smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000009873576	661335221	/nfs/dbraw/zinc/33/52/21/661335221.db2.gz	BJHKDCXWLITHFX-UHFFFAOYSA-N	-2	0	359.367	-0.177	20	0		FBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013027340	661381620	/nfs/dbraw/zinc/38/16/20/661381620.db2.gz	KWKCVDIXQWGPAH-QMMMGPOBSA-N	-3	0	361.328	-0.010	20	0		FBADRL
CC(C)CC(=O)N[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000023990450	483498467	/nfs/dbraw/zinc/49/84/67/483498467.db2.gz	GQMQBDHUGMNECH-UHFFFAOYSA-N	-2	0	357.388	-0.143	20	0		FBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC000042793335	484407773	/nfs/dbraw/zinc/40/77/73/484407773.db2.gz	JOJXLBDCZUSRNE-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)ccc1O	ZINC000047522105	661734747	/nfs/dbraw/zinc/73/47/47/661734747.db2.gz	OUXBGURSIVKMRW-UHFFFAOYSA-N	-2	0	352.328	-0.408	20	0		FBADRL
CCS(=O)(=O)CC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000053790944	658800677	/nfs/dbraw/zinc/80/06/77/658800677.db2.gz	ZSMZKKSCFRCAAH-UHFFFAOYSA-N	-2	0	352.372	-0.226	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]NC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000055575950	660100699	/nfs/dbraw/zinc/10/06/99/660100699.db2.gz	JNUFPKWJRLOATD-SNVBAGLBSA-N	-2	0	362.429	-0.252	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]NC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000055575951	660100642	/nfs/dbraw/zinc/10/06/42/660100642.db2.gz	JNUFPKWJRLOATD-JTQLQIEISA-N	-2	0	362.429	-0.252	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)cc1C(=O)[O-]	ZINC000055579871	600542440	/nfs/dbraw/zinc/54/24/40/600542440.db2.gz	BMXVCERTDLWUIJ-UHFFFAOYSA-N	-3	0	352.328	-0.193	20	0		FBADRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1CCCO1	ZINC000057118184	484424945	/nfs/dbraw/zinc/42/49/45/484424945.db2.gz	SYRVOOKZCCYLDG-NSHDSACASA-N	-2	0	358.372	-0.189	20	0		FBADRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCCO1	ZINC000057118185	484425054	/nfs/dbraw/zinc/42/50/54/484425054.db2.gz	SYRVOOKZCCYLDG-LLVKDONJSA-N	-2	0	358.372	-0.189	20	0		FBADRL
CNC(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000057124741	660102563	/nfs/dbraw/zinc/10/25/63/660102563.db2.gz	ODNMLZJYVLLCFE-MRVPVSSYSA-N	-2	0	356.360	-0.754	20	0		FBADRL
CNC(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000057124742	660102525	/nfs/dbraw/zinc/10/25/25/660102525.db2.gz	ODNMLZJYVLLCFE-QMMMGPOBSA-N	-2	0	356.360	-0.754	20	0		FBADRL
COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000064940855	484439420	/nfs/dbraw/zinc/43/94/20/484439420.db2.gz	XSVHOPQYGXMHFH-UHFFFAOYSA-N	-2	0	361.376	-0.072	20	0		FBADRL
CN(CC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])S(C)(=O)=O	ZINC000066042799	658244896	/nfs/dbraw/zinc/24/48/96/658244896.db2.gz	LHRDMJQNILBUOD-UHFFFAOYSA-N	-2	0	367.387	-0.770	20	0		FBADRL
CC(C)NC(=O)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000069901822	484468514	/nfs/dbraw/zinc/46/85/14/484468514.db2.gz	LQZKYBYWFIFDLV-UHFFFAOYSA-N	-2	0	363.779	-0.128	20	0		FBADRL
C[C@H](NS(C)(=O)=O)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000115871432	662150034	/nfs/dbraw/zinc/15/00/34/662150034.db2.gz	HDAGRKGGTFDRMS-VIFPVBQESA-N	-2	0	367.387	-0.723	20	0		FBADRL
C[C@@H](NS(C)(=O)=O)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000115871434	662150084	/nfs/dbraw/zinc/15/00/84/662150084.db2.gz	HDAGRKGGTFDRMS-SECBINFHSA-N	-2	0	367.387	-0.723	20	0		FBADRL
CCNC(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000145072299	841754028	/nfs/dbraw/zinc/75/40/28/841754028.db2.gz	INKNPNXNAXAXNB-SECBINFHSA-N	-2	0	370.387	-0.364	20	0		FBADRL
CCNC(=O)N[N-]S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000145072512	841754007	/nfs/dbraw/zinc/75/40/07/841754007.db2.gz	INKNPNXNAXAXNB-VIFPVBQESA-N	-2	0	370.387	-0.364	20	0		FBADRL
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])cnc21	ZINC000261757173	243284535	/nfs/dbraw/zinc/28/45/35/243284535.db2.gz	XEBOWUAMGDMUFW-UHFFFAOYSA-N	-2	0	370.387	-0.044	20	0		FBADRL
CC(C)C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-]	ZINC000261770247	243283429	/nfs/dbraw/zinc/28/34/29/243283429.db2.gz	ZBUXGUBCYFEFLU-SNVBAGLBSA-N	-2	0	370.387	-0.188	20	0		FBADRL
CC(C)[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-]	ZINC000261770251	243283869	/nfs/dbraw/zinc/28/38/69/243283869.db2.gz	ZBWUQDZSMPKVEC-SECBINFHSA-N	-2	0	356.360	-0.578	20	0		FBADRL
CC(C)[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-]	ZINC000261770259	243282623	/nfs/dbraw/zinc/28/26/23/243282623.db2.gz	ZBWUQDZSMPKVEC-VIFPVBQESA-N	-2	0	356.360	-0.578	20	0		FBADRL
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000262429894	243316583	/nfs/dbraw/zinc/31/65/83/243316583.db2.gz	BPBGCQVEYQWVSR-SSDOTTSWSA-N	-2	0	354.344	-0.079	20	0		FBADRL
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000262431116	243316649	/nfs/dbraw/zinc/31/66/49/243316649.db2.gz	BPBGCQVEYQWVSR-ZETCQYMHSA-N	-2	0	354.344	-0.079	20	0		FBADRL
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000262463566	243319206	/nfs/dbraw/zinc/31/92/06/243319206.db2.gz	SPHQBDHSSHTPHT-CYBMUJFWSA-N	-2	0	354.344	-0.079	20	0		FBADRL
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000262463571	243318967	/nfs/dbraw/zinc/31/89/67/243318967.db2.gz	SPHQBDHSSHTPHT-ZDUSSCGKSA-N	-2	0	354.344	-0.079	20	0		FBADRL
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCC(=O)[O-]	ZINC000262497387	243321794	/nfs/dbraw/zinc/32/17/94/243321794.db2.gz	YMBUIDCPOYIYEQ-UHFFFAOYSA-N	-2	0	352.390	-0.180	20	0		FBADRL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2cn(CC(=O)[O-])nn2)c1	ZINC000262833345	243338954	/nfs/dbraw/zinc/33/89/54/243338954.db2.gz	RWSMJJINGVXESX-UHFFFAOYSA-N	-2	0	367.387	-0.027	20	0		FBADRL
COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000264460099	243396299	/nfs/dbraw/zinc/39/62/99/243396299.db2.gz	GOQMBUWYUOWIPQ-VIFPVBQESA-N	-2	0	360.344	-0.140	20	0		FBADRL
COc1ncnc(OC)c1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1	ZINC000264655984	484326064	/nfs/dbraw/zinc/32/60/64/484326064.db2.gz	HOENPUTWFJCUFE-UHFFFAOYSA-N	-2	0	360.377	-0.031	20	0		FBADRL
O=C([N-]Cc1nc[nH]n1)C(F)(F)C(F)(F)C(=O)[N-]Cc1nc[nH]n1	ZINC000266377788	484410855	/nfs/dbraw/zinc/41/08/55/484410855.db2.gz	SUJKGUMCZBWTKM-UHFFFAOYSA-N	-2	0	350.236	-0.874	20	0		FBADRL
COCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000270405862	483506303	/nfs/dbraw/zinc/50/63/03/483506303.db2.gz	ASVPAVKLAYNHTO-UHFFFAOYSA-N	-2	0	358.332	-0.842	20	0		FBADRL
CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC)c2)cc1C(=O)[O-]	ZINC000270991397	660526550	/nfs/dbraw/zinc/52/65/50/660526550.db2.gz	AEYQVCMIKFIMGY-UHFFFAOYSA-N	-2	0	355.376	-0.051	20	0		FBADRL
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000274876352	243956847	/nfs/dbraw/zinc/95/68/47/243956847.db2.gz	BTZRKBLANUAUAN-SECBINFHSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000274876354	485276093	/nfs/dbraw/zinc/27/60/93/485276093.db2.gz	BTZRKBLANUAUAN-VIFPVBQESA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274879447	483661801	/nfs/dbraw/zinc/66/18/01/483661801.db2.gz	CKRDVRHEIQEMKU-JTQLQIEISA-N	-2	0	365.385	-0.314	20	0		FBADRL
CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274879450	483661720	/nfs/dbraw/zinc/66/17/20/483661720.db2.gz	CKRDVRHEIQEMKU-SNVBAGLBSA-N	-2	0	365.385	-0.314	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-]	ZINC000274879473	483661739	/nfs/dbraw/zinc/66/17/39/483661739.db2.gz	CLKAHVHAWFBEEZ-JTQLQIEISA-N	-2	0	358.328	-0.151	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)[O-]	ZINC000274879475	483662100	/nfs/dbraw/zinc/66/21/00/483662100.db2.gz	CLKAHVHAWFBEEZ-SNVBAGLBSA-N	-2	0	358.328	-0.151	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-]	ZINC000274894260	243960957	/nfs/dbraw/zinc/96/09/57/243960957.db2.gz	GOJRYRRYICTEPJ-SECBINFHSA-N	-2	0	360.319	-0.083	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-]	ZINC000274894265	483661716	/nfs/dbraw/zinc/66/17/16/483661716.db2.gz	GOJRYRRYICTEPJ-VIFPVBQESA-N	-2	0	360.319	-0.083	20	0		FBADRL
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274898350	243959924	/nfs/dbraw/zinc/95/99/24/243959924.db2.gz	HLXOUWOQEYIXNA-LLVKDONJSA-N	-2	0	356.356	-0.198	20	0		FBADRL
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274898351	485276209	/nfs/dbraw/zinc/27/62/09/485276209.db2.gz	HLXOUWOQEYIXNA-NSHDSACASA-N	-2	0	356.356	-0.198	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274910043	485277529	/nfs/dbraw/zinc/27/75/29/485277529.db2.gz	KIYWPYQBOWLTHA-SECBINFHSA-N	-2	0	351.358	-0.704	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274910045	485277613	/nfs/dbraw/zinc/27/76/13/485277613.db2.gz	KIYWPYQBOWLTHA-VIFPVBQESA-N	-2	0	351.358	-0.704	20	0		FBADRL
CN1C(=O)Cc2cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274916138	483662524	/nfs/dbraw/zinc/66/25/24/483662524.db2.gz	ACYXLESMTMIPKD-SECBINFHSA-N	-2	0	356.356	-0.341	20	0		FBADRL
CN1C(=O)Cc2cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274916139	483662586	/nfs/dbraw/zinc/66/25/86/483662586.db2.gz	ACYXLESMTMIPKD-VIFPVBQESA-N	-2	0	356.356	-0.341	20	0		FBADRL
CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000274916789	483662609	/nfs/dbraw/zinc/66/26/09/483662609.db2.gz	LXJXDAUWNPRYNF-MRVPVSSYSA-N	-2	0	369.348	-0.565	20	0		FBADRL
CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000274916792	483662563	/nfs/dbraw/zinc/66/25/63/483662563.db2.gz	LXJXDAUWNPRYNF-QMMMGPOBSA-N	-2	0	369.348	-0.565	20	0		FBADRL
CSCC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274918381	483662755	/nfs/dbraw/zinc/66/27/55/483662755.db2.gz	MGHUFLDBYGBMTJ-MRVPVSSYSA-N	-2	0	374.400	-0.079	20	0		FBADRL
CSCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274918383	483662639	/nfs/dbraw/zinc/66/26/39/483662639.db2.gz	MGHUFLDBYGBMTJ-QMMMGPOBSA-N	-2	0	374.400	-0.079	20	0		FBADRL
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274920528	483662481	/nfs/dbraw/zinc/66/24/81/483662481.db2.gz	MTRDCYVLOQGHNJ-SECBINFHSA-N	-2	0	365.385	-0.395	20	0		FBADRL
