1	ZINC000822622696	606709920	/nfs/dbraw/zinc/70/99/20/606709920.db2.gz	HEBXFVDYYCJVLJ-UHFFFAOYSA-N	-2	1	361.347	-0.017	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1	ZINC000822622701	606711464	/nfs/dbraw/zinc/71/14/64/606711464.db2.gz	HIOPJPHSSWFTNB-UHFFFAOYSA-N	-2	1	374.386	-0.313	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1	ZINC000822622948	606711227	/nfs/dbraw/zinc/71/12/27/606711227.db2.gz	LLLXHASBNQEWAB-UHFFFAOYSA-N	-2	1	374.342	-0.715	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1	ZINC000822623000	606710285	/nfs/dbraw/zinc/71/02/85/606710285.db2.gz	NSSPATYGGHWKBI-UHFFFAOYSA-N	-2	1	360.359	-0.104	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1	ZINC000822623065	606709913	/nfs/dbraw/zinc/70/99/13/606709913.db2.gz	OGCCJTNILLHOOJ-UHFFFAOYSA-N	-2	1	373.362	-0.623	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n1	ZINC000822623507	606711725	/nfs/dbraw/zinc/71/17/25/606711725.db2.gz	YFCPHNJZPCPPJW-UHFFFAOYSA-N	-3	1	365.331	-0.195	20	0		FBADML
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000822623516	606712080	/nfs/dbraw/zinc/71/20/80/606712080.db2.gz	YTKUMARRFVGLKV-UHFFFAOYSA-N	-3	1	352.336	-0.562	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1C(N)=O	ZINC000822684609	607026746	/nfs/dbraw/zinc/02/67/46/607026746.db2.gz	DUFZKJHAYHCOKN-UHFFFAOYSA-N	-2	1	354.377	-0.439	20	0		FBADML
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000823118498	606293558	/nfs/dbraw/zinc/29/35/58/606293558.db2.gz	BIXGIBANIXHICL-UHFFFAOYSA-N	-2	1	353.302	-0.404	20	0		FBADML
O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000823135944	607213756	/nfs/dbraw/zinc/21/37/56/607213756.db2.gz	BKFVIYSTRWXYRC-UHFFFAOYSA-N	-2	1	354.290	-0.560	20	0		FBADML
CC(C)(C(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1CCN(C(=O)[O-])CC1	ZINC000823737664	603771122	/nfs/dbraw/zinc/77/11/22/603771122.db2.gz	JHNXQUZHJYXSOP-JTQLQIEISA-N	-2	1	353.383	-0.826	20	0		FBADML
CC(C)(C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1CCN(C(=O)[O-])CC1	ZINC000823737666	603771454	/nfs/dbraw/zinc/77/14/54/603771454.db2.gz	JHNXQUZHJYXSOP-SNVBAGLBSA-N	-2	1	353.383	-0.826	20	0		FBADML
C[C@H](Cc1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1)N(C)C(=O)[O-]	ZINC000825048382	605318251	/nfs/dbraw/zinc/31/82/51/605318251.db2.gz	QUPXZZBHTFVKSA-MRVPVSSYSA-N	-2	1	358.380	-0.178	20	0		FBADML
C[C@@H](Cc1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1)N(C)C(=O)[O-]	ZINC000825048383	605318330	/nfs/dbraw/zinc/31/83/30/605318330.db2.gz	QUPXZZBHTFVKSA-QMMMGPOBSA-N	-2	1	358.380	-0.178	20	0		FBADML
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[n-]n1	ZINC000825552662	608305173	/nfs/dbraw/zinc/30/51/73/608305173.db2.gz	CMXDCXVQOITWLB-UHFFFAOYSA-N	-2	1	367.351	-0.401	20	0		FBADML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[n-]n1	ZINC000825564829	608306453	/nfs/dbraw/zinc/30/64/53/608306453.db2.gz	HBJIXNGSDGRKAY-UHFFFAOYSA-N	-2	1	353.324	-0.710	20	0		FBADML
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)nc2)nc1C	ZINC000825805101	608822030	/nfs/dbraw/zinc/82/20/30/608822030.db2.gz	RORUMRCAWCQMAT-UHFFFAOYSA-N	-2	1	362.375	-0.095	20	0		FBADML
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)nc1C	ZINC000825805101	608822026	/nfs/dbraw/zinc/82/20/26/608822026.db2.gz	RORUMRCAWCQMAT-UHFFFAOYSA-N	-2	1	362.375	-0.095	20	0		FBADML
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cn1C	ZINC000825846140	608415027	/nfs/dbraw/zinc/41/50/27/608415027.db2.gz	SOFPYRAVISTIMP-UHFFFAOYSA-N	-2	1	365.379	-0.569	20	0		FBADML
CN1C(=O)c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[n-]n3)cc2C1=O	ZINC000826016743	608306573	/nfs/dbraw/zinc/30/65/73/608306573.db2.gz	FWBFWVHTWRABMM-UHFFFAOYSA-N	-2	1	374.342	-0.384	20	0		FBADML
CNC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cn1C	ZINC000826068681	608306707	/nfs/dbraw/zinc/30/67/07/608306707.db2.gz	WGYYYVZOMWGBSF-UHFFFAOYSA-N	-2	1	351.352	-0.911	20	0		FBADML
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000826157816	608010673	/nfs/dbraw/zinc/01/06/73/608010673.db2.gz	NBEPHAJZCZNTOY-UHFFFAOYSA-N	-2	1	359.339	-0.273	20	0		FBADML
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000826157867	608010657	/nfs/dbraw/zinc/01/06/57/608010657.db2.gz	PCQGEWYSUKBFKM-UHFFFAOYSA-N	-2	1	359.339	-0.273	20	0		FBADML
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000826157867	608010656	/nfs/dbraw/zinc/01/06/56/608010656.db2.gz	PCQGEWYSUKBFKM-UHFFFAOYSA-N	-2	1	359.339	-0.273	20	0		FBADML
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000826158067	608010462	/nfs/dbraw/zinc/01/04/62/608010462.db2.gz	YNRHWJFTEKXXMF-UHFFFAOYSA-N	-2	1	359.339	-0.273	20	0		FBADML
COCCn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cn1	ZINC000826163917	607662832	/nfs/dbraw/zinc/66/28/32/607662832.db2.gz	QRVNLBLWSIIRBL-UHFFFAOYSA-N	-2	1	353.368	-0.756	20	0		FBADML
COCCn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cn1	ZINC000826164036	607654686	/nfs/dbraw/zinc/65/46/86/607654686.db2.gz	WMBORCZJACRQBD-UHFFFAOYSA-N	-2	1	356.393	-0.033	20	0		FBADML
COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1C(N)=O	ZINC000826211576	608307501	/nfs/dbraw/zinc/30/75/01/608307501.db2.gz	LCRFYPWAIRUJDF-UHFFFAOYSA-N	-2	1	364.347	-0.502	20	0		FBADML
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1	ZINC000826223848	608307525	/nfs/dbraw/zinc/30/75/25/608307525.db2.gz	CFNMKRTWCKEYKF-UHFFFAOYSA-N	-2	1	369.388	-0.206	20	0		FBADML
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nn[n-]n1	ZINC000826223926	608307411	/nfs/dbraw/zinc/30/74/11/608307411.db2.gz	GOWTZGNQAQPYAV-UHFFFAOYSA-N	-2	1	369.388	-0.206	20	0		FBADML
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c1	ZINC000826223954	608307508	/nfs/dbraw/zinc/30/75/08/608307508.db2.gz	IQTHZYZDHFBMFT-UHFFFAOYSA-N	-2	1	369.388	-0.206	20	0		FBADML
Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1-c1nn[n-]n1	ZINC000826322525	661109881	/nfs/dbraw/zinc/10/98/81/661109881.db2.gz	QMBWZVBZBXWEAP-UHFFFAOYSA-N	-2	1	351.352	-0.864	20	0		FBADML
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[n-]n3)cc12	ZINC000826334530	607462071	/nfs/dbraw/zinc/46/20/71/607462071.db2.gz	YTOOBKCPTRFLJJ-UHFFFAOYSA-N	-2	1	360.363	-0.019	20	0		FBADML
Cn1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[n-]n3)cc2oc1=O	ZINC000826354636	608305654	/nfs/dbraw/zinc/30/56/54/608305654.db2.gz	NYUUUNUZMHXJMK-UHFFFAOYSA-N	-2	1	362.331	-0.165	20	0		FBADML
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(=O)[O-]	ZINC000826366841	608395944	/nfs/dbraw/zinc/39/59/44/608395944.db2.gz	ZWTRVAFHYFSYBF-UHFFFAOYSA-N	-3	1	350.320	-0.506	20	0		FBADML
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(=O)[O-]	ZINC000826366841	608395942	/nfs/dbraw/zinc/39/59/42/608395942.db2.gz	ZWTRVAFHYFSYBF-UHFFFAOYSA-N	-3	1	350.320	-0.506	20	0		FBADML
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c1	ZINC000826367207	608307458	/nfs/dbraw/zinc/30/74/58/608307458.db2.gz	PNMPARPMSOVZNJ-UHFFFAOYSA-N	-2	1	373.362	-0.419	20	0		FBADML
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c1	ZINC000826395246	608307338	/nfs/dbraw/zinc/30/73/38/608307338.db2.gz	TVQFCJJVWPBJJQ-UHFFFAOYSA-N	-2	1	370.376	-0.962	20	0		FBADML
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1	ZINC000826395313	608307496	/nfs/dbraw/zinc/30/74/96/608307496.db2.gz	WHHIDQAEYJGGAZ-UHFFFAOYSA-N	-2	1	370.376	-0.962	20	0		FBADML