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274920532	483662695	/nfs/dbraw/zinc/66/26/95/483662695.db2.gz	MTRDCYVLOQGHNJ-VIFPVBQESA-N	-2	0	365.385	-0.395	20	0		FBADRL
COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274920553	483662427	/nfs/dbraw/zinc/66/24/27/483662427.db2.gz	MUDCPCGHCMDAEE-MRVPVSSYSA-N	-2	0	361.328	-0.312	20	0		FBADRL
COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274920557	483662579	/nfs/dbraw/zinc/66/25/79/483662579.db2.gz	MUDCPCGHCMDAEE-QMMMGPOBSA-N	-2	0	361.328	-0.312	20	0		FBADRL
O=C([O-])CSCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000274920863	483662713	/nfs/dbraw/zinc/66/27/13/483662713.db2.gz	ATNHRIAPMCSQKN-UHFFFAOYSA-N	-2	0	360.373	-0.468	20	0		FBADRL
COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274923844	483662396	/nfs/dbraw/zinc/66/23/96/483662396.db2.gz	NJDGTTFNPBLBSW-RXMQYKEDSA-N	-2	0	367.357	-0.251	20	0		FBADRL
COC(=O)c1cc(OC)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274923848	483662446	/nfs/dbraw/zinc/66/24/46/483662446.db2.gz	NJDGTTFNPBLBSW-YFKPBYRVSA-N	-2	0	367.357	-0.251	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274923928	483662709	/nfs/dbraw/zinc/66/27/09/483662709.db2.gz	NKJKQXBSJOPACF-SECBINFHSA-N	-2	0	351.358	-0.704	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274923930	243963500	/nfs/dbraw/zinc/96/35/00/243963500.db2.gz	NKJKQXBSJOPACF-VIFPVBQESA-N	-2	0	351.358	-0.704	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000274924132	243963793	/nfs/dbraw/zinc/96/37/93/243963793.db2.gz	BRNOUYKFTWDECX-MRVPVSSYSA-N	-2	0	355.332	-0.884	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000274924134	483662723	/nfs/dbraw/zinc/66/27/23/483662723.db2.gz	BRNOUYKFTWDECX-QMMMGPOBSA-N	-2	0	355.332	-0.884	20	0		FBADRL
COC(=O)c1csc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274924291	483662503	/nfs/dbraw/zinc/66/25/03/483662503.db2.gz	BULWXSDMLCKLNS-LURJTMIESA-N	-2	0	351.358	-0.012	20	0		FBADRL
COC(=O)c1csc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274924292	483662417	/nfs/dbraw/zinc/66/24/17/483662417.db2.gz	BULWXSDMLCKLNS-ZCFIWIBFSA-N	-2	0	351.358	-0.012	20	0		FBADRL
CS(=O)(=O)CCS(=O)(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000274931370	485277182	/nfs/dbraw/zinc/27/71/82/485277182.db2.gz	OZRGTKHFBDJGET-UHFFFAOYSA-N	-2	0	351.358	-0.131	20	0		FBADRL
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000274934992	483662987	/nfs/dbraw/zinc/66/29/87/483662987.db2.gz	FAJFRALKUNRAFY-UHFFFAOYSA-N	-2	0	365.385	-0.442	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000274935015	243963293	/nfs/dbraw/zinc/96/32/93/243963293.db2.gz	FAOQUWTXELNMMN-UHFFFAOYSA-N	-2	0	356.356	-0.027	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000274935903	485277548	/nfs/dbraw/zinc/27/75/48/485277548.db2.gz	FENOPPMTXNYBLJ-UHFFFAOYSA-N	-2	0	351.358	-0.750	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc(F)c1F	ZINC000274935998	483663196	/nfs/dbraw/zinc/66/31/96/483663196.db2.gz	PYJXRFQOIOQJQB-MRVPVSSYSA-N	-2	0	367.282	-0.042	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc(F)c1F	ZINC000274936001	483662893	/nfs/dbraw/zinc/66/28/93/483662893.db2.gz	PYJXRFQOIOQJQB-QMMMGPOBSA-N	-2	0	367.282	-0.042	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274937292	483663150	/nfs/dbraw/zinc/66/31/50/483663150.db2.gz	FPLGSTACGHKQAB-MRVPVSSYSA-N	-2	0	365.385	-0.456	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274937294	483663116	/nfs/dbraw/zinc/66/31/16/483663116.db2.gz	FPLGSTACGHKQAB-QMMMGPOBSA-N	-2	0	365.385	-0.456	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2n(C)c1=O	ZINC000274938251	483663105	/nfs/dbraw/zinc/66/31/05/483663105.db2.gz	FTQQEGKNPBNCAX-UHFFFAOYSA-N	-2	0	357.344	-0.963	20	0		FBADRL
O=C([O-])[C@H]1CSCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000274939419	483663317	/nfs/dbraw/zinc/66/33/17/483663317.db2.gz	GANYLFLRFQCVHX-SSDOTTSWSA-N	-2	0	358.357	-0.416	20	0		FBADRL
O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000274939426	483663003	/nfs/dbraw/zinc/66/30/03/483663003.db2.gz	GANYLFLRFQCVHX-ZETCQYMHSA-N	-2	0	358.357	-0.416	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274941684	483663032	/nfs/dbraw/zinc/66/30/32/483663032.db2.gz	RCKWGXYEDVXZRW-SECBINFHSA-N	-2	0	364.401	-0.367	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274941688	483663027	/nfs/dbraw/zinc/66/30/27/483663027.db2.gz	RCKWGXYEDVXZRW-VIFPVBQESA-N	-2	0	364.401	-0.367	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000274942089	483663179	/nfs/dbraw/zinc/66/31/79/483663179.db2.gz	GOMFNMWBLIVPGD-MRVPVSSYSA-N	-2	0	355.332	-0.884	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000274942090	243963696	/nfs/dbraw/zinc/96/36/96/243963696.db2.gz	GOMFNMWBLIVPGD-QMMMGPOBSA-N	-2	0	355.332	-0.884	20	0		FBADRL
CC(=O)NCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1	ZINC000274943666	483663343	/nfs/dbraw/zinc/66/33/43/483663343.db2.gz	GVCNSEKWPUNCCP-UHFFFAOYSA-N	-2	0	350.374	-0.456	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274945589	483663245	/nfs/dbraw/zinc/66/32/45/483663245.db2.gz	RUBZNTDGBLUUCD-SSDOTTSWSA-N	-2	0	351.358	-0.330	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274945591	483663254	/nfs/dbraw/zinc/66/32/54/483663254.db2.gz	RUBZNTDGBLUUCD-ZETCQYMHSA-N	-2	0	351.358	-0.330	20	0		FBADRL
CCS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000274946032	483663063	/nfs/dbraw/zinc/66/30/63/483663063.db2.gz	HDKLWEYGOFVVOG-UHFFFAOYSA-N	-2	0	365.385	-0.360	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000274950705	483663719	/nfs/dbraw/zinc/66/37/19/483663719.db2.gz	SQTPKQYLJJYZKE-SECBINFHSA-N	-2	0	352.365	-0.545	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000274950707	243964580	/nfs/dbraw/zinc/96/45/80/243964580.db2.gz	SQTPKQYLJJYZKE-VIFPVBQESA-N	-2	0	352.365	-0.545	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000274957903	243964280	/nfs/dbraw/zinc/96/42/80/243964280.db2.gz	UPIDBMIMXCOCEX-MRVPVSSYSA-N	-2	0	369.348	-0.565	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000274957908	483663901	/nfs/dbraw/zinc/66/39/01/483663901.db2.gz	UPIDBMIMXCOCEX-QMMMGPOBSA-N	-2	0	369.348	-0.565	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1	ZINC000274958751	536367270	/nfs/dbraw/zinc/36/72/70/536367270.db2.gz	IWVASYFUPYMAMB-UHFFFAOYSA-N	-2	0	351.358	-0.377	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000274960468	483663692	/nfs/dbraw/zinc/66/36/92/483663692.db2.gz	JCXXCVXDVXVYBH-UHFFFAOYSA-N	-2	0	360.319	-0.130	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000274960483	243964173	/nfs/dbraw/zinc/96/41/73/243964173.db2.gz	JDPKLMMODABHOE-SECBINFHSA-N	-2	0	356.356	-0.574	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000274960484	243965105	/nfs/dbraw/zinc/96/51/05/243965105.db2.gz	JDPKLMMODABHOE-VIFPVBQESA-N	-2	0	356.356	-0.574	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1C	ZINC000274962619	483663783	/nfs/dbraw/zinc/66/37/83/483663783.db2.gz	BORTXYZYALKKLO-AWEZNQCLSA-N	-2	0	373.387	-0.675	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1C	ZINC000274962623	483664012	/nfs/dbraw/zinc/66/40/12/483664012.db2.gz	BORTXYZYALKKLO-CQSZACIVSA-N	-2	0	373.387	-0.675	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274966736	243965955	/nfs/dbraw/zinc/96/59/55/243965955.db2.gz	JXRHUXFNXQLBCK-BDAKNGLRSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274966737	483663625	/nfs/dbraw/zinc/66/36/25/483663625.db2.gz	JXRHUXFNXQLBCK-DTWKUNHWSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274966738	483663561	/nfs/dbraw/zinc/66/35/61/483663561.db2.gz	JXRHUXFNXQLBCK-IUCAKERBSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274966739	483663872	/nfs/dbraw/zinc/66/38/72/483663872.db2.gz	JXRHUXFNXQLBCK-RKDXNWHRSA-N	-2	0	352.365	-0.976	20	0		FBADRL
COC(=O)c1cc(OC)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1	ZINC000274970185	483663824	/nfs/dbraw/zinc/66/38/24/483663824.db2.gz	KIYNIOBIEUXRMS-UHFFFAOYSA-N	-2	0	367.357	-0.297	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2n(C)c1=O	ZINC000274974477	483664196	/nfs/dbraw/zinc/66/41/96/483664196.db2.gz	WUCJJXALNGFMHH-MRVPVSSYSA-N	-2	0	357.344	-0.917	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2n(C)c1=O	ZINC000274974480	483664238	/nfs/dbraw/zinc/66/42/38/483664238.db2.gz	WUCJJXALNGFMHH-QMMMGPOBSA-N	-2	0	357.344	-0.917	20	0		FBADRL
CC(=O)N1CCc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc21	ZINC000274980743	485277599	/nfs/dbraw/zinc/27/75/99/485277599.db2.gz	LOQNGXQEQDOXKA-UHFFFAOYSA-N	-2	0	356.356	-0.245	20	0		FBADRL
CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000274980990	243968663	/nfs/dbraw/zinc/96/86/63/243968663.db2.gz	XSMZWOLFOWEIDE-LLVKDONJSA-N	-2	0	356.356	-0.198	20	0		FBADRL
CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000274980993	243968411	/nfs/dbraw/zinc/96/84/11/243968411.db2.gz	XSMZWOLFOWEIDE-NSHDSACASA-N	-2	0	356.356	-0.198	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC000274984245	536582096	/nfs/dbraw/zinc/58/20/96/536582096.db2.gz	LWWHXGTUPZVPJO-LURJTMIESA-N	-2	0	351.358	-0.012	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC000274984246	483664494	/nfs/dbraw/zinc/66/44/94/483664494.db2.gz	LWWHXGTUPZVPJO-ZCFIWIBFSA-N	-2	0	351.358	-0.012	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274984285	483664228	/nfs/dbraw/zinc/66/42/28/483664228.db2.gz	MADTXYFVWDZDHR-SSDOTTSWSA-N	-2	0	365.385	-0.083	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274984286	483664206	/nfs/dbraw/zinc/66/42/06/483664206.db2.gz	MADTXYFVWDZDHR-ZETCQYMHSA-N	-2	0	365.385	-0.083	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274994499	483664231	/nfs/dbraw/zinc/66/42/31/483664231.db2.gz	NCWPQGQNNCCSCT-LURJTMIESA-N	-2	0	351.358	-0.012	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274994504	483664593	/nfs/dbraw/zinc/66/45/93/483664593.db2.gz	NCWPQGQNNCCSCT-ZCFIWIBFSA-N	-2	0	351.358	-0.012	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc2n(C)c1=O	ZINC000274997795	483664370	/nfs/dbraw/zinc/66/43/70/483664370.db2.gz	NRCMWQLSNCDKBE-MRVPVSSYSA-N	-2	0	371.371	-0.669	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc2n(C)c1=O	ZINC000274997799	243968771	/nfs/dbraw/zinc/96/87/71/243968771.db2.gz	NRCMWQLSNCDKBE-QMMMGPOBSA-N	-2	0	371.371	-0.669	20	0		FBADRL