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1	ZINC000826461110	608011521	/nfs/dbraw/zinc/01/15/21/608011521.db2.gz	GMGPDBJHYURXQF-MRVPVSSYSA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1	ZINC000826461110	608011520	/nfs/dbraw/zinc/01/15/20/608011520.db2.gz	GMGPDBJHYURXQF-MRVPVSSYSA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1	ZINC000826461111	608011452	/nfs/dbraw/zinc/01/14/52/608011452.db2.gz	GMGPDBJHYURXQF-QMMMGPOBSA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1	ZINC000826461111	608011451	/nfs/dbraw/zinc/01/14/51/608011451.db2.gz	GMGPDBJHYURXQF-QMMMGPOBSA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1	ZINC000826461148	608011487	/nfs/dbraw/zinc/01/14/87/608011487.db2.gz	HXSBKAPRUAKOJM-SECBINFHSA-N	-2	1	373.778	-0.006	20	0		FBADML
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1	ZINC000826461149	608011428	/nfs/dbraw/zinc/01/14/28/608011428.db2.gz	HXSBKAPRUAKOJM-VIFPVBQESA-N	-2	1	373.778	-0.006	20	0		FBADML
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1	ZINC000826461305	608011454	/nfs/dbraw/zinc/01/14/54/608011454.db2.gz	OWGQZVZFOOKCQW-MRVPVSSYSA-N	-2	1	373.778	-0.006	20	0		FBADML
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1	ZINC000826461306	608011320	/nfs/dbraw/zinc/01/13/20/608011320.db2.gz	OWGQZVZFOOKCQW-QMMMGPOBSA-N	-2	1	373.778	-0.006	20	0		FBADML
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1	ZINC000826461358	608011445	/nfs/dbraw/zinc/01/14/45/608011445.db2.gz	RAPMRIOBYVINJR-JTQLQIEISA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1	ZINC000826461359	608011259	/nfs/dbraw/zinc/01/12/59/608011259.db2.gz	RAPMRIOBYVINJR-SNVBAGLBSA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1	ZINC000826461512	608011401	/nfs/dbraw/zinc/01/14/01/608011401.db2.gz	XWOCAYUJOFNCQT-SECBINFHSA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1	ZINC000826461513	608011256	/nfs/dbraw/zinc/01/12/56/608011256.db2.gz	XWOCAYUJOFNCQT-VIFPVBQESA-N	-2	1	357.323	-0.520	20	0		FBADML
O=C1COc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[n-]n3)cc2N1	ZINC000826481718	608307076	/nfs/dbraw/zinc/30/70/76/608307076.db2.gz	GLNKJJQJCFYIPZ-UHFFFAOYSA-N	-2	1	362.331	-0.279	20	0		FBADML
O=C1NCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nn[n-]n3)cc21	ZINC000826482753	608307043	/nfs/dbraw/zinc/30/70/43/608307043.db2.gz	PFVXXCXRFDRIFP-UHFFFAOYSA-N	-2	1	360.359	-0.324	20	0		FBADML
O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1cnn([C@@H]2CCOC2)c1	ZINC000826492293	608306029	/nfs/dbraw/zinc/30/60/29/608306029.db2.gz	BESCIYDNOUSHPC-SSDOTTSWSA-N	-2	1	351.352	-0.452	20	0		FBADML
O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1cnn([C@H]2CCOC2)c1	ZINC000826492294	608305860	/nfs/dbraw/zinc/30/58/60/608305860.db2.gz	BESCIYDNOUSHPC-ZETCQYMHSA-N	-2	1	351.352	-0.452	20	0		FBADML
O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1cnn(C2CCOCC2)c1	ZINC000826492306	608307349	/nfs/dbraw/zinc/30/73/49/608307349.db2.gz	BZYFADZYIMFADW-UHFFFAOYSA-N	-2	1	365.379	-0.061	20	0		FBADML
O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1ccc(-n2cnnn2)cc1	ZINC000826492608	608305965	/nfs/dbraw/zinc/30/59/65/608305965.db2.gz	UBQQBMUSVXCNFX-UHFFFAOYSA-N	-2	1	359.335	-0.634	20	0		FBADML
O=S(=O)([N-]c1n[nH]cc1-c1nn[n-]n1)c1cccc(-n2cnnn2)c1	ZINC000826492679	608306269	/nfs/dbraw/zinc/30/62/69/608306269.db2.gz	XQINXQQWXMHHSE-UHFFFAOYSA-N	-2	1	359.335	-0.634	20	0		FBADML
O=c1[n-]c(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n[nH]1	ZINC000826501678	608403579	/nfs/dbraw/zinc/40/35/79/608403579.db2.gz	BLSSRWVBUVGMMG-UHFFFAOYSA-N	-2	1	358.366	-0.122	20	0		FBADML
CCC(CC)(C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)[O-]	ZINC000826561106	603477574	/nfs/dbraw/zinc/47/75/74/603477574.db2.gz	KTVDEWUQSDOPHP-UHFFFAOYSA-N	-2	1	362.408	-0.811	20	0		FBADML
CCCC[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000826816013	603922607	/nfs/dbraw/zinc/92/26/07/603922607.db2.gz	WZXCXLLCCPAKFY-SECBINFHSA-N	-2	1	362.408	-0.811	20	0		FBADML
CCCC[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000826816014	603922647	/nfs/dbraw/zinc/92/26/47/603922647.db2.gz	WZXCXLLCCPAKFY-VIFPVBQESA-N	-2	1	362.408	-0.811	20	0		FBADML
C[C@H](CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1)C(=O)[O-]	ZINC000827432414	600923263	/nfs/dbraw/zinc/92/32/63/600923263.db2.gz	LQYSVDHRRAJBTH-MRVPVSSYSA-N	-2	1	373.387	-0.632	20	0		FBADML
C[C@@H](CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1)C(=O)[O-]	ZINC000827432415	600923248	/nfs/dbraw/zinc/92/32/48/600923248.db2.gz	LQYSVDHRRAJBTH-QMMMGPOBSA-N	-2	1	373.387	-0.632	20	0		FBADML
C[C@](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)(C(=O)[O-])C1CC1	ZINC000827703006	600961914	/nfs/dbraw/zinc/96/19/14/600961914.db2.gz	GTZDKGCZUPLSFB-CYBMUJFWSA-N	-2	1	359.360	-0.974	20	0		FBADML
C[C@@](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)(C(=O)[O-])C1CC1	ZINC000827703007	600961896	/nfs/dbraw/zinc/96/18/96/600961896.db2.gz	GTZDKGCZUPLSFB-ZDUSSCGKSA-N	-2	1	359.360	-0.974	20	0		FBADML
C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NCC(=O)[O-]	ZINC000827873240	601111926	/nfs/dbraw/zinc/11/19/26/601111926.db2.gz	GCGQAORYAACTRP-LURJTMIESA-N	-2	1	350.374	-0.134	20	0		FBADML
C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NCC(=O)[O-]	ZINC000827873241	601111896	/nfs/dbraw/zinc/11/18/96/601111896.db2.gz	GCGQAORYAACTRP-ZCFIWIBFSA-N	-2	1	350.374	-0.134	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])o1	ZINC000828585025	603520049	/nfs/dbraw/zinc/52/00/49/603520049.db2.gz	JBRRKKQWFQNLOI-SECBINFHSA-N	-2	1	360.392	-0.789	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])o1	ZINC000828585027	603519299	/nfs/dbraw/zinc/51/92/99/603519299.db2.gz	JBRRKKQWFQNLOI-VIFPVBQESA-N	-2	1	360.392	-0.789	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)o1	ZINC000828585199	604682022	/nfs/dbraw/zinc/68/20/22/604682022.db2.gz	JSICHLDHMYXIDG-PSASIEDQSA-N	-2	1	361.376	-0.315	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)o1	ZINC000828585200	604682092	/nfs/dbraw/zinc/68/20/92/604682092.db2.gz	JSICHLDHMYXIDG-SCZZXKLOSA-N	-2	1	361.376	-0.315	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)o1	ZINC000828585201	604681920	/nfs/dbraw/zinc/68/19/20/604681920.db2.gz	JSICHLDHMYXIDG-WCBMZHEXSA-N	-2	1	361.376	-0.315	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)o1	ZINC000828585202	604682135	/nfs/dbraw/zinc/68/21/35/604682135.db2.gz	JSICHLDHMYXIDG-WPRPVWTQSA-N	-2	1	361.376	-0.315	20	0		FBADML
CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000828638196	601460473	/nfs/dbraw/zinc/46/04/73/601460473.db2.gz	IBQCDFLRHIMLRN-CYBMUJFWSA-N	-2	1	361.376	-0.584	20	0		FBADML
CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1	ZINC000828638197	601460614	/nfs/dbraw/zinc/46/06/14/601460614.db2.gz	IBQCDFLRHIMLRN-ZDUSSCGKSA-N	-2	1	361.376	-0.584	20	0		FBADML
CCC(CC)(NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000828841959	600976014	/nfs/dbraw/zinc/97/60/14/600976014.db2.gz	ICHYPOMNIMOEEW-UHFFFAOYSA-N	-2	1	361.376	-0.584	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000829275886	603449862	/nfs/dbraw/zinc/44/98/62/603449862.db2.gz	FBGKBJZIYPJOEB-UHFFFAOYSA-N	-2	1	366.326	-0.126	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000829277207	605199515	/nfs/dbraw/zinc/19/95/15/605199515.db2.gz	OSAHWMBLLSTXAF-GFCCVEGCSA-N	-2	1	366.326	-0.126	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000829277208	605199497	/nfs/dbraw/zinc/19/94/97/605199497.db2.gz	OSAHWMBLLSTXAF-LBPRGKRZSA-N	-2	1	366.326	-0.126	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000829277470	603894838	/nfs/dbraw/zinc/89/48/38/603894838.db2.gz	SHEZCHLGVUQCGK-GFCCVEGCSA-N	-2	1	366.326	-0.126	20	0		FBADML
COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2COCCN2C(=O)[O-])cc1	ZINC000829277471	603895283	/nfs/dbraw/zinc/89/52/83/603895283.db2.gz	SHEZCHLGVUQCGK-LBPRGKRZSA-N	-2	1	366.326	-0.126	20	0		FBADML
CSc1nc(=O)[n-]c(C)c1C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1	ZINC000829778398	603479540	/nfs/dbraw/zinc/47/95/40/603479540.db2.gz	XPDUYXBHLNKKEL-UHFFFAOYSA-N	-2	1	369.403	-0.235	20	0		FBADML