COC(=O)C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000274998121	483664521	/nfs/dbraw/zinc/66/45/21/483664521.db2.gz	AGQHRNIQZPKJCK-YFKPBYRVSA-N	-2	0	352.346	-0.776	20	0		FBADRL
CS(=O)(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1F	ZINC000275009316	483665015	/nfs/dbraw/zinc/66/50/15/483665015.db2.gz	PPZUNVDMMDFHNA-UHFFFAOYSA-N	-2	0	369.348	-0.611	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000275014010	243967362	/nfs/dbraw/zinc/96/73/62/243967362.db2.gz	CFEDQHSSPIDHAS-DTWKUNHWSA-N	-2	0	352.365	-0.834	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000275014018	485277126	/nfs/dbraw/zinc/27/71/26/485277126.db2.gz	CFEDQHSSPIDHAS-IUCAKERBSA-N	-2	0	352.365	-0.834	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000275019513	243968106	/nfs/dbraw/zinc/96/81/06/243968106.db2.gz	ROJMYHBJKKMWSG-SSDOTTSWSA-N	-2	0	358.328	-0.415	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000275019516	483664946	/nfs/dbraw/zinc/66/49/46/483664946.db2.gz	ROJMYHBJKKMWSG-ZETCQYMHSA-N	-2	0	358.328	-0.415	20	0		FBADRL
CCC(=O)C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000275031726	483664950	/nfs/dbraw/zinc/66/49/50/483664950.db2.gz	QDRAGVCTYRJZJJ-SECBINFHSA-N	-2	0	370.343	-0.463	20	0		FBADRL
CCC(=O)C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000275032758	483664712	/nfs/dbraw/zinc/66/47/12/483664712.db2.gz	QDRAGVCTYRJZJJ-VIFPVBQESA-N	-2	0	370.343	-0.463	20	0		FBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275035314	243969552	/nfs/dbraw/zinc/96/95/52/243969552.db2.gz	URWZABDWLIBSHX-JTQLQIEISA-N	-2	0	358.372	-0.158	20	0		FBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275035315	243970017	/nfs/dbraw/zinc/97/00/17/243970017.db2.gz	URWZABDWLIBSHX-SNVBAGLBSA-N	-2	0	358.372	-0.158	20	0		FBADRL
COCC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000275038445	483665027	/nfs/dbraw/zinc/66/50/27/483665027.db2.gz	GNQPWGCUOVBPHZ-MRVPVSSYSA-N	-2	0	358.332	-0.796	20	0		FBADRL
COCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000275038446	483665177	/nfs/dbraw/zinc/66/51/77/483665177.db2.gz	GNQPWGCUOVBPHZ-QMMMGPOBSA-N	-2	0	358.332	-0.796	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc2C1=O	ZINC000275044051	483665780	/nfs/dbraw/zinc/66/57/80/483665780.db2.gz	WABGOHTYQLYZGH-SSDOTTSWSA-N	-2	0	370.339	-0.634	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc2C1=O	ZINC000275044057	483665768	/nfs/dbraw/zinc/66/57/68/483665768.db2.gz	WABGOHTYQLYZGH-ZETCQYMHSA-N	-2	0	370.339	-0.634	20	0		FBADRL
CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000275045293	483665843	/nfs/dbraw/zinc/66/58/43/483665843.db2.gz	WCROSJKNDKYCPP-MRVPVSSYSA-N	-2	0	362.360	-0.344	20	0		FBADRL
CCOC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000275045294	483665649	/nfs/dbraw/zinc/66/56/49/483665649.db2.gz	WCROSJKNDKYCPP-QMMMGPOBSA-N	-2	0	362.360	-0.344	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-]	ZINC000275046848	483665825	/nfs/dbraw/zinc/66/58/25/483665825.db2.gz	WKYFZWHETCPARW-LURJTMIESA-N	-2	0	359.282	-0.101	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-]	ZINC000275046851	483665800	/nfs/dbraw/zinc/66/58/00/483665800.db2.gz	WKYFZWHETCPARW-ZCFIWIBFSA-N	-2	0	359.282	-0.101	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1	ZINC000275046865	483665739	/nfs/dbraw/zinc/66/57/39/483665739.db2.gz	WLHXEJFANUMHEV-UHFFFAOYSA-N	-2	0	364.401	-0.413	20	0		FBADRL
CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn1C	ZINC000275050446	483665667	/nfs/dbraw/zinc/66/56/67/483665667.db2.gz	IBMNGKRATOQGQH-VIFPVBQESA-N	-2	0	362.360	-0.202	20	0		FBADRL
Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000275052437	483665419	/nfs/dbraw/zinc/66/54/19/483665419.db2.gz	XLYOKKWGMRBHRU-MRVPVSSYSA-N	-2	0	356.360	-0.269	20	0		FBADRL
Cc1nn(C)c2ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000275052438	483665332	/nfs/dbraw/zinc/66/53/32/483665332.db2.gz	XLYOKKWGMRBHRU-QMMMGPOBSA-N	-2	0	356.360	-0.269	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)CCC(=O)OCc1ccccc1	ZINC000275056117	483665483	/nfs/dbraw/zinc/66/54/83/483665483.db2.gz	YCCLVSTYFLEETA-UHFFFAOYSA-N	-2	0	359.356	-0.079	20	0		FBADRL
CC(=O)N1CCc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21	ZINC000275058637	243971340	/nfs/dbraw/zinc/97/13/40/243971340.db2.gz	YJTFRQBHTKAISS-UHFFFAOYSA-N	-2	0	356.356	-0.245	20	0		FBADRL
COC(=O)c1sccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275059804	483665429	/nfs/dbraw/zinc/66/54/29/483665429.db2.gz	YPDGJUXASKHPRB-LURJTMIESA-N	-2	0	351.358	-0.012	20	0		FBADRL
COC(=O)c1sccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000275059806	243970949	/nfs/dbraw/zinc/97/09/49/243970949.db2.gz	YPDGJUXASKHPRB-ZCFIWIBFSA-N	-2	0	351.358	-0.012	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000275064476	483665581	/nfs/dbraw/zinc/66/55/81/483665581.db2.gz	ZPMULCYYLHCQKH-UHFFFAOYSA-N	-2	0	351.358	-0.750	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(N2CCOC2=O)cc1	ZINC000275064486	483665755	/nfs/dbraw/zinc/66/57/55/483665755.db2.gz	ZQJZJFHQWFKJLL-UHFFFAOYSA-N	-2	0	358.328	-0.197	20	0		FBADRL
Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1Cl	ZINC000275076973	483666320	/nfs/dbraw/zinc/66/63/20/483666320.db2.gz	HYBUTYRUVXGUTI-BQBZGAKWSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1Cl	ZINC000275076976	483666296	/nfs/dbraw/zinc/66/62/96/483666296.db2.gz	HYBUTYRUVXGUTI-NKWVEPMBSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1Cl	ZINC000275076979	243972992	/nfs/dbraw/zinc/97/29/92/243972992.db2.gz	HYBUTYRUVXGUTI-RNFRBKRXSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1Cl	ZINC000275076983	483666385	/nfs/dbraw/zinc/66/63/85/483666385.db2.gz	HYBUTYRUVXGUTI-RQJHMYQMSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc12	ZINC000275078222	483666339	/nfs/dbraw/zinc/66/63/39/483666339.db2.gz	MQBAGALAAMVWPJ-JTQLQIEISA-N	-2	0	356.360	-0.127	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1	ZINC000275079924	483666429	/nfs/dbraw/zinc/66/64/29/483666429.db2.gz	IKOMQGZCGWCLSN-HNNXBMFYSA-N	-2	0	370.383	-0.014	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1	ZINC000275079928	483666440	/nfs/dbraw/zinc/66/64/40/483666440.db2.gz	IKOMQGZCGWCLSN-OAHLLOKOSA-N	-2	0	370.383	-0.014	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-]	ZINC000275087329	485278722	/nfs/dbraw/zinc/27/87/22/485278722.db2.gz	JRMYJDCEMWGJFZ-BDAKNGLRSA-N	-2	0	369.355	-0.348	20	0		FBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-]	ZINC000275087330	485278561	/nfs/dbraw/zinc/27/85/61/485278561.db2.gz	JRMYJDCEMWGJFZ-DTWKUNHWSA-N	-2	0	369.355	-0.348	20	0		FBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1C(=O)[O-]	ZINC000275087333	243973179	/nfs/dbraw/zinc/97/31/79/243973179.db2.gz	JRMYJDCEMWGJFZ-IUCAKERBSA-N	-2	0	369.355	-0.348	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-]	ZINC000275087335	485278342	/nfs/dbraw/zinc/27/83/42/485278342.db2.gz	JRMYJDCEMWGJFZ-RKDXNWHRSA-N	-2	0	369.355	-0.348	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c[nH]1	ZINC000275092691	483666166	/nfs/dbraw/zinc/66/61/66/483666166.db2.gz	KKVGKNLUNXSFOY-BDAKNGLRSA-N	-2	0	360.344	-0.403	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c[nH]1	ZINC000275092694	243973871	/nfs/dbraw/zinc/97/38/71/243973871.db2.gz	KKVGKNLUNXSFOY-DTWKUNHWSA-N	-2	0	360.344	-0.403	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c[nH]1	ZINC000275092699	483666053	/nfs/dbraw/zinc/66/60/53/483666053.db2.gz	KKVGKNLUNXSFOY-IUCAKERBSA-N	-2	0	360.344	-0.403	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c[nH]1	ZINC000275092704	483666068	/nfs/dbraw/zinc/66/60/68/483666068.db2.gz	KKVGKNLUNXSFOY-RKDXNWHRSA-N	-2	0	360.344	-0.403	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@@H]1C(=O)[O-]	ZINC000275102520	483666466	/nfs/dbraw/zinc/66/64/66/483666466.db2.gz	LSWGXHBJLORHSI-BDAKNGLRSA-N	-2	0	370.339	-0.083	20	0		FBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C(=O)[O-]	ZINC000275102521	483666214	/nfs/dbraw/zinc/66/62/14/483666214.db2.gz	LSWGXHBJLORHSI-DTWKUNHWSA-N	-2	0	370.339	-0.083	20	0		FBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC[C@@H]1C(=O)[O-]	ZINC000275102522	483666448	/nfs/dbraw/zinc/66/64/48/483666448.db2.gz	LSWGXHBJLORHSI-IUCAKERBSA-N	-2	0	370.339	-0.083	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C(=O)[O-]	ZINC000275102523	243974006	/nfs/dbraw/zinc/97/40/06/243974006.db2.gz	LSWGXHBJLORHSI-RKDXNWHRSA-N	-2	0	370.339	-0.083	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000275109739	483667064	/nfs/dbraw/zinc/66/70/64/483667064.db2.gz	RRFOAOVDWFRKTF-JTQLQIEISA-N	-2	0	355.332	-0.741	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1	ZINC000275110578	485278358	/nfs/dbraw/zinc/27/83/58/485278358.db2.gz	MWLWGKTZCBCZKL-NEPJUHHUSA-N	-2	0	370.383	-0.158	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1	ZINC000275110580	243973727	/nfs/dbraw/zinc/97/37/27/243973727.db2.gz	MWLWGKTZCBCZKL-NWDGAFQWSA-N	-2	0	370.383	-0.158	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1	ZINC000275110582	485278522	/nfs/dbraw/zinc/27/85/22/485278522.db2.gz	MWLWGKTZCBCZKL-RYUDHWBXSA-N	-2	0	370.383	-0.158	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1	ZINC000275110584	485278502	/nfs/dbraw/zinc/27/85/02/485278502.db2.gz	MWLWGKTZCBCZKL-VXGBXAGGSA-N	-2	0	370.383	-0.158	20	0		FBADRL
NC(=O)c1cccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000275116198	483666884	/nfs/dbraw/zinc/66/68/84/483666884.db2.gz	NLHFKHONDMZQMK-AWEZNQCLSA-N	-2	0	356.356	-0.274	20	0		FBADRL
NC(=O)c1cccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000275116200	483666958	/nfs/dbraw/zinc/66/69/58/483666958.db2.gz	NLHFKHONDMZQMK-CQSZACIVSA-N	-2	0	356.356	-0.274	20	0		FBADRL
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275117577	483666794	/nfs/dbraw/zinc/66/67/94/483666794.db2.gz	NQCDOTYTXLNEFZ-SSDOTTSWSA-N	-2	0	372.359	-0.454	20	0		FBADRL