CCOC(=O)N1CCN(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)CC1	ZINC000829860870	601839768	/nfs/dbraw/zinc/83/97/68/601839768.db2.gz	HLXDGOBDFPQLDN-UHFFFAOYSA-N	-2	1	361.380	-0.602	20	0		FBADML
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCN(C(=O)[O-])CC2)sc1C	ZINC000830775588	605496383	/nfs/dbraw/zinc/49/63/83/605496383.db2.gz	QGNPPMAUENNJTH-UHFFFAOYSA-N	-2	1	362.433	-0.140	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(=O)n(C)c1=O	ZINC000831013835	603140869	/nfs/dbraw/zinc/14/08/69/603140869.db2.gz	BAGIQSFGVRXDND-PBINXNQUSA-N	-2	1	372.403	-0.964	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O	ZINC000831014189	603137022	/nfs/dbraw/zinc/13/70/22/603137022.db2.gz	PIMZNRINYUDOAK-NXEZZACHSA-N	-2	1	374.419	-0.811	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O	ZINC000831014190	603137066	/nfs/dbraw/zinc/13/70/66/603137066.db2.gz	PIMZNRINYUDOAK-UWVGGRQHSA-N	-2	1	374.419	-0.811	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O	ZINC000831014191	603137026	/nfs/dbraw/zinc/13/70/26/603137026.db2.gz	PIMZNRINYUDOAK-VHSXEESVSA-N	-2	1	374.419	-0.811	20	0		FBADML
Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O	ZINC000831014192	603137134	/nfs/dbraw/zinc/13/71/34/603137134.db2.gz	PIMZNRINYUDOAK-ZJUUUORDSA-N	-2	1	374.419	-0.811	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)o1	ZINC000831034092	604700092	/nfs/dbraw/zinc/70/00/92/604700092.db2.gz	KSDZUCVNERPQJD-SSDOTTSWSA-N	-2	1	358.332	-0.218	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)o1	ZINC000831034094	604700481	/nfs/dbraw/zinc/70/04/81/604700481.db2.gz	KSDZUCVNERPQJD-ZETCQYMHSA-N	-2	1	358.332	-0.218	20	0		FBADML
C[N-]S(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)o1	ZINC000831034175	604704118	/nfs/dbraw/zinc/70/41/18/604704118.db2.gz	MBMWDABYCWXNNH-UHFFFAOYSA-N	-2	1	358.332	-0.737	20	0		FBADML
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000831068199	600877799	/nfs/dbraw/zinc/87/77/99/600877799.db2.gz	ZKZWHQHIKDLDPE-SSDOTTSWSA-N	-3	1	350.287	-0.509	20	0		FBADML
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000831068200	600877991	/nfs/dbraw/zinc/87/79/91/600877991.db2.gz	ZKZWHQHIKDLDPE-ZETCQYMHSA-N	-3	1	350.287	-0.509	20	0		FBADML
COC(=O)C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)[O-]	ZINC000831133937	600877722	/nfs/dbraw/zinc/87/77/22/600877722.db2.gz	IVPYOUMTVSDEKT-SSDOTTSWSA-N	-3	1	350.287	-0.509	20	0		FBADML
COC(=O)C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)C(=O)[O-]	ZINC000831133939	600877937	/nfs/dbraw/zinc/87/79/37/600877937.db2.gz	IVPYOUMTVSDEKT-ZETCQYMHSA-N	-3	1	350.287	-0.509	20	0		FBADML
COC(=O)N1CC(NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1	ZINC000831198581	604952110	/nfs/dbraw/zinc/95/21/10/604952110.db2.gz	NYPDRTPQMPYYFC-UHFFFAOYSA-N	-2	1	374.353	-0.027	20	0		FBADML
NS(=O)(=O)CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1	ZINC000831246643	603934096	/nfs/dbraw/zinc/93/40/96/603934096.db2.gz	SMZOWBFTXSBXNE-UHFFFAOYSA-N	-2	1	372.403	-0.472	20	0		FBADML
COC[C@@](C)(O)CNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000831638034	600790375	/nfs/dbraw/zinc/79/03/75/600790375.db2.gz	PSRKZDNJKSIAOI-KRWDZBQOSA-N	-2	1	363.370	-0.080	20	0		FBADML
COC[C@](C)(O)CNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC000831638035	600790277	/nfs/dbraw/zinc/79/02/77/600790277.db2.gz	PSRKZDNJKSIAOI-QGZVFWFLSA-N	-2	1	363.370	-0.080	20	0		FBADML
O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3cncc([O-])c3)C2)CC1	ZINC000832041803	603940936	/nfs/dbraw/zinc/94/09/36/603940936.db2.gz	BFMLRCYPYRPWHR-UHFFFAOYSA-N	-2	1	370.387	-0.763	20	0		FBADML
O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)c3ncccc3[O-])C2)CC1	ZINC000832043340	603938376	/nfs/dbraw/zinc/93/83/76/603938376.db2.gz	WUISXKYTHWYTJK-UHFFFAOYSA-N	-2	1	370.387	-0.763	20	0		FBADML
O=C([O-])NC1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)Cc2ccccc2C1	ZINC000832155651	603772690	/nfs/dbraw/zinc/77/26/90/603772690.db2.gz	LJGBXBPFHHTITJ-GFCCVEGCSA-N	-2	1	358.358	-0.095	20	0		FBADML
O=C([O-])NC1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)Cc2ccccc2C1	ZINC000832155652	603772759	/nfs/dbraw/zinc/77/27/59/603772759.db2.gz	LJGBXBPFHHTITJ-LBPRGKRZSA-N	-2	1	358.358	-0.095	20	0		FBADML
COc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1[N-]S(C)(=O)=O	ZINC000832397988	601274978	/nfs/dbraw/zinc/27/49/78/601274978.db2.gz	DHMXGLLEGRADOX-UHFFFAOYSA-N	-2	1	369.359	-0.005	20	0		FBADML
O=C([O-])NCCCOC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1	ZINC000832625395	604078069	/nfs/dbraw/zinc/07/80/69/604078069.db2.gz	NTIMOYYOHUVQKH-UHFFFAOYSA-N	-2	1	368.390	-0.408	20	0		FBADML
O=C([O-])NCc1nnnn1CC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1	ZINC000832738198	604030979	/nfs/dbraw/zinc/03/09/79/604030979.db2.gz	IHJZPORGDLKTMI-UHFFFAOYSA-N	-2	1	370.272	-0.001	20	0		FBADML
Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000832862317	600887101	/nfs/dbraw/zinc/88/71/01/600887101.db2.gz	ZUBBEBFKOVKOHB-MRVPVSSYSA-N	-3	1	361.314	-0.840	20	0		FBADML
Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000832862318	600887224	/nfs/dbraw/zinc/88/72/24/600887224.db2.gz	ZUBBEBFKOVKOHB-QMMMGPOBSA-N	-3	1	361.314	-0.840	20	0		FBADML
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000832993511	601721825	/nfs/dbraw/zinc/72/18/25/601721825.db2.gz	YUYXPWHXWJVQHR-CYBMUJFWSA-N	-2	1	358.354	-0.005	20	0		FBADML
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000832993512	601721895	/nfs/dbraw/zinc/72/18/95/601721895.db2.gz	YUYXPWHXWJVQHR-ZDUSSCGKSA-N	-2	1	358.354	-0.005	20	0		FBADML
Cc1oc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cc1S(=O)(=O)N(C)C	ZINC000833024691	601503291	/nfs/dbraw/zinc/50/32/91/601503291.db2.gz	QPHDBVNSJSZRCY-UHFFFAOYSA-N	-2	1	357.348	-0.164	20	0		FBADML
Cn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1C(=O)[O-]	ZINC000833052168	601313321	/nfs/dbraw/zinc/31/33/21/601313321.db2.gz	PKDFVOJNGKWVFO-UHFFFAOYSA-N	-2	1	370.343	-0.668	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)o1	ZINC000833081274	601870501	/nfs/dbraw/zinc/87/05/01/601870501.db2.gz	IYKQFXDVULLPHE-UHFFFAOYSA-N	-2	1	373.387	-0.487	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])o1	ZINC000833081320	604748980	/nfs/dbraw/zinc/74/89/80/604748980.db2.gz	JZPLLKPXTACOEC-MRVPVSSYSA-N	-2	1	359.360	-0.878	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])o1	ZINC000833081321	604748779	/nfs/dbraw/zinc/74/87/79/604748779.db2.gz	JZPLLKPXTACOEC-QMMMGPOBSA-N	-2	1	359.360	-0.878	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)o1	ZINC000833081328	601707878	/nfs/dbraw/zinc/70/78/78/601707878.db2.gz	KKJAQOYZEWTBKJ-UHFFFAOYSA-N	-2	1	373.387	-0.582	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)o1	ZINC000833081587	601522099	/nfs/dbraw/zinc/52/20/99/601522099.db2.gz	MPBOHSPRTFRYGL-MRVPVSSYSA-N	-2	1	359.360	-0.974	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)o1	ZINC000833081591	601522183	/nfs/dbraw/zinc/52/21/83/601522183.db2.gz	MPBOHSPRTFRYGL-QMMMGPOBSA-N	-2	1	359.360	-0.974	20	0		FBADML
O=C([O-])COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1Cl	ZINC000833256780	604827550	/nfs/dbraw/zinc/82/75/50/604827550.db2.gz	QDNCXILMCQBJNU-UHFFFAOYSA-N	-2	1	354.710	-0.429	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@H](CO)C3)cc2)[n-]1	ZINC000833264627	604369600	/nfs/dbraw/zinc/36/96/00/604369600.db2.gz	FAFKUSBDMYJDGV-AWEZNQCLSA-N	-2	1	361.354	-0.374	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@@H](CO)C3)cc2)[n-]1	ZINC000833264628	604369965	/nfs/dbraw/zinc/36/99/65/604369965.db2.gz	FAFKUSBDMYJDGV-CQSZACIVSA-N	-2	1	361.354	-0.374	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@H](O)C[C@H](O)C3)cc2)[n-]1	ZINC000833264638	601687850	/nfs/dbraw/zinc/68/78/50/601687850.db2.gz	FQXJVYPQOJZYPV-OKILXGFUSA-N	-2	1	361.354	-0.640	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCn3ncnn3)cc2)[n-]1	ZINC000833265944	604937481	/nfs/dbraw/zinc/93/74/81/604937481.db2.gz	GVSQLAAHPIFCBH-UHFFFAOYSA-N	-2	1	357.330	-0.791	20	0		FBADML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)[n-]1	ZINC000833266790	601582427	/nfs/dbraw/zinc/58/24/27/601582427.db2.gz	RZPXXMPJLVDXLF-UHFFFAOYSA-N	-3	1	358.314	-0.454	20	0		FBADML