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275117579	483666628	/nfs/dbraw/zinc/66/66/28/483666628.db2.gz	NQCDOTYTXLNEFZ-ZETCQYMHSA-N	-2	0	372.359	-0.454	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1C	ZINC000275120336	485278752	/nfs/dbraw/zinc/27/87/52/485278752.db2.gz	NYRYCXQWEYETOE-NXEZZACHSA-N	-2	0	373.387	-0.819	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1C	ZINC000275120340	485278137	/nfs/dbraw/zinc/27/81/37/485278137.db2.gz	NYRYCXQWEYETOE-UWVGGRQHSA-N	-2	0	373.387	-0.819	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1C	ZINC000275120342	485278709	/nfs/dbraw/zinc/27/87/09/485278709.db2.gz	NYRYCXQWEYETOE-VHSXEESVSA-N	-2	0	373.387	-0.819	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1C	ZINC000275120344	485278219	/nfs/dbraw/zinc/27/82/19/485278219.db2.gz	NYRYCXQWEYETOE-ZJUUUORDSA-N	-2	0	373.387	-0.819	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2n(C)c1=O	ZINC000275124060	243976281	/nfs/dbraw/zinc/97/62/81/243976281.db2.gz	ULRJGQJUQXSPAI-VIFPVBQESA-N	-2	0	371.371	-0.527	20	0		FBADRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000275124077	483666699	/nfs/dbraw/zinc/66/66/99/483666699.db2.gz	OHZQIBNIQPXQAM-AWEZNQCLSA-N	-2	0	369.355	-0.204	20	0		FBADRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000275124079	483667074	/nfs/dbraw/zinc/66/70/74/483667074.db2.gz	OHZQIBNIQPXQAM-CQSZACIVSA-N	-2	0	369.355	-0.204	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1	ZINC000275138115	483667391	/nfs/dbraw/zinc/66/73/91/483667391.db2.gz	PYMPWFSBWIICRT-AWEZNQCLSA-N	-2	0	356.356	-0.274	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1	ZINC000275138120	483667682	/nfs/dbraw/zinc/66/76/82/483667682.db2.gz	PYMPWFSBWIICRT-CQSZACIVSA-N	-2	0	356.356	-0.274	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000275138581	483667281	/nfs/dbraw/zinc/66/72/81/483667281.db2.gz	WLJXKCFPWAQDFC-ZETCQYMHSA-N	-3	0	372.315	-0.968	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000275139898	243974761	/nfs/dbraw/zinc/97/47/61/243974761.db2.gz	WSAFGMYOKCAZMW-NSHDSACASA-N	-2	0	356.356	-0.431	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C[C@H]1C(=O)[O-]	ZINC000275142367	243976420	/nfs/dbraw/zinc/97/64/20/243976420.db2.gz	QJQUUIUWCWSCHE-GHMZBOCLSA-N	-2	0	368.367	-0.023	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C[C@@H]1C(=O)[O-]	ZINC000275142369	485278180	/nfs/dbraw/zinc/27/81/80/485278180.db2.gz	QJQUUIUWCWSCHE-MNOVXSKESA-N	-2	0	368.367	-0.023	20	0		FBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC[C@@H]1C(=O)[O-]	ZINC000275142373	485278688	/nfs/dbraw/zinc/27/86/88/485278688.db2.gz	QJQUUIUWCWSCHE-QWRGUYRKSA-N	-2	0	368.367	-0.023	20	0		FBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C[C@H]1C(=O)[O-]	ZINC000275142376	243975031	/nfs/dbraw/zinc/97/50/31/243975031.db2.gz	QJQUUIUWCWSCHE-WDEREUQCSA-N	-2	0	368.367	-0.023	20	0		FBADRL
Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)nc1Cl	ZINC000275154694	243979064	/nfs/dbraw/zinc/97/90/64/243979064.db2.gz	SFABUMGGYQEJQQ-BQBZGAKWSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)nc1Cl	ZINC000275154695	243978984	/nfs/dbraw/zinc/97/89/84/243978984.db2.gz	SFABUMGGYQEJQQ-NKWVEPMBSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)nc1Cl	ZINC000275154696	483668270	/nfs/dbraw/zinc/66/82/70/483668270.db2.gz	SFABUMGGYQEJQQ-RNFRBKRXSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)nc1Cl	ZINC000275154698	483668131	/nfs/dbraw/zinc/66/81/31/483668131.db2.gz	SFABUMGGYQEJQQ-RQJHMYQMSA-N	-2	0	351.768	-0.131	20	0		FBADRL
NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000275171943	483668201	/nfs/dbraw/zinc/66/82/01/483668201.db2.gz	VLMCROFVWZFMRB-GHMZBOCLSA-N	-2	0	356.356	-0.419	20	0		FBADRL
NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000275171944	483668082	/nfs/dbraw/zinc/66/80/82/483668082.db2.gz	VLMCROFVWZFMRB-MNOVXSKESA-N	-2	0	356.356	-0.419	20	0		FBADRL
NC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000275171945	483668185	/nfs/dbraw/zinc/66/81/85/483668185.db2.gz	VLMCROFVWZFMRB-QWRGUYRKSA-N	-2	0	356.356	-0.419	20	0		FBADRL
NC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000275171946	483668297	/nfs/dbraw/zinc/66/82/97/483668297.db2.gz	VLMCROFVWZFMRB-WDEREUQCSA-N	-2	0	356.356	-0.419	20	0		FBADRL
COCCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000275185537	483668753	/nfs/dbraw/zinc/66/87/53/483668753.db2.gz	XCXNJQTYWZKZIN-GHMZBOCLSA-N	-2	0	361.376	-0.675	20	0		FBADRL
COCCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000275185540	243981647	/nfs/dbraw/zinc/98/16/47/243981647.db2.gz	XCXNJQTYWZKZIN-MNOVXSKESA-N	-2	0	361.376	-0.675	20	0		FBADRL
COCCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000275185543	483668800	/nfs/dbraw/zinc/66/88/00/483668800.db2.gz	XCXNJQTYWZKZIN-QWRGUYRKSA-N	-2	0	361.376	-0.675	20	0		FBADRL
COCCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000275185547	483668711	/nfs/dbraw/zinc/66/87/11/483668711.db2.gz	XCXNJQTYWZKZIN-WDEREUQCSA-N	-2	0	361.376	-0.675	20	0		FBADRL
COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275200209	483668537	/nfs/dbraw/zinc/66/85/37/483668537.db2.gz	GOQMBUWYUOWIPQ-SECBINFHSA-N	-2	0	360.344	-0.140	20	0		FBADRL
COCCn1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000275206358	483668708	/nfs/dbraw/zinc/66/87/08/483668708.db2.gz	ZIVSDPQKQLSLJS-CYBMUJFWSA-N	-2	0	361.376	-0.530	20	0		FBADRL
COCCn1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000275206359	483668420	/nfs/dbraw/zinc/66/84/20/483668420.db2.gz	ZIVSDPQKQLSLJS-ZDUSSCGKSA-N	-2	0	361.376	-0.530	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000275242398	483669779	/nfs/dbraw/zinc/66/97/79/483669779.db2.gz	KLVXMCUVHBHBCJ-LLVKDONJSA-N	-2	0	359.356	-0.033	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000275242401	483669759	/nfs/dbraw/zinc/66/97/59/483669759.db2.gz	KLVXMCUVHBHBCJ-NSHDSACASA-N	-2	0	359.356	-0.033	20	0		FBADRL
O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275292202	483671344	/nfs/dbraw/zinc/67/13/44/483671344.db2.gz	PQQIRVVLSDBVLQ-LURJTMIESA-N	-2	0	364.286	-0.177	20	0		FBADRL
O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275292208	483671106	/nfs/dbraw/zinc/67/11/06/483671106.db2.gz	PQQIRVVLSDBVLQ-ZCFIWIBFSA-N	-2	0	364.286	-0.177	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-]	ZINC000275554324	483675705	/nfs/dbraw/zinc/67/57/05/483675705.db2.gz	FAJNYASEWYZLFC-LLVKDONJSA-N	-2	0	352.390	-0.319	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-]	ZINC000275554329	244000113	/nfs/dbraw/zinc/00/01/13/244000113.db2.gz	FAJNYASEWYZLFC-NSHDSACASA-N	-2	0	352.390	-0.319	20	0		FBADRL
C[C@](CO)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-]	ZINC000275798920	244017707	/nfs/dbraw/zinc/01/77/07/244017707.db2.gz	WOIXEDCSPVNNKH-CYBMUJFWSA-N	-2	0	372.359	-0.812	20	0		FBADRL
C[C@@](CO)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-]	ZINC000275798923	244015795	/nfs/dbraw/zinc/01/57/95/244015795.db2.gz	WOIXEDCSPVNNKH-ZDUSSCGKSA-N	-2	0	372.359	-0.812	20	0		FBADRL
COc1cc(OC)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(OC)c1	ZINC000277236001	244103771	/nfs/dbraw/zinc/10/37/71/244103771.db2.gz	JVDCJFFEPZRVGU-UHFFFAOYSA-N	-2	0	363.344	-0.128	20	0		FBADRL
COc1cc(OC)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000277291732	244106943	/nfs/dbraw/zinc/10/69/43/244106943.db2.gz	QZEUDERHVJAERT-MRVPVSSYSA-N	-2	0	363.344	-0.081	20	0		FBADRL
COc1cc(OC)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000277291734	244107444	/nfs/dbraw/zinc/10/74/44/244107444.db2.gz	QZEUDERHVJAERT-QMMMGPOBSA-N	-2	0	363.344	-0.081	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000277743938	244119795	/nfs/dbraw/zinc/11/97/95/244119795.db2.gz	UMQBHMHGUWGLFK-UHFFFAOYSA-N	-2	0	363.417	-0.746	20	0		FBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278591945	244139703	/nfs/dbraw/zinc/13/97/03/244139703.db2.gz	FFEJSRMJVIKADG-MRVPVSSYSA-N	-2	0	363.348	-0.427	20	0		FBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000278613737	244140124	/nfs/dbraw/zinc/14/01/24/244140124.db2.gz	GUQAVPPGXKUJMZ-LLVKDONJSA-N	-2	0	369.359	-0.351	20	0		FBADRL
C[C@H]1OCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C(=O)[O-]	ZINC000278659557	244141217	/nfs/dbraw/zinc/14/12/17/244141217.db2.gz	KGJZWVKHYGQSSD-MUWHJKNJSA-N	-2	0	370.343	-0.701	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1C	ZINC000278685718	244144897	/nfs/dbraw/zinc/14/48/97/244144897.db2.gz	MEHODRSSKWADCD-SECBINFHSA-N	-2	0	361.376	-0.629	20	0		FBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000278710544	244142839	/nfs/dbraw/zinc/14/28/39/244142839.db2.gz	OCZZDWWPGDCPLB-LLVKDONJSA-N	-2	0	369.359	-0.351	20	0		FBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000278790585	244143602	/nfs/dbraw/zinc/14/36/02/244143602.db2.gz	VBLVKKXJMDHHDV-SECBINFHSA-N	-2	0	357.344	-0.157	20	0		FBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-]	ZINC000278819794	244148208	/nfs/dbraw/zinc/14/82/08/244148208.db2.gz	XPYWMRQFTJERJI-GXSJLCMTSA-N	-2	0	361.376	-0.169	20	0		FBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-]	ZINC000278819796	244146604	/nfs/dbraw/zinc/14/66/04/244146604.db2.gz	XPYWMRQFTJERJI-MWLCHTKSSA-N	-2	0	361.376	-0.169	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000278822130	244147766	/nfs/dbraw/zinc/14/77/66/244147766.db2.gz	XYEIMBOFTZCSRX-SNVBAGLBSA-N	-2	0	374.371	-0.220	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(OC)c1	ZINC000279262572	662153046	/nfs/dbraw/zinc/15/30/46/662153046.db2.gz	MJSLBRPRJSEKPU-UHFFFAOYSA-N	-2	0	361.328	-0.358	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000279356055	662152966	/nfs/dbraw/zinc/15/29/66/662152966.db2.gz	VXBRHNDPDNJSIW-MRVPVSSYSA-N	-2	0	361.328	-0.312	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000279356059	662153030	/nfs/dbraw/zinc/15/30/30/662153030.db2.gz	VXBRHNDPDNJSIW-QMMMGPOBSA-N	-2	0	361.328	-0.312	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn1	ZINC000279945468	483683749	/nfs/dbraw/zinc/68/37/49/483683749.db2.gz	HIWNEFVCLIJLDJ-QMMMGPOBSA-N	-2	0	366.373	-0.919	20	0		FBADRL
COc1cc2c(cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])OCC(=O)N2	ZINC000280301503	244186871	/nfs/dbraw/zinc/18/68/71/244186871.db2.gz	AGVOBOWMSIKURJ-UHFFFAOYSA-N	-2	0	374.327	-0.814	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000281922791	244236170	/nfs/dbraw/zinc/23/61/70/244236170.db2.gz	AQHDVUQSDTZBSI-QMMMGPOBSA-N	-2	0	361.342	-0.728	20	0		FBADRL
NC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000281928328	244235745	/nfs/dbraw/zinc/23/57/45/244235745.db2.gz	QXANGQGCDHCKLI-SSDOTTSWSA-N	-2	0	364.763	-0.107	20	0		FBADRL
NC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000281928330	244236321	/nfs/dbraw/zinc/23/63/21/244236321.db2.gz	QXANGQGCDHCKLI-ZETCQYMHSA-N	-2	0	364.763	-0.107	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000281959551	244239706	/nfs/dbraw/zinc/23/97/06/244239706.db2.gz	STHJTCBESOJELH-SECBINFHSA-N	-2	0	361.328	-0.312	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000281959554	244239209	/nfs/dbraw/zinc/23/92/09/244239209.db2.gz	STHJTCBESOJELH-VIFPVBQESA-N	-2	0	361.328	-0.312	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1OC	ZINC000281986809	244238935	/nfs/dbraw/zinc/23/89/35/244238935.db2.gz	VKGJWRACWQNXRY-UHFFFAOYSA-N	-2	0	361.328	-0.358	20	0		FBADRL
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000282404801	244257513	/nfs/dbraw/zinc/25/75/13/244257513.db2.gz	ZHTWKQDSTZGHRK-HTRCEHHLSA-N	-2	0	354.344	-0.080	20	0		FBADRL
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000282404804	244259575	/nfs/dbraw/zinc/25/95/75/244259575.db2.gz	ZHTWKQDSTZGHRK-POYBYMJQSA-N	-2	0	354.344	-0.080	20	0		FBADRL
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000282404806	244259100	/nfs/dbraw/zinc/25/91/00/244259100.db2.gz	ZHTWKQDSTZGHRK-SVRRBLITSA-N	-2	0	354.344	-0.080	20	0		FBADRL
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000282404808	244257849	/nfs/dbraw/zinc/25/78/49/244257849.db2.gz	ZHTWKQDSTZGHRK-XPUUQOCRSA-N	-2	0	354.344	-0.080	20	0		FBADRL
COCCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000284915852	483707974	/nfs/dbraw/zinc/70/79/74/483707974.db2.gz	BNJLDJDBFXTLHC-UHFFFAOYSA-N	-2	0	374.371	-0.777	20	0		FBADRL
O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000285025030	483710875	/nfs/dbraw/zinc/71/08/75/483710875.db2.gz	IFTFNAKTXKYOON-VIFPVBQESA-N	-2	0	354.344	-0.032	20	0		FBADRL
COCCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000285277346	483715347	/nfs/dbraw/zinc/71/53/47/483715347.db2.gz	WKANCXAHZJVISY-LLVKDONJSA-N	-2	0	374.371	-0.731	20	0		FBADRL
COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000285277358	483715508	/nfs/dbraw/zinc/71/55/08/483715508.db2.gz	WKANCXAHZJVISY-NSHDSACASA-N	-2	0	374.371	-0.731	20	0		FBADRL
Cc1nc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(Br)n1C	ZINC000287349759	484968505	/nfs/dbraw/zinc/96/85/05/484968505.db2.gz	XHEMBKDCMPCTQP-RXMQYKEDSA-N	-2	0	370.181	-0.303	20	0		FBADRL
Cc1nc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(Br)n1C	ZINC000287349765	484968051	/nfs/dbraw/zinc/96/80/51/484968051.db2.gz	XHEMBKDCMPCTQP-YFKPBYRVSA-N	-2	0	370.181	-0.303	20	0		FBADRL
Cc1nc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(Br)n1C	ZINC000287442284	484971447	/nfs/dbraw/zinc/97/14/47/484971447.db2.gz	HMSGPTWJOWQZHY-UHFFFAOYSA-N	-2	0	370.181	-0.349	20	0		FBADRL
O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000287452763	483752392	/nfs/dbraw/zinc/75/23/92/483752392.db2.gz	IFTFNAKTXKYOON-SECBINFHSA-N	-2	0	354.344	-0.032	20	0		FBADRL
COCCCS(=O)(=O)NCC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000288699975	483775489	/nfs/dbraw/zinc/77/54/89/483775489.db2.gz	BIFQSSWQVUNRLA-UHFFFAOYSA-N	-2	0	369.403	-0.341	20	0		FBADRL
CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOCCOC)c1	ZINC000290454986	483796585	/nfs/dbraw/zinc/79/65/85/483796585.db2.gz	DOOCYMMBFXCPJY-UHFFFAOYSA-N	-2	0	368.433	-0.295	20	0		FBADRL
CNS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCC(=O)OC)c1	ZINC000290588133	483798301	/nfs/dbraw/zinc/79/83/01/483798301.db2.gz	WWHVCVOFJHQZJS-UHFFFAOYSA-N	-2	0	352.390	-0.395	20	0		FBADRL
COC(=O)Cc1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000290632804	483798409	/nfs/dbraw/zinc/79/84/09/483798409.db2.gz	LJUDLHRJSGKDDZ-JTQLQIEISA-N	-2	0	359.356	-0.144	20	0		FBADRL
COC(=O)Cc1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000290632806	483798472	/nfs/dbraw/zinc/79/84/72/483798472.db2.gz	LJUDLHRJSGKDDZ-SNVBAGLBSA-N	-2	0	359.356	-0.144	20	0		FBADRL
COC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000290675508	483799163	/nfs/dbraw/zinc/79/91/63/483799163.db2.gz	PLOZBMGSNGCWLV-NSHDSACASA-N	-2	0	359.356	-0.002	20	0		FBADRL
COC(=O)CCCO[N-]C(=O)COCC(=O)[N-]OCCCC(=O)OC	ZINC000290723776	483799615	/nfs/dbraw/zinc/79/96/15/483799615.db2.gz	RYZSQLYVIUFCMR-UHFFFAOYSA-N	-2	0	364.351	-0.995	20	0		FBADRL
CCOC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000290759089	483800398	/nfs/dbraw/zinc/80/03/98/483800398.db2.gz	ZEJWPNKTXSDVKS-QMMMGPOBSA-N	-2	0	358.332	-0.796	20	0		FBADRL
CCOC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000291048552	244390529	/nfs/dbraw/zinc/39/05/29/244390529.db2.gz	ZEJWPNKTXSDVKS-MRVPVSSYSA-N	-2	0	358.332	-0.796	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000298147528	244559405	/nfs/dbraw/zinc/55/94/05/244559405.db2.gz	XPSKKFIVOYRSFZ-JTQLQIEISA-N	-2	0	365.385	-0.314	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc21	ZINC000298213341	483913537	/nfs/dbraw/zinc/91/35/37/483913537.db2.gz	QKWSIBBJKFLSEU-QMMMGPOBSA-N	-2	0	358.328	-0.272	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000298347124	483914340	/nfs/dbraw/zinc/91/43/40/483914340.db2.gz	LALJBQMRBXJCOB-VIFPVBQESA-N	-2	0	360.344	-0.610	20	0		FBADRL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000298656776	483852631	/nfs/dbraw/zinc/85/26/31/483852631.db2.gz	BXYPBSGXKTXQLR-LLVKDONJSA-N	-2	0	370.383	-0.014	20	0		FBADRL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000298656780	244590962	/nfs/dbraw/zinc/59/09/62/244590962.db2.gz	BXYPBSGXKTXQLR-NSHDSACASA-N	-2	0	370.383	-0.014	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cc1C(=O)[O-]	ZINC000298852482	483914136	/nfs/dbraw/zinc/91/41/36/483914136.db2.gz	LZSGXYQYWZZCOS-UHFFFAOYSA-N	-2	0	367.387	-0.001	20	0		FBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000298856817	244610949	/nfs/dbraw/zinc/61/09/49/244610949.db2.gz	MHJGTQYRXHIPGE-NSHDSACASA-N	-2	0	358.372	-0.015	20	0		FBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)c[nH]1	ZINC000299611285	483915419	/nfs/dbraw/zinc/91/54/19/483915419.db2.gz	OMTNIWIKEJEBOI-UHFFFAOYSA-N	-2	0	353.360	-0.011	20	0		FBADRL
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000299624873	483866448	/nfs/dbraw/zinc/86/64/48/483866448.db2.gz	RCXAVHYLNBUJBM-UHFFFAOYSA-N	-2	0	355.376	-0.191	20	0		FBADRL
NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000319509869	600673505	/nfs/dbraw/zinc/67/35/05/600673505.db2.gz	HWDLIHUXLYKIPQ-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000319562181	600672090	/nfs/dbraw/zinc/67/20/90/600672090.db2.gz	FZJNPFOJRZMUPW-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000319640605	483667956	/nfs/dbraw/zinc/66/79/56/483667956.db2.gz	CFEDQHSSPIDHAS-BDAKNGLRSA-N	-2	0	352.365	-0.834	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000319640606	483668301	/nfs/dbraw/zinc/66/83/01/483668301.db2.gz	CFEDQHSSPIDHAS-RKDXNWHRSA-N	-2	0	352.365	-0.834	20	0		FBADRL
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1	ZINC000320073960	600673716	/nfs/dbraw/zinc/67/37/16/600673716.db2.gz	NPOQAJQUCHKOBR-UHFFFAOYSA-N	-2	0	360.373	-0.433	20	0		FBADRL
Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000320236250	657954918	/nfs/dbraw/zinc/95/49/18/657954918.db2.gz	UMDCPOMQTYXDEH-BQBZGAKWSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000320236263	657954770	/nfs/dbraw/zinc/95/47/70/657954770.db2.gz	UMDCPOMQTYXDEH-NKWVEPMBSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000320236277	657954816	/nfs/dbraw/zinc/95/48/16/657954816.db2.gz	UMDCPOMQTYXDEH-RNFRBKRXSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000320236290	657954737	/nfs/dbraw/zinc/95/47/37/657954737.db2.gz	UMDCPOMQTYXDEH-RQJHMYQMSA-N	-2	0	351.768	-0.131	20	0		FBADRL
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1	ZINC000321324784	600530420	/nfs/dbraw/zinc/53/04/20/600530420.db2.gz	RXMVJULBKKPXOG-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)C[C@@H](C)O1	ZINC000321908696	484983556	/nfs/dbraw/zinc/98/35/56/484983556.db2.gz	WLRWTDUJGHGGLF-CHWFTXMASA-N	-2	0	350.393	-0.552	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)C[C@H](C)O1	ZINC000321908698	484983035	/nfs/dbraw/zinc/98/30/35/484983035.db2.gz	WLRWTDUJGHGGLF-VLEAKVRGSA-N	-2	0	350.393	-0.552	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)C[C@@H](C)O1	ZINC000321908700	484983119	/nfs/dbraw/zinc/98/31/19/484983119.db2.gz	WLRWTDUJGHGGLF-ZNSHCXBVSA-N	-2	0	350.393	-0.552	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)C[C@H](C)O1	ZINC000321908702	484982721	/nfs/dbraw/zinc/98/27/21/484982721.db2.gz	WLRWTDUJGHGGLF-ZRUFSTJUSA-N	-2	0	350.393	-0.552	20	0		FBADRL
NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000321959082	600676168	/nfs/dbraw/zinc/67/61/68/600676168.db2.gz	IKFVTCZIYQCFIF-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000322853065	484156474	/nfs/dbraw/zinc/15/64/74/484156474.db2.gz	QLTSTCYYPFUOJD-DTWKUNHWSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000322853066	484156731	/nfs/dbraw/zinc/15/67/31/484156731.db2.gz	QLTSTCYYPFUOJD-RKDXNWHRSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000322940123	484241026	/nfs/dbraw/zinc/24/10/26/484241026.db2.gz	QLTSTCYYPFUOJD-BDAKNGLRSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000322940124	484240465	/nfs/dbraw/zinc/24/04/65/484240465.db2.gz	QLTSTCYYPFUOJD-IUCAKERBSA-N	-2	0	352.365	-0.976	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])C1	ZINC000324165258	484302338	/nfs/dbraw/zinc/30/23/38/484302338.db2.gz	DDFJZDWDXWKDQL-NXEZZACHSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C1	ZINC000324165260	485330168	/nfs/dbraw/zinc/33/01/68/485330168.db2.gz	DDFJZDWDXWKDQL-UWVGGRQHSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])C1	ZINC000324165262	484559487	/nfs/dbraw/zinc/55/94/87/484559487.db2.gz	DDFJZDWDXWKDQL-VHSXEESVSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C1	ZINC000324165264	485329972	/nfs/dbraw/zinc/32/99/72/485329972.db2.gz	DDFJZDWDXWKDQL-ZJUUUORDSA-N	-2	0	366.392	-0.586	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(=O)n(C)c1=O	ZINC000324195903	484189768	/nfs/dbraw/zinc/18/97/68/484189768.db2.gz	KYMMDKWRVCQWAG-UHFFFAOYSA-N	-2	0	355.328	-0.711	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc21	ZINC000324215326	658903405	/nfs/dbraw/zinc/90/34/05/658903405.db2.gz	QKWSIBBJKFLSEU-MRVPVSSYSA-N	-2	0	358.328	-0.272	20	0		FBADRL