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC000833492769	605210307	/nfs/dbraw/zinc/21/03/07/605210307.db2.gz	RWPZKTOOFHVCEQ-QMMMGPOBSA-N	-2	1	366.827	-0.033	20	0		FBADML
CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@@H]1CCNC1=O	ZINC000833686043	604881369	/nfs/dbraw/zinc/88/13/69/604881369.db2.gz	LCYWBQGVBSOVQR-CYBMUJFWSA-N	-2	1	358.354	-0.247	20	0		FBADML
CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@H]1CCNC1=O	ZINC000833686045	604881695	/nfs/dbraw/zinc/88/16/95/604881695.db2.gz	LCYWBQGVBSOVQR-ZDUSSCGKSA-N	-2	1	358.354	-0.247	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])o1	ZINC000833761622	605859367	/nfs/dbraw/zinc/85/93/67/605859367.db2.gz	MURHNKSVYTWEAJ-SECBINFHSA-N	-2	1	373.387	-0.487	20	0		FBADML
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])o1	ZINC000833761623	605859116	/nfs/dbraw/zinc/85/91/16/605859116.db2.gz	MURHNKSVYTWEAJ-VIFPVBQESA-N	-2	1	373.387	-0.487	20	0		FBADML
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Cn1cc(S(=O)(=O)[N-]CC2(C)CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000833951248	605415354	/nfs/dbraw/zinc/41/53/54/605415354.db2.gz	RDRPKVZZTREQQX-UHFFFAOYSA-N	-2	1	374.419	-0.858	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000833951275	605415390	/nfs/dbraw/zinc/41/53/90/605415390.db2.gz	SAINJKYNSHEMPK-AWEZNQCLSA-N	-2	1	374.419	-0.858	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000833951276	605415647	/nfs/dbraw/zinc/41/56/47/605415647.db2.gz	SAINJKYNSHEMPK-CQSZACIVSA-N	-2	1	374.419	-0.858	20	0		FBADML
Cn1cc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000833951526	606078692	/nfs/dbraw/zinc/07/86/92/606078692.db2.gz	VLTRWKNGUGCNHE-UHFFFAOYSA-N	-2	1	368.371	-0.348	20	0		FBADML
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CCO[N-]C(=O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000846002609	661236589	/nfs/dbraw/zinc/23/65/89/661236589.db2.gz	QYXOMAVUYGMYCI-UHFFFAOYSA-N	-2	1	369.396	-0.457	20	0		FBADML
CCO[N-]C(=O)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br	ZINC000846003054	661236840	/nfs/dbraw/zinc/23/68/40/661236840.db2.gz	QUXJDIACBQVKBX-UHFFFAOYSA-N	-2	1	355.214	-0.163	20	0		FBADML
NC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CCOC1	ZINC000846767637	661244527	/nfs/dbraw/zinc/24/45/27/661244527.db2.gz	LKILDSYXKKHPIP-GFCCVEGCSA-N	-2	1	350.299	-0.414	20	0		FBADML
NC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CCOC1	ZINC000846767639	661244533	/nfs/dbraw/zinc/24/45/33/661244533.db2.gz	LKILDSYXKKHPIP-LBPRGKRZSA-N	-2	1	350.299	-0.414	20	0		FBADML
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCCC(=O)[O-]	ZINC000848609094	661264139	/nfs/dbraw/zinc/26/41/39/661264139.db2.gz	DEJHWVXYADHLMU-HTQZYQBOSA-N	-2	1	353.297	-0.365	20	0		FBADML
C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C(=O)[O-]	ZINC000848609708	661264153	/nfs/dbraw/zinc/26/41/53/661264153.db2.gz	IUILKABDTUBAQF-DJLDLDEBSA-N	-2	1	367.324	-0.119	20	0		FBADML
C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C(=O)[O-]	ZINC000848609747	661264146	/nfs/dbraw/zinc/26/41/46/661264146.db2.gz	IUILKABDTUBAQF-IWSPIJDZSA-N	-2	1	367.324	-0.119	20	0		FBADML
C[C@H](CNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-]	ZINC000848611510	661264404	/nfs/dbraw/zinc/26/44/04/661264404.db2.gz	WCSYLPXLSULYHR-MRVPVSSYSA-N	-2	1	367.324	-0.260	20	0		FBADML
C[C@@H](CNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-]	ZINC000848611511	661264418	/nfs/dbraw/zinc/26/44/18/661264418.db2.gz	WCSYLPXLSULYHR-QMMMGPOBSA-N	-2	1	367.324	-0.260	20	0		FBADML
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000848637191	661264895	/nfs/dbraw/zinc/26/48/95/661264895.db2.gz	LQCOUTMMGAKCSM-RKDXNWHRSA-N	-2	1	367.324	-0.023	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(Br)o1	ZINC000849221079	661271346	/nfs/dbraw/zinc/27/13/46/661271346.db2.gz	KPPMLNMUQGMVDF-SCSAIBSYSA-N	-2	1	372.149	-0.448	20	0		FBADML
CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(=O)[nH]c1=O	ZINC000849222186	661271394	/nfs/dbraw/zinc/27/13/94/661271394.db2.gz	RBZXHSIZHRQQTC-SECBINFHSA-N	-2	1	363.392	-0.747	20	0		FBADML
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(F)cc1Cl	ZINC000849222468	661271354	/nfs/dbraw/zinc/27/13/54/661271354.db2.gz	WYLWUJZFTANDRK-MRVPVSSYSA-N	-2	1	355.727	-0.011	20	0		FBADML
C[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000851680360	661298018	/nfs/dbraw/zinc/29/80/18/661298018.db2.gz	HEVPYMWCYIDETI-BDAKNGLRSA-N	-2	1	367.324	-0.117	20	0		FBADML
C[C@@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000851684063	661298050	/nfs/dbraw/zinc/29/80/50/661298050.db2.gz	VZSCXQDWPBYSQR-SFYZADRCSA-N	-2	1	353.297	-0.507	20	0		FBADML
C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	ZINC000851684185	661298228	/nfs/dbraw/zinc/29/82/28/661298228.db2.gz	YLLCMLNURCPUTB-HLTSFMKQSA-N	-2	1	367.324	-0.261	20	0		FBADML
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O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CCC2(CC1)CNC(=O)CO2	ZINC001148926457	839958695	/nfs/dbraw/zinc/95/86/95/839958695.db2.gz	NHHBXVGEMUJBTF-UHFFFAOYSA-N	-2	1	370.383	-0.240	20	0		FBADML
COC(=O)[C@H]1CN(C)CCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148926673	839957797	/nfs/dbraw/zinc/95/77/97/839957797.db2.gz	RHTLXRXRLXDXKF-LLVKDONJSA-N	-2	1	358.372	-0.432	20	0		FBADML
COC(=O)[C@@H]1CN(C)CCN1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148926674	839957917	/nfs/dbraw/zinc/95/79/17/839957917.db2.gz	RHTLXRXRLXDXKF-NSHDSACASA-N	-2	1	358.372	-0.432	20	0		FBADML
COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CCN1C	ZINC001148926953	839957764	/nfs/dbraw/zinc/95/77/64/839957764.db2.gz	WYSHTSSXAUKUHI-LLVKDONJSA-N	-2	1	358.372	-0.432	20	0		FBADML
COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CCN1C	ZINC001148926954	839958296	/nfs/dbraw/zinc/95/82/96/839958296.db2.gz	WYSHTSSXAUKUHI-NSHDSACASA-N	-2	1	358.372	-0.432	20	0		FBADML
O=C(N[C@@H]1COCCC12OCCO2)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148927247	839958636	/nfs/dbraw/zinc/95/86/36/839958636.db2.gz	JROVQYMJEAAHIL-GFCCVEGCSA-N	-2	1	359.356	-0.099	20	0		FBADML
O=C(N[C@H]1COCCC12OCCO2)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148927248	839958560	/nfs/dbraw/zinc/95/85/60/839958560.db2.gz	JROVQYMJEAAHIL-LBPRGKRZSA-N	-2	1	359.356	-0.099	20	0		FBADML
O=C(NC1CC2(C1)CS(=O)(=O)C2)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148927291	839958285	/nfs/dbraw/zinc/95/82/85/839958285.db2.gz	KZKQNPROTINZMG-UHFFFAOYSA-N	-2	1	361.397	-0.054	20	0		FBADML
CS(=O)(=O)N1CC(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1	ZINC001148927359	839958452	/nfs/dbraw/zinc/95/84/52/839958452.db2.gz	OOYFUXWVECOGFD-UHFFFAOYSA-N	-2	1	350.374	-0.988	20	0		FBADML
CN(C)S(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148928130	839958317	/nfs/dbraw/zinc/95/83/17/839958317.db2.gz	WDMQCCHGIBCINW-UHFFFAOYSA-N	-2	1	352.390	-0.740	20	0		FBADML
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148928160	839957971	/nfs/dbraw/zinc/95/79/71/839957971.db2.gz	WVGMPHZFMLWTOX-VIFPVBQESA-N	-3	1	361.328	-0.225	20	0		FBADML