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000324230594	485330266	/nfs/dbraw/zinc/33/02/66/485330266.db2.gz	VACRBJNMCQCTIG-JTQLQIEISA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000324230595	484561233	/nfs/dbraw/zinc/56/12/33/484561233.db2.gz	VACRBJNMCQCTIG-SNVBAGLBSA-N	-2	0	366.392	-0.586	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000324236664	658903291	/nfs/dbraw/zinc/90/32/91/658903291.db2.gz	WXBWEKRFIZZDNK-MRVPVSSYSA-N	-2	0	358.328	-0.386	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000324236666	485330144	/nfs/dbraw/zinc/33/01/44/485330144.db2.gz	WXBWEKRFIZZDNK-QMMMGPOBSA-N	-2	0	358.328	-0.386	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(=O)n(C)c1=O	ZINC000324610210	485331960	/nfs/dbraw/zinc/33/19/60/485331960.db2.gz	KFNUINPBKWSWGC-UHFFFAOYSA-N	-2	0	357.319	-0.278	20	0		FBADRL
Cc1cccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C(=O)[O-]	ZINC000324793182	485332843	/nfs/dbraw/zinc/33/28/43/485332843.db2.gz	KRSOUZJWUDBBSO-UHFFFAOYSA-N	-2	0	353.356	-0.109	20	0		FBADRL
NC(=O)COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000324800598	600673459	/nfs/dbraw/zinc/67/34/59/600673459.db2.gz	ABXZEFRABKWGGC-UHFFFAOYSA-N	-2	0	354.344	-0.367	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(=O)n(C)c1=O	ZINC000324844301	485332561	/nfs/dbraw/zinc/33/25/61/485332561.db2.gz	IVQRXOBGGNCXGI-UHFFFAOYSA-N	-2	0	357.319	-0.278	20	0		FBADRL
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000324854952	600673484	/nfs/dbraw/zinc/67/34/84/600673484.db2.gz	LCMQUAOSGAONSV-UHFFFAOYSA-N	-2	0	374.400	-0.323	20	0		FBADRL
Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000324856014	600674912	/nfs/dbraw/zinc/67/49/12/600674912.db2.gz	HWYUBAAOUCBNOL-UHFFFAOYSA-N	-2	0	374.400	-0.276	20	0		FBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1	ZINC000324870658	484494198	/nfs/dbraw/zinc/49/41/98/484494198.db2.gz	PQGMXEUCFMJMOS-UHFFFAOYSA-N	-2	0	354.344	-0.367	20	0		FBADRL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC000324890957	484496263	/nfs/dbraw/zinc/49/62/63/484496263.db2.gz	SXIQMFIVBQMIQP-UHFFFAOYSA-N	-2	0	354.344	-0.119	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(=O)n(C)c1=O	ZINC000325106412	485332435	/nfs/dbraw/zinc/33/24/35/485332435.db2.gz	WWEAOOUCYADSNQ-UHFFFAOYSA-N	-2	0	357.319	-0.278	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-]	ZINC000325115359	484505638	/nfs/dbraw/zinc/50/56/38/484505638.db2.gz	LZJIEGYKKNQIFQ-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1	ZINC000325127345	600529338	/nfs/dbraw/zinc/52/93/38/600529338.db2.gz	FOQZYNAMKHGVJJ-UHFFFAOYSA-N	-2	0	374.400	-0.323	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C(N)=O	ZINC000325129080	600530327	/nfs/dbraw/zinc/53/03/27/600530327.db2.gz	HUKIXCLKVWTHQG-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1NC(C)=O	ZINC000325459796	483970663	/nfs/dbraw/zinc/97/06/63/483970663.db2.gz	CSWIIMGBLPHQMZ-SNVBAGLBSA-N	-2	0	360.344	-0.140	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1NC(C)=O	ZINC000325597142	483889948	/nfs/dbraw/zinc/88/99/48/483889948.db2.gz	CSWIIMGBLPHQMZ-JTQLQIEISA-N	-2	0	360.344	-0.140	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])CC1	ZINC000325691675	485335969	/nfs/dbraw/zinc/33/59/69/485335969.db2.gz	HIIQPQHCEVOTLL-SNVBAGLBSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000325912105	483904967	/nfs/dbraw/zinc/90/49/67/483904967.db2.gz	MTPRVHKOJLSPBV-NXEZZACHSA-N	-2	0	366.392	-0.444	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000325912107	483904930	/nfs/dbraw/zinc/90/49/30/483904930.db2.gz	MTPRVHKOJLSPBV-ZJUUUORDSA-N	-2	0	366.392	-0.444	20	0		FBADRL
Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000326834450	600674034	/nfs/dbraw/zinc/67/40/34/600674034.db2.gz	BGJVXIPKZVQIBM-UHFFFAOYSA-N	-2	0	363.359	-0.041	20	0		FBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cn1	ZINC000326903891	600675799	/nfs/dbraw/zinc/67/57/99/600675799.db2.gz	MBONJKCSTRHCBY-UHFFFAOYSA-N	-2	0	368.371	-0.509	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(=O)n(C)c1=O	ZINC000327042936	485257795	/nfs/dbraw/zinc/25/77/95/485257795.db2.gz	XDCPMFTYJGEFDG-UHFFFAOYSA-N	-2	0	357.319	-0.278	20	0		FBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cn1	ZINC000327070814	600676156	/nfs/dbraw/zinc/67/61/56/600676156.db2.gz	CYBHLMREZFPYIK-UHFFFAOYSA-N	-2	0	368.375	-0.756	20	0		FBADRL
Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000327099824	483910867	/nfs/dbraw/zinc/91/08/67/483910867.db2.gz	XGJMKJIKFUYNFL-CMPLNLGQSA-N	-2	0	370.383	-0.110	20	0		FBADRL
Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000327099826	483911027	/nfs/dbraw/zinc/91/10/27/483911027.db2.gz	XGJMKJIKFUYNFL-JQWIXIFHSA-N	-2	0	370.383	-0.110	20	0		FBADRL
Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000327099830	483910727	/nfs/dbraw/zinc/91/07/27/483910727.db2.gz	XGJMKJIKFUYNFL-PWSUYJOCSA-N	-2	0	370.383	-0.110	20	0		FBADRL
Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000327099834	483910816	/nfs/dbraw/zinc/91/08/16/483910816.db2.gz	XGJMKJIKFUYNFL-ZYHUDNBSSA-N	-2	0	370.383	-0.110	20	0		FBADRL
CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCCC[C@@H]1N(C)Cc1nc(=O)n(C)[nH]1	ZINC000329693263	484282404	/nfs/dbraw/zinc/28/24/04/484282404.db2.gz	FAVOBEFGDDGGCY-RYUDHWBXSA-N	-2	0	364.454	-0.595	20	0		FBADRL
CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCC[C@H]1N(C)Cc1nc(=O)n(C)[nH]1	ZINC000329693265	484283197	/nfs/dbraw/zinc/28/31/97/484283197.db2.gz	FAVOBEFGDDGGCY-VXGBXAGGSA-N	-2	0	364.454	-0.595	20	0		FBADRL
O=S(=O)(CCCS(=O)(=O)NC1(C(F)F)CC1)[N-]c1nc[nH]n1	ZINC000348375850	484140833	/nfs/dbraw/zinc/14/08/33/484140833.db2.gz	GSXRQCDAXFVEQH-UHFFFAOYSA-N	-2	0	359.380	-0.346	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000363887923	245141552	/nfs/dbraw/zinc/14/15/52/245141552.db2.gz	MNNYYLMMERZADD-SFYZADRCSA-N	-2	0	350.301	-0.197	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000363887926	245141779	/nfs/dbraw/zinc/14/17/79/245141779.db2.gz	MNNYYLMMERZADD-YUMQZZPRSA-N	-2	0	350.301	-0.197	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC000364342574	245167653	/nfs/dbraw/zinc/16/76/53/245167653.db2.gz	WABFAKHHQKWCGH-LLVKDONJSA-N	-2	0	356.356	-0.642	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC000364342575	245167925	/nfs/dbraw/zinc/16/79/25/245167925.db2.gz	WABFAKHHQKWCGH-NSHDSACASA-N	-2	0	356.356	-0.642	20	0		FBADRL
O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000364402577	245170431	/nfs/dbraw/zinc/17/04/31/245170431.db2.gz	ZNWCIJSOJAQNIR-SSDOTTSWSA-N	-2	0	370.343	-0.700	20	0		FBADRL
O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000364402579	245168844	/nfs/dbraw/zinc/16/88/44/245168844.db2.gz	ZNWCIJSOJAQNIR-ZETCQYMHSA-N	-2	0	370.343	-0.700	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC000364418268	245170168	/nfs/dbraw/zinc/17/01/68/245170168.db2.gz	PZJYRQXXEDWVRZ-LLVKDONJSA-N	-2	0	370.383	-0.394	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC000364418269	245169862	/nfs/dbraw/zinc/16/98/62/245169862.db2.gz	PZJYRQXXEDWVRZ-NSHDSACASA-N	-2	0	370.383	-0.394	20	0		FBADRL
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000366301735	245271448	/nfs/dbraw/zinc/27/14/48/245271448.db2.gz	DSNPQSPMTDDWQI-GHMZBOCLSA-N	-2	0	350.393	-0.375	20	0		FBADRL
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000366301736	245272037	/nfs/dbraw/zinc/27/20/37/245272037.db2.gz	DSNPQSPMTDDWQI-MNOVXSKESA-N	-2	0	350.393	-0.375	20	0		FBADRL
CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000366301737	245270603	/nfs/dbraw/zinc/27/06/03/245270603.db2.gz	DSNPQSPMTDDWQI-QWRGUYRKSA-N	-2	0	350.393	-0.375	20	0		FBADRL
CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000366301738	245271331	/nfs/dbraw/zinc/27/13/31/245271331.db2.gz	DSNPQSPMTDDWQI-WDEREUQCSA-N	-2	0	350.393	-0.375	20	0		FBADRL
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000366350352	245276022	/nfs/dbraw/zinc/27/60/22/245276022.db2.gz	XQOJARVOKQXGKX-LLVKDONJSA-N	-2	0	350.393	-0.422	20	0		FBADRL
CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000366350353	245273481	/nfs/dbraw/zinc/27/34/81/245273481.db2.gz	XQOJARVOKQXGKX-NSHDSACASA-N	-2	0	350.393	-0.422	20	0		FBADRL
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000367102328	245319194	/nfs/dbraw/zinc/31/91/94/245319194.db2.gz	VRPYVPVPKUXUEQ-LLVKDONJSA-N	-2	0	373.398	-0.202	20	0		FBADRL
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000367102331	245318952	/nfs/dbraw/zinc/31/89/52/245318952.db2.gz	VRPYVPVPKUXUEQ-NSHDSACASA-N	-2	0	373.398	-0.202	20	0		FBADRL
C[C@H]1COC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000367173765	245320241	/nfs/dbraw/zinc/32/02/41/245320241.db2.gz	RJLGEYRKDFZYSH-RCOVLWMOSA-N	-2	0	370.343	-0.701	20	0		FBADRL
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000367198607	536764949	/nfs/dbraw/zinc/76/49/49/536764949.db2.gz	DJNTYSVBHCGAEU-MUWHJKNJSA-N	-2	0	370.343	-0.701	20	0		FBADRL
CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000368630257	245386468	/nfs/dbraw/zinc/38/64/68/245386468.db2.gz	DHCKYBOTQBBLPZ-NEPJUHHUSA-N	-2	0	364.420	-0.128	20	0		FBADRL
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000368630265	245386929	/nfs/dbraw/zinc/38/69/29/245386929.db2.gz	DHCKYBOTQBBLPZ-NWDGAFQWSA-N	-2	0	364.420	-0.128	20	0		FBADRL
CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000368630266	245385967	/nfs/dbraw/zinc/38/59/67/245385967.db2.gz	DHCKYBOTQBBLPZ-RYUDHWBXSA-N	-2	0	364.420	-0.128	20	0		FBADRL
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000368630267	245386237	/nfs/dbraw/zinc/38/62/37/245386237.db2.gz	DHCKYBOTQBBLPZ-VXGBXAGGSA-N	-2	0	364.420	-0.128	20	0		FBADRL
O=C([O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOCC1	ZINC000370140270	484001064	/nfs/dbraw/zinc/00/10/64/484001064.db2.gz	ACTYLEISQJMSTE-UHFFFAOYSA-N	-2	0	370.343	-0.652	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)c2ccccc2)C1	ZINC000372267501	484135706	/nfs/dbraw/zinc/13/57/06/484135706.db2.gz	LITDRGMDOMTWRS-UHFFFAOYSA-N	-2	0	356.356	-0.688	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000372308477	484137029	/nfs/dbraw/zinc/13/70/29/484137029.db2.gz	JIKOBKXKRPMNRJ-NSHDSACASA-N	-2	0	362.404	-0.375	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC000372310444	484137363	/nfs/dbraw/zinc/13/73/63/484137363.db2.gz	UOIPBWVXKHQKNI-LBPRGKRZSA-N	-2	0	370.383	-0.252	20	0		FBADRL
CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000372314496	484137534	/nfs/dbraw/zinc/13/75/34/484137534.db2.gz	DJNTYSVBHCGAEU-HZGVNTEJSA-N	-2	0	370.343	-0.701	20	0		FBADRL
CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000372314497	245548374	/nfs/dbraw/zinc/54/83/74/245548374.db2.gz	DJNTYSVBHCGAEU-IMTBSYHQSA-N	-2	0	370.343	-0.701	20	0		FBADRL
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000372314498	484137074	/nfs/dbraw/zinc/13/70/74/484137074.db2.gz	DJNTYSVBHCGAEU-RCOVLWMOSA-N	-2	0	370.343	-0.701	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000373584368	484212462	/nfs/dbraw/zinc/21/24/62/484212462.db2.gz	LDHCKJLYMJHEKW-JTQLQIEISA-N	-2	0	362.404	-0.518	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000373584369	484212684	/nfs/dbraw/zinc/21/26/84/484212684.db2.gz	LDHCKJLYMJHEKW-SNVBAGLBSA-N	-2	0	362.404	-0.518	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000390346993	660534820	/nfs/dbraw/zinc/53/48/20/660534820.db2.gz	XPSKKFIVOYRSFZ-SNVBAGLBSA-N	-2	0	365.385	-0.314	20	0		FBADRL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1NC(C)=O	ZINC000391659366	660535240	/nfs/dbraw/zinc/53/52/40/660535240.db2.gz	OMPBPEGBAXRYEK-UHFFFAOYSA-N	-2	0	360.344	-0.187	20	0		FBADRL
NC(=O)COc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000392186333	600672974	/nfs/dbraw/zinc/67/29/74/600672974.db2.gz	CVUKAJCDYQJMHF-UHFFFAOYSA-N	-2	0	354.344	-0.367	20	0		FBADRL
NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000392215200	600674168	/nfs/dbraw/zinc/67/41/68/600674168.db2.gz	ORTITPIEWZZIIA-UHFFFAOYSA-N	-2	0	374.400	-0.443	20	0		FBADRL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nn1	ZINC000392269933	842306234	/nfs/dbraw/zinc/30/62/34/842306234.db2.gz	GXBWPAHAYNDLPF-UHFFFAOYSA-N	-2	0	359.295	-0.112	20	0		FBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1	ZINC000392283357	484505578	/nfs/dbraw/zinc/50/55/78/484505578.db2.gz	LJVOUWVUOXJMMH-UHFFFAOYSA-N	-2	0	368.371	-0.107	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(=O)n(C)c1=O	ZINC000392416865	484232411	/nfs/dbraw/zinc/23/24/11/484232411.db2.gz	ZHFWUJFCCQRDDH-UHFFFAOYSA-N	-2	0	355.328	-0.711	20	0		FBADRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000393094582	484468139	/nfs/dbraw/zinc/46/81/39/484468139.db2.gz	LOOYGFOHLQJOQJ-UHFFFAOYSA-N	-2	0	369.355	-0.408	20	0		FBADRL
Cn1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1	ZINC000398045627	679526941	/nfs/dbraw/zinc/52/69/41/679526941.db2.gz	AYYPQJDAAFDJGO-UHFFFAOYSA-N	-2	0	366.153	-0.258	20	0		FBADRL
CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O	ZINC000417443962	484008503	/nfs/dbraw/zinc/00/85/03/484008503.db2.gz	BLUDXPHTYCOZCE-HTQZYQBOSA-N	-2	0	361.342	-0.317	20	0		FBADRL
CC(C)[C@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O	ZINC000417443963	484008972	/nfs/dbraw/zinc/00/89/72/484008972.db2.gz	BLUDXPHTYCOZCE-JGVFFNPUSA-N	-2	0	361.342	-0.317	20	0		FBADRL
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O	ZINC000417443964	484008987	/nfs/dbraw/zinc/00/89/87/484008987.db2.gz	BLUDXPHTYCOZCE-SFYZADRCSA-N	-2	0	361.342	-0.317	20	0		FBADRL
CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C1=O	ZINC000417443965	484009185	/nfs/dbraw/zinc/00/91/85/484009185.db2.gz	BLUDXPHTYCOZCE-YUMQZZPRSA-N	-2	0	361.342	-0.317	20	0		FBADRL
O=C([O-])[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCS1(=O)=O	ZINC000424252286	484348727	/nfs/dbraw/zinc/34/87/27/484348727.db2.gz	WJANFYYREGYZLW-GFCCVEGCSA-N	-2	0	365.367	-0.098	20	0		FBADRL
O=C([O-])[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCS1(=O)=O	ZINC000424252287	484348788	/nfs/dbraw/zinc/34/87/88/484348788.db2.gz	WJANFYYREGYZLW-LBPRGKRZSA-N	-2	0	365.367	-0.098	20	0		FBADRL
CC(C)(C)c1nc(=NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s[n-]1	ZINC000424377952	484351570	/nfs/dbraw/zinc/35/15/70/484351570.db2.gz	FKINOCKKTONWAF-SSDOTTSWSA-N	-2	0	362.433	-0.027	20	0		FBADRL
CC(C)(C)c1nc(=NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s[n-]1	ZINC000424377954	484351604	/nfs/dbraw/zinc/35/16/04/484351604.db2.gz	FKINOCKKTONWAF-ZETCQYMHSA-N	-2	0	362.433	-0.027	20	0		FBADRL
O=C([O-])c1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000424393522	484351803	/nfs/dbraw/zinc/35/18/03/484351803.db2.gz	ANNWVOGFGLJIJH-LLVKDONJSA-N	-2	0	356.356	-0.222	20	0		FBADRL
O=C([O-])c1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1	ZINC000424393523	484351250	/nfs/dbraw/zinc/35/12/50/484351250.db2.gz	ANNWVOGFGLJIJH-NSHDSACASA-N	-2	0	356.356	-0.222	20	0		FBADRL
CCC(CC)(CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424423116	484358810	/nfs/dbraw/zinc/35/88/10/484358810.db2.gz	HCNWRUVESGMMNK-SECBINFHSA-N	-2	0	350.393	-0.229	20	0		FBADRL
CCC(CC)(CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424423118	484359067	/nfs/dbraw/zinc/35/90/67/484359067.db2.gz	HCNWRUVESGMMNK-VIFPVBQESA-N	-2	0	350.393	-0.229	20	0		FBADRL
CC(C)C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424423386	484358357	/nfs/dbraw/zinc/35/83/57/484358357.db2.gz	HHXZDXPXMCRBRU-NXEZZACHSA-N	-2	0	350.393	-0.374	20	0		FBADRL
CC(C)C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424423387	484358621	/nfs/dbraw/zinc/35/86/21/484358621.db2.gz	HHXZDXPXMCRBRU-UWVGGRQHSA-N	-2	0	350.393	-0.374	20	0		FBADRL
CC(C)C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424423389	484358328	/nfs/dbraw/zinc/35/83/28/484358328.db2.gz	HHXZDXPXMCRBRU-VHSXEESVSA-N	-2	0	350.393	-0.374	20	0		FBADRL
CC(C)C[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424423391	484358445	/nfs/dbraw/zinc/35/84/45/484358445.db2.gz	HHXZDXPXMCRBRU-ZJUUUORDSA-N	-2	0	350.393	-0.374	20	0		FBADRL
CCOC(=O)Cn1cnc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1	ZINC000425103033	484399538	/nfs/dbraw/zinc/39/95/38/484399538.db2.gz	HLEFKJNQRSJGRO-UHFFFAOYSA-N	-2	0	373.329	0.151	20	0		FBADRL
CO[C@H](CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000427797752	483948316	/nfs/dbraw/zinc/94/83/16/483948316.db2.gz	LKOSGGQNFHJZLS-GFCCVEGCSA-N	-2	0	373.387	-0.154	20	0		FBADRL
CO[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000427797775	483948424	/nfs/dbraw/zinc/94/84/24/483948424.db2.gz	LKOSGGQNFHJZLS-LBPRGKRZSA-N	-2	0	373.387	-0.154	20	0		FBADRL
NC(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n1	ZINC000433507721	483982496	/nfs/dbraw/zinc/98/24/96/483982496.db2.gz	CVKHCCMCISZZBV-UHFFFAOYSA-N	-2	0	354.344	-0.037	20	0		FBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1	ZINC000433517563	483982459	/nfs/dbraw/zinc/98/24/59/483982459.db2.gz	MQJKUYHIIZOWKT-UHFFFAOYSA-N	-2	0	354.344	-0.166	20	0		FBADRL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1	ZINC000436721462	484081220	/nfs/dbraw/zinc/08/12/20/484081220.db2.gz	KOHNAKDMYKZSKQ-UHFFFAOYSA-N	-2	0	354.344	-0.119	20	0		FBADRL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1	ZINC000436725616	484080900	/nfs/dbraw/zinc/08/09/00/484080900.db2.gz	SNVYHCFIWLYJHC-UHFFFAOYSA-N	-2	0	354.344	-0.119	20	0		FBADRL
O=C(NCc1n[nH]c(=O)[n-]1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000436962302	484085170	/nfs/dbraw/zinc/08/51/70/484085170.db2.gz	DTQMNXJVDCFRGR-UHFFFAOYSA-N	-2	0	367.387	-0.070	20	0		FBADRL
COC[C@H](CNC(=O)N=c1[n-]ncs1)NC(=O)N=c1[n-]ncs1	ZINC000437928695	484100529	/nfs/dbraw/zinc/10/05/29/484100529.db2.gz	RDRCGJMVNKZSSX-LURJTMIESA-N	-2	0	358.409	-0.808	20	0		FBADRL
COC[C@@H](CNC(=O)N=c1[n-]ncs1)NC(=O)N=c1[n-]ncs1	ZINC000437928700	484100796	/nfs/dbraw/zinc/10/07/96/484100796.db2.gz	RDRCGJMVNKZSSX-ZCFIWIBFSA-N	-2	0	358.409	-0.808	20	0		FBADRL
O=c1[n-]c(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n[nH]1	ZINC000439268461	483791275	/nfs/dbraw/zinc/79/12/75/483791275.db2.gz	BPTFJFRSCXECLD-UHFFFAOYSA-N	-2	0	358.346	-0.539	20	0		FBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000439694020	484135986	/nfs/dbraw/zinc/13/59/86/484135986.db2.gz	VBWZBFFDODQRJP-UHFFFAOYSA-N	-2	0	371.350	-0.197	20	0		FBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000439707831	484136154	/nfs/dbraw/zinc/13/61/54/484136154.db2.gz	ROPQLLCWJSQLJM-UHFFFAOYSA-N	-2	0	353.360	-0.336	20	0		FBADRL
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)[n-]1	ZINC000443512499	484260328	/nfs/dbraw/zinc/26/03/28/484260328.db2.gz	UUWZBXAGFAXCAX-UHFFFAOYSA-N	-2	0	372.341	-0.365	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000447635914	484347567	/nfs/dbraw/zinc/34/75/67/484347567.db2.gz	DXDPZTDMWBDKEM-UHFFFAOYSA-N	-2	0	356.360	-0.709	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC(C)(C)c2nnn[n-]2)c1	ZINC000467784352	484663990	/nfs/dbraw/zinc/66/39/90/484663990.db2.gz	FLQJZIPYHDKPPW-UHFFFAOYSA-N	-2	0	354.392	-0.179	20	0		FBADRL
CNC(=O)Cn1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cn1	ZINC000468000219	484666335	/nfs/dbraw/zinc/66/63/35/484666335.db2.gz	LRFNWIRFLYTLAU-UHFFFAOYSA-N	-2	0	357.330	-0.061	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000468777684	484693749	/nfs/dbraw/zinc/69/37/49/484693749.db2.gz	BCHQGJAPNRPBMV-UHFFFAOYSA-N	-2	0	369.403	-0.171	20	0		FBADRL