O=C(NCCN1CCCS1(=O)=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148932789	839956572	/nfs/dbraw/zinc/95/65/72/839956572.db2.gz	APKCERBRCGVVBB-UHFFFAOYSA-N	-2	1	364.401	-0.596	20	0		FBADML
COC(=O)CC[C@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C(N)=O	ZINC001148933809	839956229	/nfs/dbraw/zinc/95/62/29/839956229.db2.gz	NWDFOZFOLLYSSP-VIFPVBQESA-N	-2	1	360.344	-0.824	20	0		FBADML
Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148933923	839957289	/nfs/dbraw/zinc/95/72/89/839957289.db2.gz	OMCQHKQSTHMGFD-UHFFFAOYSA-N	-3	1	350.312	-0.101	20	0		FBADML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001150802463	843746053	/nfs/dbraw/zinc/74/60/53/843746053.db2.gz	DBDFBQTVZGGGCW-SFYZADRCSA-N	-2	1	350.301	-0.197	20	0		FBADML
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001150802472	843746265	/nfs/dbraw/zinc/74/62/65/843746265.db2.gz	DBDFBQTVZGGGCW-YUMQZZPRSA-N	-2	1	350.301	-0.197	20	0		FBADML
C[C@H]1[C@H](NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)C(=O)N1S(=O)(=O)[O-]	ZINC001152679437	843765395	/nfs/dbraw/zinc/76/53/95/843765395.db2.gz	ADMXWUAANIANSU-KGFZYKRKSA-N	-2	1	367.339	-0.222	20	0		FBADML
C[C@H]1[C@H](NC(=O)c2c[n-]c3cccnc3c2=O)C(=O)N1S(=O)(=O)[O-]	ZINC001153860289	843779807	/nfs/dbraw/zinc/77/98/07/843779807.db2.gz	LCZXJVQGPOTXCR-RCOVLWMOSA-N	-2	1	352.328	-0.945	20	0		FBADML
CC(=O)[N-]S(=O)(=O)c1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nc1	ZINC001159195332	843878444	/nfs/dbraw/zinc/87/84/44/843878444.db2.gz	NMTMMDAURPYHMI-UHFFFAOYSA-N	-2	1	365.331	-0.321	20	0		FBADML
Cn1nc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c(=O)n(C)c1=O	ZINC001167936000	836119050	/nfs/dbraw/zinc/11/90/50/836119050.db2.gz	GJCPLJCJENPMFC-UHFFFAOYSA-N	-2	1	352.287	-0.436	20	0		FBADML
O=C(CN1CCN(c2ncccn2)CC1)NCCCC[P@@](=O)([O-])O	ZINC001176985317	840307137	/nfs/dbraw/zinc/30/71/37/840307137.db2.gz	VKWOAKYCOSPDNN-UHFFFAOYSA-N	-2	1	357.351	-0.327	20	0		FBADML
O=C(Cn1nn[n-]c1=S)NCC[N-]C(=O)C(F)(F)Br	ZINC001177746185	840323129	/nfs/dbraw/zinc/32/31/29/840323129.db2.gz	UIMIWJXABUPRTC-UHFFFAOYSA-N	-2	1	359.156	-0.818	20	0		FBADML
Cc1cc(C(=O)N(C)N2CCS(=O)(=O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001177904701	840325274	/nfs/dbraw/zinc/32/52/74/840325274.db2.gz	RTHZYYQACGKJED-UHFFFAOYSA-N	-2	1	367.387	-0.538	20	0		FBADML
O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)NCc1nn[n-]n1	ZINC001182551148	840432485	/nfs/dbraw/zinc/43/24/85/840432485.db2.gz	YQSIVLMVGKJKFR-JTQLQIEISA-N	-2	1	362.371	-0.211	20	0		FBADML
O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)NCc1nn[n-]n1	ZINC001182551149	840432051	/nfs/dbraw/zinc/43/20/51/840432051.db2.gz	YQSIVLMVGKJKFR-SNVBAGLBSA-N	-2	1	362.371	-0.211	20	0		FBADML
CN(C)c1nc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c(N=O)c(=O)[n-]1	ZINC001183653187	840459407	/nfs/dbraw/zinc/45/94/07/840459407.db2.gz	BEADYNBTTUBFHP-UHFFFAOYSA-N	-2	1	353.270	-0.314	20	0		FBADML
O=C(Cn1cc(F)c(=O)[nH]c1=O)Nc1nc[n-]c(=O)c1Br	ZINC001183654918	840459329	/nfs/dbraw/zinc/45/93/29/840459329.db2.gz	QCAQMLMEQWKAIJ-UHFFFAOYSA-N	-2	1	360.099	-0.015	20	0		FBADML
CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1	ZINC001183660247	840461914	/nfs/dbraw/zinc/46/19/14/840461914.db2.gz	CHAGAAYQNYZYPF-UHFFFAOYSA-N	-2	1	372.334	-0.660	20	0		FBADML
Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183902159	840467559	/nfs/dbraw/zinc/46/75/59/840467559.db2.gz	GZUMUJAKHITNDL-UHFFFAOYSA-N	-2	1	350.287	-0.049	20	0		FBADML
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc([O-])cc1F	ZINC001186318652	840517224	/nfs/dbraw/zinc/51/72/24/840517224.db2.gz	OHSICRMFMRPNIN-UHFFFAOYSA-N	-2	1	359.295	-0.758	20	0		FBADML
COCCNC(=O)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-]	ZINC001186497480	840520102	/nfs/dbraw/zinc/52/01/02/840520102.db2.gz	ZVGJGGJVPYQHKM-UHFFFAOYSA-N	-2	1	374.294	-0.254	20	0		FBADML
CCOCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001187287094	840555895	/nfs/dbraw/zinc/55/58/95/840555895.db2.gz	REZGHLKWBBOCQB-UHFFFAOYSA-N	-2	1	351.406	-0.178	20	0		FBADML
NC(=O)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1	ZINC001187595014	840570450	/nfs/dbraw/zinc/57/04/50/840570450.db2.gz	ARWUIKZITMWGFQ-UHFFFAOYSA-N	-2	1	360.735	-0.001	20	0		FBADML
COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001188344187	840619656	/nfs/dbraw/zinc/61/96/56/840619656.db2.gz	XPKKVRHNLAWOPW-UHFFFAOYSA-N	-2	1	364.401	-0.184	20	0		FBADML
COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001188393349	840624057	/nfs/dbraw/zinc/62/40/57/840624057.db2.gz	FHWXUMIHFALSRF-UHFFFAOYSA-N	-2	1	365.389	-0.652	20	0		FBADML
NC(=O)c1[nH]ncc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189914333	840703066	/nfs/dbraw/zinc/70/30/66/840703066.db2.gz	INNYAVWTWYMQLY-UHFFFAOYSA-N	-2	1	354.300	-0.294	20	0		FBADML
O=C([O-])c1cc(C(=O)N[C@@H](CO)Cc2cnc[nH]2)cc(S(=O)(=O)[O-])c1	ZINC001189933902	840705769	/nfs/dbraw/zinc/70/57/69/840705769.db2.gz	PAZJAHTWYLTFJI-LLVKDONJSA-N	-2	1	369.355	-0.312	20	0		FBADML
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccn1	ZINC001192686750	840952805	/nfs/dbraw/zinc/95/28/05/840952805.db2.gz	YMCDUAUVWORCKP-UHFFFAOYSA-N	-2	1	351.340	-0.133	20	0		FBADML
NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC001193261687	841019833	/nfs/dbraw/zinc/01/98/33/841019833.db2.gz	NACVTNLERDDRGC-JTQLQIEISA-N	-2	1	363.417	-0.036	20	0		FBADML
NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC001193261691	841019140	/nfs/dbraw/zinc/01/91/40/841019140.db2.gz	NACVTNLERDDRGC-SNVBAGLBSA-N	-2	1	363.417	-0.036	20	0		FBADML
COC(=O)c1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)[n-]n1	ZINC001194288495	841144249	/nfs/dbraw/zinc/14/42/49/841144249.db2.gz	FWABQYODVRSYAH-UHFFFAOYSA-N	-2	1	350.312	-0.119	20	0		FBADML
C[C@H]1[C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C(=O)N1S(=O)(=O)[O-]	ZINC001197616060	841473496	/nfs/dbraw/zinc/47/34/96/841473496.db2.gz	IRSWKYFDUPIRDO-WKEGUHRASA-N	-2	1	370.355	-0.214	20	0		FBADML
C=CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O	ZINC001198569620	841570500	/nfs/dbraw/zinc/57/05/00/841570500.db2.gz	IZIAHIQAWKSWRO-UHFFFAOYSA-N	-2	1	363.292	-0.137	20	0		FBADML
CO[N-]C(=O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC001213912498	844415928	/nfs/dbraw/zinc/41/59/28/844415928.db2.gz	FEAVQSPYWHNURY-UHFFFAOYSA-N	-2	1	355.369	-0.847	20	0		FBADML
CCCCCCn1cc(S(=O)(=O)[N-]CC(=O)[N-]OC)c(=O)[nH]c1=O	ZINC001213913196	844415909	/nfs/dbraw/zinc/41/59/09/844415909.db2.gz	XDWTXXGRCROMKR-UHFFFAOYSA-N	-2	1	362.408	-0.515	20	0		FBADML
[NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220220839	845168326	/nfs/dbraw/zinc/16/83/26/845168326.db2.gz	HHIZELJYNYBHRN-ZETCQYMHSA-N	-2	1	365.245	-0.612	20	0		FBADML
O=[P@]([O-])(O)CCCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001225023545	845797676	/nfs/dbraw/zinc/79/76/76/845797676.db2.gz	XWEPGSJIJZUOFE-LLVKDONJSA-N	-2	1	361.353	-0.451	20	0		FBADML
O=[P@]([O-])(O)CCCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001225023546	845797457	/nfs/dbraw/zinc/79/74/57/845797457.db2.gz	XWEPGSJIJZUOFE-NSHDSACASA-N	-2	1	361.353	-0.451	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1C(F)(F)F)[C@@H](O)C(=O)[O-]	ZINC001225577012	845805420	/nfs/dbraw/zinc/80/54/20/845805420.db2.gz	QWIGOEAKAHQTHK-AWFVSMACSA-N	-3	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1C(F)(F)F)[C@@H](O)C(=O)[O-]	ZINC001225577017	845805544	/nfs/dbraw/zinc/80/55/44/845805544.db2.gz	QWIGOEAKAHQTHK-BBIVZNJYSA-N	-3	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1C(F)(F)F)[C@H](O)C(=O)[O-]	ZINC001225577019	845804858	/nfs/dbraw/zinc/80/48/58/845804858.db2.gz	QWIGOEAKAHQTHK-CVYQJGLWSA-N	-3	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1C(F)(F)F)[C@H](O)C(=O)[O-]	ZINC001225577021	845805470	/nfs/dbraw/zinc/80/54/70/845805470.db2.gz	QWIGOEAKAHQTHK-DZSWIPIPSA-N	-3	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[nH]1)[C@@H](O)C(=O)[O-]	ZINC001225978448	845813980	/nfs/dbraw/zinc/81/39/80/845813980.db2.gz	RHKFDANPLFSWST-CLTAVNFZSA-N	-2	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[nH]1)[C@H](O)C(=O)[O-]	ZINC001225978450	845814370	/nfs/dbraw/zinc/81/43/70/845814370.db2.gz	RHKFDANPLFSWST-NFNCENRGSA-N	-2	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[nH]1)[C@H](O)C(=O)[O-]	ZINC001225978451	845814034	/nfs/dbraw/zinc/81/40/34/845814034.db2.gz	RHKFDANPLFSWST-NOWQDGDBSA-N	-2	1	354.193	-0.357	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[nH]1)[C@@H](O)C(=O)[O-]	ZINC001225978452	845814349	/nfs/dbraw/zinc/81/43/49/845814349.db2.gz	RHKFDANPLFSWST-WVBDSBKLSA-N	-2	1	354.193	-0.357	20	0		FBADML
COc1cnc(=S)[n-]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001226242524	845820608	/nfs/dbraw/zinc/82/06/08/845820608.db2.gz	PAUWJXSXBMVEOB-SECBINFHSA-N	-2	1	365.433	-0.259	20	0		FBADML
COc1cnc(=S)[n-]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001226242525	845820910	/nfs/dbraw/zinc/82/09/10/845820910.db2.gz	PAUWJXSXBMVEOB-VIFPVBQESA-N	-2	1	365.433	-0.259	20	0		FBADML
COC(=O)c1ccc2[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c1	ZINC001226259887	845820994	/nfs/dbraw/zinc/82/09/94/845820994.db2.gz	WQUHCZGBSKTNRO-SECBINFHSA-N	-3	1	360.215	-0.275	20	0		FBADML
COC(=O)c1ccc2nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])[n-]c2c1	ZINC001226259887	845820984	/nfs/dbraw/zinc/82/09/84/845820984.db2.gz	WQUHCZGBSKTNRO-SECBINFHSA-N	-3	1	360.215	-0.275	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2ccc(F)cc21)[C@@H](O)C(=O)[O-]	ZINC001226407840	845824794	/nfs/dbraw/zinc/82/47/94/845824794.db2.gz	YTXDNFHTJQJDOX-GMSGAONNSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2ccc(F)cc21)[C@@H](O)C(=O)[O-]	ZINC001226407841	845824968	/nfs/dbraw/zinc/82/49/68/845824968.db2.gz	YTXDNFHTJQJDOX-OIBJUYFYSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2ccc(F)cc21)[C@H](O)C(=O)[O-]	ZINC001226407842	845825379	/nfs/dbraw/zinc/82/53/79/845825379.db2.gz	YTXDNFHTJQJDOX-XCBNKYQSSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2ccc(F)cc21)[C@H](O)C(=O)[O-]	ZINC001226407843	845825446	/nfs/dbraw/zinc/82/54/46/845825446.db2.gz	YTXDNFHTJQJDOX-XVKPBYJWSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c(=O)c1Br)[C@@H](O)C(=O)[O-]	ZINC001226720544	845834755	/nfs/dbraw/zinc/83/47/55/845834755.db2.gz	AKMCIBAZNISUOF-AWFVSMACSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1nc[nH]c(=O)c1Br)[C@@H](O)C(=O)[O-]	ZINC001226720545	845834703	/nfs/dbraw/zinc/83/47/03/845834703.db2.gz	AKMCIBAZNISUOF-BBIVZNJYSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c(=O)c1Br)[C@H](O)C(=O)[O-]	ZINC001226720548	845834172	/nfs/dbraw/zinc/83/41/72/845834172.db2.gz	AKMCIBAZNISUOF-CVYQJGLWSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1nc[nH]c(=O)c1Br)[C@H](O)C(=O)[O-]	ZINC001226720550	845834657	/nfs/dbraw/zinc/83/46/57/845834657.db2.gz	AKMCIBAZNISUOF-DZSWIPIPSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C(Oc1nc[nH]c(=O)c1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001226721146	845834469	/nfs/dbraw/zinc/83/44/69/845834469.db2.gz	GDUJWHHJBPAAOR-GSVOUGTGSA-N	-2	1	359.025	-0.680	20	0		FBADML
Cc1nc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Br	ZINC001226787383	845836897	/nfs/dbraw/zinc/83/68/97/845836897.db2.gz	HFJYPEJONQKUJS-SCSAIBSYSA-N	-2	1	373.052	-0.371	20	0		FBADML
O=C(Oc1n[nH]c(=O)cc1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001226848872	845838868	/nfs/dbraw/zinc/83/88/68/845838868.db2.gz	IGZXUVLHUQPLJZ-SCSAIBSYSA-N	-2	1	359.025	-0.680	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)cc1Br)[C@@H](O)C(=O)[O-]	ZINC001226849127	845838755	/nfs/dbraw/zinc/83/87/55/845838755.db2.gz	KMUGAIPTPNOHMR-CLTAVNFZSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)cc1Br)[C@H](O)C(=O)[O-]	ZINC001226849128	845838492	/nfs/dbraw/zinc/83/84/92/845838492.db2.gz	KMUGAIPTPNOHMR-NFNCENRGSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)cc1Br)[C@H](O)C(=O)[O-]	ZINC001226849129	845838510	/nfs/dbraw/zinc/83/85/10/845838510.db2.gz	KMUGAIPTPNOHMR-NOWQDGDBSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)cc1Br)[C@@H](O)C(=O)[O-]	ZINC001226849130	845838419	/nfs/dbraw/zinc/83/84/19/845838419.db2.gz	KMUGAIPTPNOHMR-WVBDSBKLSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C(Oc1[nH]c(=O)ncc1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001227138218	845846194	/nfs/dbraw/zinc/84/61/94/845846194.db2.gz	OUKKRIBEOVHVPL-SCSAIBSYSA-N	-2	1	359.025	-0.680	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1Br)[C@@H](O)C(=O)[O-]	ZINC001227138704	845845716	/nfs/dbraw/zinc/84/57/16/845845716.db2.gz	UJBLQSFXGRVSAT-AWFVSMACSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1Br)[C@@H](O)C(=O)[O-]	ZINC001227138705	845845483	/nfs/dbraw/zinc/84/54/83/845845483.db2.gz	UJBLQSFXGRVSAT-BBIVZNJYSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1Br)[C@H](O)C(=O)[O-]	ZINC001227138706	845846224	/nfs/dbraw/zinc/84/62/24/845846224.db2.gz	UJBLQSFXGRVSAT-CVYQJGLWSA-N	-2	1	365.092	-0.614	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1Br)[C@H](O)C(=O)[O-]	ZINC001227138707	845845532	/nfs/dbraw/zinc/84/55/32/845845532.db2.gz	UJBLQSFXGRVSAT-DZSWIPIPSA-N	-2	1	365.092	-0.614	20	0		FBADML
COCC(=O)c1ccc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227171502	845846039	/nfs/dbraw/zinc/84/60/39/845846039.db2.gz	DCFFKHDVNPNFBF-SNVBAGLBSA-N	-2	1	350.216	-0.403	20	0		FBADML
COCC(=O)c1ccc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227173499	845846121	/nfs/dbraw/zinc/84/61/21/845846121.db2.gz	YUTOAXQVSHPQSR-NOZJJQNGSA-N	-2	1	356.283	-0.337	20	0		FBADML
COCC(=O)c1ccc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227173500	845845968	/nfs/dbraw/zinc/84/59/68/845845968.db2.gz	YUTOAXQVSHPQSR-RNCFNFMXSA-N	-2	1	356.283	-0.337	20	0		FBADML
COCC(=O)c1ccc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227173501	845846019	/nfs/dbraw/zinc/84/60/19/845846019.db2.gz	YUTOAXQVSHPQSR-TVQRCGJNSA-N	-2	1	356.283	-0.337	20	0		FBADML
COCC(=O)c1ccc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227173502	845845694	/nfs/dbraw/zinc/84/56/94/845845694.db2.gz	YUTOAXQVSHPQSR-ZANVPECISA-N	-2	1	356.283	-0.337	20	0		FBADML
O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1[n-]c(=S)ncc1F	ZINC001227383674	845851577	/nfs/dbraw/zinc/85/15/77/845851577.db2.gz	QGXHJYYACXWRES-MRVPVSSYSA-N	-2	1	353.397	-0.128	20	0		FBADML
O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1[n-]c(=S)ncc1F	ZINC001227383677	845851685	/nfs/dbraw/zinc/85/16/85/845851685.db2.gz	QGXHJYYACXWRES-QMMMGPOBSA-N	-2	1	353.397	-0.128	20	0		FBADML
O=c1nc2c(c(O[C@H](CN3CCOCC3)CS(=O)(=O)[O-])[n-]1)COC2	ZINC001227690966	845857200	/nfs/dbraw/zinc/85/72/00/845857200.db2.gz	QLSDDXFTMUACAC-SECBINFHSA-N	-2	1	361.376	-0.820	20	0		FBADML
O=c1nc2c(c(O[C@@H](CN3CCOCC3)CS(=O)(=O)[O-])[n-]1)COC2	ZINC001227690975	845857262	/nfs/dbraw/zinc/85/72/62/845857262.db2.gz	QLSDDXFTMUACAC-VIFPVBQESA-N	-2	1	361.376	-0.820	20	0		FBADML
CSc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001228091216	845869156	/nfs/dbraw/zinc/86/91/56/845869156.db2.gz	XGVNLKOUJAUTME-SECBINFHSA-N	-2	1	365.433	-0.129	20	0		FBADML
CSc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001228091217	845869249	/nfs/dbraw/zinc/86/92/49/845869249.db2.gz	XGVNLKOUJAUTME-VIFPVBQESA-N	-2	1	365.433	-0.129	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)n1-c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001228133011	845869856	/nfs/dbraw/zinc/86/98/56/845869856.db2.gz	UVHROZVRSAAPHZ-PSASIEDQSA-N	-2	1	351.271	-0.585	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)n1-c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001228133012	845870442	/nfs/dbraw/zinc/87/04/42/845870442.db2.gz	UVHROZVRSAAPHZ-SCZZXKLOSA-N	-2	1	351.271	-0.585	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)n1-c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001228133014	845870101	/nfs/dbraw/zinc/87/01/01/845870101.db2.gz	UVHROZVRSAAPHZ-WCBMZHEXSA-N	-2	1	351.271	-0.585	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)n1-c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001228133016	845869765	/nfs/dbraw/zinc/86/97/65/845869765.db2.gz	UVHROZVRSAAPHZ-WPRPVWTQSA-N	-2	1	351.271	-0.585	20	0		FBADML
CCOC(=O)c1cnc(=S)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228552363	845882392	/nfs/dbraw/zinc/88/23/92/845882392.db2.gz	KSCXYMXKGHXZIM-SVGQVSJJSA-N	-3	1	374.327	-0.616	20	0		FBADML
CCOC(=O)c1cnc(=S)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228552378	845882472	/nfs/dbraw/zinc/88/24/72/845882472.db2.gz	KSCXYMXKGHXZIM-XNCJUZBTSA-N	-3	1	374.327	-0.616	20	0		FBADML
CCOC(=O)c1cnc(=S)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228552379	845882197	/nfs/dbraw/zinc/88/21/97/845882197.db2.gz	KSCXYMXKGHXZIM-XRGYYRRGSA-N	-3	1	374.327	-0.616	20	0		FBADML
CCOC(=O)c1cnc(=S)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228552381	845882256	/nfs/dbraw/zinc/88/22/56/845882256.db2.gz	KSCXYMXKGHXZIM-YLWLKBPMSA-N	-3	1	374.327	-0.616	20	0		FBADML
CCOC(=O)c1cnc(=S)[n-]c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228552924	845882291	/nfs/dbraw/zinc/88/22/91/845882291.db2.gz	QKQWMPLZHXDXMN-ZCFIWIBFSA-N	-3	1	368.260	-0.682	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc2oc(=O)ccc12)[C@@H](O)C(=O)[O-]	ZINC001229130886	845896922	/nfs/dbraw/zinc/89/69/22/845896922.db2.gz	FJHRHKCYIIVCHO-AMIZOPFISA-N	-3	1	352.251	-0.060	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc2oc(=O)ccc12)[C@@H](O)C(=O)[O-]	ZINC001229130887	845896536	/nfs/dbraw/zinc/89/65/36/845896536.db2.gz	FJHRHKCYIIVCHO-ISVAXAHUSA-N	-3	1	352.251	-0.060	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc2oc(=O)ccc12)[C@H](O)C(=O)[O-]	ZINC001229130888	845896473	/nfs/dbraw/zinc/89/64/73/845896473.db2.gz	FJHRHKCYIIVCHO-OQPBUACISA-N	-3	1	352.251	-0.060	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc2oc(=O)ccc12)[C@H](O)C(=O)[O-]	ZINC001229130889	845896436	/nfs/dbraw/zinc/89/64/36/845896436.db2.gz	FJHRHKCYIIVCHO-SDBXPKJASA-N	-3	1	352.251	-0.060	20	0		FBADML
COc1cccc2nc(=O)[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21	ZINC001229243864	845900081	/nfs/dbraw/zinc/90/00/81/845900081.db2.gz	XUAWKKNTWZPVDA-SSDOTTSWSA-N	-3	1	360.215	-0.280	20	0		FBADML
COc1c(=O)[n-]c(C)nc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001230021037	845917623	/nfs/dbraw/zinc/91/76/23/845917623.db2.gz	KOEMOLMBPVXPPO-JTQLQIEISA-N	-2	1	363.392	-0.533	20	0		FBADML
COc1c(=O)[n-]c(C)nc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001230021040	845917755	/nfs/dbraw/zinc/91/77/55/845917755.db2.gz	KOEMOLMBPVXPPO-SNVBAGLBSA-N	-2	1	363.392	-0.533	20	0		FBADML
CN1CC[C@@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1	ZINC001230147190	845921914	/nfs/dbraw/zinc/92/19/14/845921914.db2.gz	SKGZEFMUYMRMCQ-SSDOTTSWSA-N	-2	1	353.374	-0.032	20	0		FBADML
CN1CC[C@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1	ZINC001230147191	845922439	/nfs/dbraw/zinc/92/24/39/845922439.db2.gz	SKGZEFMUYMRMCQ-ZETCQYMHSA-N	-2	1	353.374	-0.032	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2cc(F)ccc21)[C@@H](O)C(=O)[O-]	ZINC001230882435	845942485	/nfs/dbraw/zinc/94/24/85/845942485.db2.gz	FQTALCZYRXDEPV-GMSGAONNSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2cc(F)ccc21)[C@@H](O)C(=O)[O-]	ZINC001230882444	845942632	/nfs/dbraw/zinc/94/26/32/845942632.db2.gz	FQTALCZYRXDEPV-OIBJUYFYSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2cc(F)ccc21)[C@H](O)C(=O)[O-]	ZINC001230882445	845942508	/nfs/dbraw/zinc/94/25/08/845942508.db2.gz	FQTALCZYRXDEPV-XCBNKYQSSA-N	-2	1	354.246	-0.084	20	0		FBADML
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2cc(F)ccc21)[C@H](O)C(=O)[O-]	ZINC001230882447	845942940	/nfs/dbraw/zinc/94/29/40/845942940.db2.gz	FQTALCZYRXDEPV-XVKPBYJWSA-N	-2	1	354.246	-0.084	20	0		FBADML
COC(=O)c1cccc2[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc21	ZINC001234042622	846008894	/nfs/dbraw/zinc/00/88/94/846008894.db2.gz	AHOOSUYKJJLIIY-MRVPVSSYSA-N	-3	1	360.215	-0.275	20	0		FBADML
Cc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Br)c(=O)[nH]1	ZINC001234569774	846016900	/nfs/dbraw/zinc/01/69/00/846016900.db2.gz	UAXMWXHZTCSBDS-SCSAIBSYSA-N	-2	1	373.052	-0.371	20	0		FBADML
COC(=O)c1cc(F)c(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234606429	846016889	/nfs/dbraw/zinc/01/68/89/846016889.db2.gz	BSEGWUBREFLABY-NVNXEXLPSA-N	-2	1	361.234	-0.845	20	0		FBADML
COC(=O)c1cc(F)c(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234606430	846016994	/nfs/dbraw/zinc/01/69/94/846016994.db2.gz	BSEGWUBREFLABY-RNHFCUEFSA-N	-2	1	361.234	-0.845	20	0		FBADML
COC(=O)c1cc(F)c(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234606431	846017092	/nfs/dbraw/zinc/01/70/92/846017092.db2.gz	BSEGWUBREFLABY-SPGJFGJESA-N	-2	1	361.234	-0.845	20	0		FBADML
COC(=O)c1cc(F)c(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234606432	846016849	/nfs/dbraw/zinc/01/68/49/846016849.db2.gz	BSEGWUBREFLABY-VHWMUFPASA-N	-2	1	361.234	-0.845	20	0		FBADML
COC(=O)c1cc(F)c(=O)[nH]c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234606911	846016668	/nfs/dbraw/zinc/01/66/68/846016668.db2.gz	ROMPUDLOIMHEPG-ZCFIWIBFSA-N	-2	1	355.167	-0.912	20	0		FBADML
C[C@H](Cn1cnc2c1ncnc2NC[C@H](O)CO)OCP(=O)([O-])[O-]	ZINC001252054180	846173285	/nfs/dbraw/zinc/17/32/85/846173285.db2.gz	NXUOQHBWUMTZCV-BDAKNGLRSA-N	-2	1	361.295	-0.868	20	0		FBADML
C[C@H](Cn1cnc2c1ncnc2[N-]S(C)(=O)=O)OCP(=O)([O-])[O-]	ZINC001252634789	846194612	/nfs/dbraw/zinc/19/46/12/846194612.db2.gz	DDXUMMXVDNOSMF-SSDOTTSWSA-N	-3	1	365.308	-0.262	20	0		FBADML
C[C@H](Cn1cnc2c1ncnc2[N-]S(C)(=O)=O)OC[P@](=O)([O-])O	ZINC001252634789	846194606	/nfs/dbraw/zinc/19/46/06/846194606.db2.gz	DDXUMMXVDNOSMF-SSDOTTSWSA-N	-2	1	365.308	-0.262	20	0		FBADML
CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOCP(=O)([O-])[O-]	ZINC001252635245	846195097	/nfs/dbraw/zinc/19/50/97/846195097.db2.gz	MOLMFFMFBGUUAG-UHFFFAOYSA-N	-3	1	351.281	-0.650	20	0		FBADML
CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@](=O)([O-])O	ZINC001252635245	846195091	/nfs/dbraw/zinc/19/50/91/846195091.db2.gz	MOLMFFMFBGUUAG-UHFFFAOYSA-N	-2	1	351.281	-0.650	20	0		FBADML
COC[C@@H](O)CNc1ncnc2c1ncn2CCOCP(=O)([O-])[O-]	ZINC001252811758	846200030	/nfs/dbraw/zinc/20/00/30/846200030.db2.gz	UJZMZFDZBFDUIT-VIFPVBQESA-N	-2	1	361.295	-0.603	20	0		FBADML
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001258452682	846419322	/nfs/dbraw/zinc/41/93/22/846419322.db2.gz	NQSZVQBAXINCHQ-WDSKDSINSA-N	-2	1	372.812	-0.938	20	0		FBADML
COC(=O)CS(=O)(=O)[N-]c1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001259026920	846431853	/nfs/dbraw/zinc/43/18/53/846431853.db2.gz	XGAUEXIHWHUYLR-UHFFFAOYSA-N	-2	1	364.401	-0.780	20	0		FBADML
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CS(=O)(=O)CS(=O)(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001260596716	846473112	/nfs/dbraw/zinc/47/31/12/846473112.db2.gz	OPRHUYWYCZQYDN-UHFFFAOYSA-N	-2	1	369.357	-0.419	20	0		FBADML
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NC(=O)c1[nH]nc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])CC2	ZINC001271396218	836348574	/nfs/dbraw/zinc/34/85/74/836348574.db2.gz	BXKKUYCNYVIAJF-UHFFFAOYSA-N	-2	1	366.355	-0.341	20	0		FBADML
NC(=O)c1cn2c(n1)CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])CC2	ZINC001271396394	836348821	/nfs/dbraw/zinc/34/88/21/836348821.db2.gz	FLSXIYKFBFWXKY-UHFFFAOYSA-N	-2	1	366.355	-0.410	20	0		FBADML
NC(=O)c1cnc2n1CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2	ZINC001271396674	836348600	/nfs/dbraw/zinc/34/86/00/836348600.db2.gz	JZLVALYOSDPKKS-UHFFFAOYSA-N	-2	1	366.355	-0.410	20	0		FBADML
NC(=O)[C@H]1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)O1	ZINC001271396854	836348742	/nfs/dbraw/zinc/34/87/42/836348742.db2.gz	NNXWAPHVSGDRRE-LLVKDONJSA-N	-2	1	356.356	-0.502	20	0		FBADML
NC(=O)[C@@H]1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)O1	ZINC001271396855	836349002	/nfs/dbraw/zinc/34/90/02/836349002.db2.gz	NNXWAPHVSGDRRE-NSHDSACASA-N	-2	1	356.356	-0.502	20	0		FBADML
NC(=O)C[C@H]1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@@H]2O1	ZINC001271397036	836348655	/nfs/dbraw/zinc/34/86/55/836348655.db2.gz	QNMIFMCRAXAJMP-KKFJDGPESA-N	-2	1	370.383	-0.256	20	0		FBADML
NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@@H]2O1	ZINC001271397037	836348314	/nfs/dbraw/zinc/34/83/14/836348314.db2.gz	QNMIFMCRAXAJMP-ZDMBXUJBSA-N	-2	1	370.383	-0.256	20	0		FBADML
NC(=O)c1[nH]nc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2	ZINC001271397144	836348359	/nfs/dbraw/zinc/34/83/59/836348359.db2.gz	SFNQFGCYONBNLF-UHFFFAOYSA-N	-2	1	352.328	-0.383	20	0		FBADML
NC(=O)[C@H]1COCCC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2	ZINC001271397188	836349120	/nfs/dbraw/zinc/34/91/20/836349120.db2.gz	TWPDQNSVKQTSFY-LLVKDONJSA-N	-2	1	370.383	-0.397	20	0		FBADML
NC(=O)[C@@H]1COCCC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2	ZINC001271397190	836348337	/nfs/dbraw/zinc/34/83/37/836348337.db2.gz	TWPDQNSVKQTSFY-NSHDSACASA-N	-2	1	370.383	-0.397	20	0		FBADML
NC(=O)c1noc2c1CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])CC2	ZINC001271397287	836348846	/nfs/dbraw/zinc/34/88/46/836348846.db2.gz	WOQIKGKEQXMUGN-UHFFFAOYSA-N	-2	1	367.339	-0.076	20	0		FBADML
NC(=O)c1[nH]nc2c1CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2	ZINC001271397294	836349092	/nfs/dbraw/zinc/34/90/92/836349092.db2.gz	WWKSTTWGFIYNSB-UHFFFAOYSA-N	-2	1	366.355	-0.341	20	0		FBADML
CN1CC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)OCC1=O	ZINC001272069985	836443316	/nfs/dbraw/zinc/44/33/16/836443316.db2.gz	FRXUZUVPCZZFJY-UHFFFAOYSA-N	-2	1	356.356	-0.678	20	0		FBADML
CN1C[C@]2(CCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)OCC1=O	ZINC001272070022	836443407	/nfs/dbraw/zinc/44/34/07/836443407.db2.gz	GVLBAYRFCWZIRB-HNNXBMFYSA-N	-2	1	370.383	-0.288	20	0		FBADML
CN1C[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)OCC1=O	ZINC001272070025	836443247	/nfs/dbraw/zinc/44/32/47/836443247.db2.gz	GVLBAYRFCWZIRB-OAHLLOKOSA-N	-2	1	370.383	-0.288	20	0		FBADML
CN1C(=O)COCC12CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2	ZINC001272070759	836443528	/nfs/dbraw/zinc/44/35/28/836443528.db2.gz	PMCLILAMJBKHLG-UHFFFAOYSA-N	-2	1	356.356	-0.678	20	0		FBADML
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1	ZINC001302936350	848117856	/nfs/dbraw/zinc/11/78/56/848117856.db2.gz	HNIWFUIKSYSRCO-SECBINFHSA-N	-2	1	366.403	-0.215	20	0		FBADML
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1	ZINC001302936353	848117562	/nfs/dbraw/zinc/11/75/62/848117562.db2.gz	HNIWFUIKSYSRCO-VIFPVBQESA-N	-2	1	366.403	-0.215	20	0		FBADML
Cc1cc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001304214452	848147455	/nfs/dbraw/zinc/14/74/55/848147455.db2.gz	SLLIUSXJAHLVQU-DTORHVGOSA-N	-2	1	364.383	-0.139	20	0		FBADML
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC1(C(=O)[O-])CC1	ZINC001319965781	848501501	/nfs/dbraw/zinc/50/15/01/848501501.db2.gz	YYVSIIICLCNXIN-UHFFFAOYSA-N	-2	1	350.375	-0.007	20	0		FBADML
Cn1cnc(S(=O)(=O)[N-][C@H](CN2CCOCC2)C(=O)[O-])c1Cl	ZINC001320449731	848538178	/nfs/dbraw/zinc/53/81/78/848538178.db2.gz	IYLSHMVDQKEQJG-MRVPVSSYSA-N	-2	1	352.800	-0.863	20	0		FBADML
Cn1cnc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)C(=O)[O-])c1Cl	ZINC001320449732	848538410	/nfs/dbraw/zinc/53/84/10/848538410.db2.gz	IYLSHMVDQKEQJG-QMMMGPOBSA-N	-2	1	352.800	-0.863	20	0		FBADML
COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-]	ZINC001321448686	848634068	/nfs/dbraw/zinc/63/40/68/848634068.db2.gz	UWHZACKDTPRHDE-MRVPVSSYSA-N	-2	1	352.315	-0.030	20	0		FBADML
Cc1nc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)c(Br)n1C	ZINC001324157790	849002257	/nfs/dbraw/zinc/00/22/57/849002257.db2.gz	MVBXZPKANJBFBO-UHFFFAOYSA-N	-2	1	352.170	-0.354	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CN2CCOCC2)C(=O)[O-])o1	ZINC001324191960	849006261	/nfs/dbraw/zinc/00/62/61/849006261.db2.gz	LQFKCOMOMZEBFH-SECBINFHSA-N	-2	1	362.360	-0.870	20	0		FBADML
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)C(=O)[O-])o1	ZINC001324191961	849006111	/nfs/dbraw/zinc/00/61/11/849006111.db2.gz	LQFKCOMOMZEBFH-VIFPVBQESA-N	-2	1	362.360	-0.870	20	0		FBADML
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO[C@@H]1CCOC1	ZINC001327499705	849437340	/nfs/dbraw/zinc/43/73/40/849437340.db2.gz	QQRSPOKEDXPPFT-KKZNHRDASA-N	-2	1	368.308	-0.085	20	0		FBADML
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO[C@H]1CCOC1	ZINC001327499707	849437334	/nfs/dbraw/zinc/43/73/34/849437334.db2.gz	QQRSPOKEDXPPFT-NGZCFLSTSA-N	-2	1	368.308	-0.085	20	0		FBADML
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO[C@H]1CCOC1	ZINC001327499708	849437312	/nfs/dbraw/zinc/43/73/12/849437312.db2.gz	QQRSPOKEDXPPFT-QXEWZRGKSA-N	-2	1	368.308	-0.085	20	0		FBADML
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO[C@@H]1CCOC1	ZINC001327499709	849437234	/nfs/dbraw/zinc/43/72/34/849437234.db2.gz	QQRSPOKEDXPPFT-YWVKMMECSA-N	-2	1	368.308	-0.085	20	0		FBADML
CN1CCO[C@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1	ZINC001327945987	849505391	/nfs/dbraw/zinc/50/53/91/849505391.db2.gz	MTILROAOFCSOHU-GUBZILKMSA-N	-2	1	367.324	-0.560	20	0		FBADML
CN1CCO[C@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1	ZINC001327945988	849505490	/nfs/dbraw/zinc/50/54/90/849505490.db2.gz	MTILROAOFCSOHU-KXUCPTDWSA-N	-2	1	367.324	-0.560	20	0		FBADML
CN1CCO[C@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1	ZINC001327945989	849505602	/nfs/dbraw/zinc/50/56/02/849505602.db2.gz	MTILROAOFCSOHU-LPEHRKFASA-N	-2	1	367.324	-0.560	20	0		FBADML
CN1CCO[C@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1	ZINC001327945990	849505674	/nfs/dbraw/zinc/50/56/74/849505674.db2.gz	MTILROAOFCSOHU-UTLUCORTSA-N	-2	1	367.324	-0.560	20	0		FBADML
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC001332550457	850236393	/nfs/dbraw/zinc/23/63/93/850236393.db2.gz	PKOGTUSHCGATEN-UHFFFAOYSA-N	-2	1	350.301	-0.533	20	0		FBADML
COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-]	ZINC001339299905	850928563	/nfs/dbraw/zinc/92/85/63/850928563.db2.gz	AZVGNGQTDAYTLG-UHFFFAOYSA-N	-2	1	352.315	-0.157	20	0		FBADML
Cn1[nH]c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1=O	ZINC001347145249	851761623	/nfs/dbraw/zinc/76/16/23/851761623.db2.gz	IUAFYQAGYDOXCU-HTRCEHHLSA-N	-2	1	351.285	-0.796	20	0		FBADML
Cn1[nH]c(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1=O	ZINC001347145250	851761466	/nfs/dbraw/zinc/76/14/66/851761466.db2.gz	IUAFYQAGYDOXCU-POYBYMJQSA-N	-2	1	351.285	-0.796	20	0		FBADML
Cn1[nH]c(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1=O	ZINC001347145252	851761441	/nfs/dbraw/zinc/76/14/41/851761441.db2.gz	IUAFYQAGYDOXCU-SVRRBLITSA-N	-2	1	351.285	-0.796	20	0		FBADML
Cn1[nH]c(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1=O	ZINC001347145253	851761683	/nfs/dbraw/zinc/76/16/83/851761683.db2.gz	IUAFYQAGYDOXCU-XPUUQOCRSA-N	-2	1	351.285	-0.796	20	0		FBADML
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