COC(=O)Cn1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1	ZINC000469162773	484266990	/nfs/dbraw/zinc/26/69/90/484266990.db2.gz	SOFIELWUFBFYFD-UHFFFAOYSA-N	-2	0	358.314	0.366	20	0		FBADRL
Cc1cc(C(=O)Nc2ccn(CCC(N)=O)n2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000469542796	484215293	/nfs/dbraw/zinc/21/52/93/484215293.db2.gz	RHWGXSNHNFHNAG-UHFFFAOYSA-N	-2	0	357.330	0.069	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000477037208	484887978	/nfs/dbraw/zinc/88/79/78/484887978.db2.gz	VGCBOUBRBLHUAL-UHFFFAOYSA-N	-2	0	352.376	-0.425	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1C(N)=O	ZINC000477521388	484902559	/nfs/dbraw/zinc/90/25/59/484902559.db2.gz	GLJPEVGHJARMEQ-UHFFFAOYSA-N	-2	0	363.359	-0.394	20	0		FBADRL
Cc1ccnc2nc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)nn21	ZINC000492148762	484424828	/nfs/dbraw/zinc/42/48/28/484424828.db2.gz	XYWSFFBLQMZAGZ-UHFFFAOYSA-N	-2	0	354.377	-0.092	20	0		FBADRL
Cc1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)ccc1OCC(=O)[O-]	ZINC000500310420	485276837	/nfs/dbraw/zinc/27/68/37/485276837.db2.gz	IPKPOAUKWZXHJK-UHFFFAOYSA-N	-2	0	368.371	-0.059	20	0		FBADRL
Cc1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)ccc1OCC(=O)[O-]	ZINC000500358715	485278782	/nfs/dbraw/zinc/27/87/82/485278782.db2.gz	NZRLBSLXTRTXEZ-UHFFFAOYSA-N	-2	0	368.371	-0.059	20	0		FBADRL
CNC(=O)Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C	ZINC000504280105	483974103	/nfs/dbraw/zinc/97/41/03/483974103.db2.gz	ONAZEGFWGQGKJW-UHFFFAOYSA-N	-2	0	355.376	-0.225	20	0		FBADRL
O=C(N=c1[n-]ncs1)NC[C@@H](NC(=O)N=c1[n-]ncs1)C1CC1	ZINC000504433499	483979901	/nfs/dbraw/zinc/97/99/01/483979901.db2.gz	IQLBZHRQGGPIFS-SSDOTTSWSA-N	-2	0	354.421	-0.045	20	0		FBADRL
O=C(N=c1[n-]ncs1)NC[C@H](NC(=O)N=c1[n-]ncs1)C1CC1	ZINC000504433500	483979371	/nfs/dbraw/zinc/97/93/71/483979371.db2.gz	IQLBZHRQGGPIFS-ZETCQYMHSA-N	-2	0	354.421	-0.045	20	0		FBADRL
CNS(=O)(=O)c1cc(NC(=O)c2cnc([O-])n(C)c2=O)ccc1[O-]	ZINC000509084332	484095984	/nfs/dbraw/zinc/09/59/84/484095984.db2.gz	VNDVPOPURVNJQE-UHFFFAOYSA-N	-2	0	354.344	-0.648	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1C(=O)[O-]	ZINC000509388078	484102786	/nfs/dbraw/zinc/10/27/86/484102786.db2.gz	PCAAXGWWSJWYBJ-UHFFFAOYSA-N	-2	0	366.355	-0.052	20	0		FBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cn1	ZINC000509557460	484105283	/nfs/dbraw/zinc/10/52/83/484105283.db2.gz	PLQHMCIEWYGLSN-UHFFFAOYSA-N	-2	0	372.334	-0.228	20	0		FBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)n1	ZINC000509584729	484105665	/nfs/dbraw/zinc/10/56/65/484105665.db2.gz	DKXAEAVQPXQXTD-UHFFFAOYSA-N	-2	0	372.334	-0.228	20	0		FBADRL
CC(=O)NCCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H](C)C(=O)[O-]	ZINC000510300594	484127309	/nfs/dbraw/zinc/12/73/09/484127309.db2.gz	WWGMNDZWGUBSOZ-SSDOTTSWSA-N	-2	0	363.330	-0.513	20	0		FBADRL
CC(=O)NCCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H](C)C(=O)[O-]	ZINC000510300695	484127376	/nfs/dbraw/zinc/12/73/76/484127376.db2.gz	WWGMNDZWGUBSOZ-ZETCQYMHSA-N	-2	0	363.330	-0.513	20	0		FBADRL
C[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000515650279	485304823	/nfs/dbraw/zinc/30/48/23/485304823.db2.gz	QABXGDDNICAVPE-GFCCVEGCSA-N	-2	0	352.315	-0.805	20	0		FBADRL
C[C@](O)(CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000515650280	485305094	/nfs/dbraw/zinc/30/50/94/485305094.db2.gz	QABXGDDNICAVPE-LBPRGKRZSA-N	-2	0	352.315	-0.805	20	0		FBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000516024087	485310032	/nfs/dbraw/zinc/31/00/32/485310032.db2.gz	RTPMNMBJUUMANJ-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000516415530	485317700	/nfs/dbraw/zinc/31/77/00/485317700.db2.gz	ZPLIKOILCWEQCK-UHFFFAOYSA-N	-2	0	354.344	-0.119	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CCCCC1	ZINC000517474733	484266814	/nfs/dbraw/zinc/26/68/14/484266814.db2.gz	NFUGEJFOBPVXEO-VIFPVBQESA-N	-2	0	351.377	-0.043	20	0		FBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1	ZINC000518083987	483760048	/nfs/dbraw/zinc/76/00/48/483760048.db2.gz	HQYCLYNLBOBWAV-UHFFFAOYSA-N	-2	0	354.344	-0.367	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-]	ZINC000518092124	483760933	/nfs/dbraw/zinc/76/09/33/483760933.db2.gz	HDYVPJFWEORNOG-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CCCC1	ZINC000519245029	484154233	/nfs/dbraw/zinc/15/42/33/484154233.db2.gz	JPGZAJNXUZYGQV-SECBINFHSA-N	-2	0	351.377	-0.185	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CCCC1	ZINC000519245030	484153522	/nfs/dbraw/zinc/15/35/22/484153522.db2.gz	JPGZAJNXUZYGQV-VIFPVBQESA-N	-2	0	351.377	-0.185	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])CCCCC1	ZINC000519621945	484179359	/nfs/dbraw/zinc/17/93/59/484179359.db2.gz	CSPCDWWTFSYYRW-UHFFFAOYSA-N	-2	0	351.377	-0.089	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]CCn1cc(C(=O)[O-])nn1	ZINC000522057245	484316626	/nfs/dbraw/zinc/31/66/26/484316626.db2.gz	MSIBEKHPMASAAZ-UHFFFAOYSA-N	-2	0	361.361	-0.802	20	0		FBADRL
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000524300901	484368950	/nfs/dbraw/zinc/36/89/50/484368950.db2.gz	UDRSSWCNJNJMDQ-UHFFFAOYSA-N	-2	0	355.376	-0.191	20	0		FBADRL
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000525522053	483693906	/nfs/dbraw/zinc/69/39/06/483693906.db2.gz	NEUMNSMCMYIYGE-UHFFFAOYSA-N	-2	0	371.375	-0.527	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c1C(=O)[O-]	ZINC000527246943	485142517	/nfs/dbraw/zinc/14/25/17/485142517.db2.gz	CXTDRKLSPYBGSB-UHFFFAOYSA-N	-2	0	360.373	-0.282	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-]	ZINC000530135991	484510290	/nfs/dbraw/zinc/51/02/90/484510290.db2.gz	DHDYZBNOFZEZQU-LLVKDONJSA-N	-2	0	368.367	-0.272	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)C(=O)[O-]	ZINC000530135992	484510236	/nfs/dbraw/zinc/51/02/36/484510236.db2.gz	DHDYZBNOFZEZQU-NSHDSACASA-N	-2	0	368.367	-0.272	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2	ZINC000530139730	484511138	/nfs/dbraw/zinc/51/11/38/484511138.db2.gz	NSOVGTXGEMJIPR-UHFFFAOYSA-N	-2	0	368.367	-0.318	20	0		FBADRL
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000530142977	484511169	/nfs/dbraw/zinc/51/11/69/484511169.db2.gz	MTFLWXHXCHPNHW-KNVOCYPGSA-N	-2	0	354.344	-0.080	20	0		FBADRL
CO[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-]	ZINC000530435957	483401346	/nfs/dbraw/zinc/40/13/46/483401346.db2.gz	IPSOFDICNFSWQN-LURJTMIESA-N	-2	0	358.332	-0.796	20	0		FBADRL
CO[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)CC(=O)[O-]	ZINC000530435958	483402013	/nfs/dbraw/zinc/40/20/13/483402013.db2.gz	IPSOFDICNFSWQN-ZCFIWIBFSA-N	-2	0	358.332	-0.796	20	0		FBADRL
CO[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CC(=O)[O-]	ZINC000530529538	483481179	/nfs/dbraw/zinc/48/11/79/483481179.db2.gz	GCQAXYUDVLTPNA-MRVPVSSYSA-N	-2	0	352.390	-0.747	20	0		FBADRL
CO[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CC(=O)[O-]	ZINC000530529539	483482033	/nfs/dbraw/zinc/48/20/33/483482033.db2.gz	GCQAXYUDVLTPNA-QMMMGPOBSA-N	-2	0	352.390	-0.747	20	0		FBADRL
COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000537170354	485251500	/nfs/dbraw/zinc/25/15/00/485251500.db2.gz	OQFFKOQGQQRIIO-VIFPVBQESA-N	-2	0	370.380	-0.991	20	0		FBADRL
O=S(=O)(CC(F)(F)F)[N-]CC[N-]S(=O)(=O)CC(F)(F)F	ZINC000537575839	485267087	/nfs/dbraw/zinc/26/70/87/485267087.db2.gz	IMZFQTRARXBZKO-UHFFFAOYSA-N	-2	0	352.278	-0.050	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1C(=O)[O-]	ZINC000537639117	485271373	/nfs/dbraw/zinc/27/13/73/485271373.db2.gz	GJSAPSLTKFRRLX-UHFFFAOYSA-N	-2	0	360.373	-0.434	20	0		FBADRL
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1	ZINC000537640187	485271294	/nfs/dbraw/zinc/27/12/94/485271294.db2.gz	HHZFJTGGMUBPRU-UHFFFAOYSA-N	-2	0	374.400	-0.173	20	0		FBADRL
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cn1C	ZINC000538091440	484528232	/nfs/dbraw/zinc/52/82/32/484528232.db2.gz	RLYULMCZABDFIY-UHFFFAOYSA-N	-2	0	355.376	-0.041	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1CC(=O)[O-]	ZINC000538138791	483619528	/nfs/dbraw/zinc/61/95/28/483619528.db2.gz	ZQWMYZNZACLTON-UHFFFAOYSA-N	-2	0	368.371	-0.195	20	0		FBADRL
O=C(COCC(=O)N=c1nc2ccccn2[n-]1)N=c1nc2ccccn2[n-]1	ZINC000538410559	484538719	/nfs/dbraw/zinc/53/87/19/484538719.db2.gz	AUZKFYDRFJPYCX-UHFFFAOYSA-N	-2	0	366.341	-0.790	20	0		FBADRL
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1	ZINC000539842426	484583977	/nfs/dbraw/zinc/58/39/77/484583977.db2.gz	ZJCPTKUGUQIPSH-UHFFFAOYSA-N	-2	0	374.400	-0.173	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1C(=O)[O-]	ZINC000540290963	484593358	/nfs/dbraw/zinc/59/33/58/484593358.db2.gz	KTISJKYTJIEZTN-UHFFFAOYSA-N	-2	0	365.327	-0.551	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1C(=O)[O-]	ZINC000540293653	484593074	/nfs/dbraw/zinc/59/30/74/484593074.db2.gz	BUIWHAWXDBQIKF-UHFFFAOYSA-N	-2	0	360.373	-0.434	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1C(=O)[O-]	ZINC000540294459	484593153	/nfs/dbraw/zinc/59/31/53/484593153.db2.gz	JPAIAAVZXOTELX-UHFFFAOYSA-N	-2	0	350.312	-0.197	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c1C(=O)[O-]	ZINC000540295009	484593171	/nfs/dbraw/zinc/59/31/71/484593171.db2.gz	ZJSGUQMEODMUFB-UHFFFAOYSA-N	-2	0	360.373	-0.434	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1CC(=O)[O-]	ZINC000540339770	484595909	/nfs/dbraw/zinc/59/59/09/484595909.db2.gz	YYTCLPKFSZTHBM-UHFFFAOYSA-N	-2	0	368.371	-0.195	20	0		FBADRL
NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000542841347	484658235	/nfs/dbraw/zinc/65/82/35/484658235.db2.gz	WMHFXKBMHKACHC-QMMMGPOBSA-N	-2	0	350.736	-0.355	20	0		FBADRL
NC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000542841470	484658355	/nfs/dbraw/zinc/65/83/55/484658355.db2.gz	IEKTUOLFCFVJEB-UHFFFAOYSA-N	-2	0	350.736	-0.401	20	0		FBADRL
NC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000542841775	484657703	/nfs/dbraw/zinc/65/77/03/484657703.db2.gz	WMHFXKBMHKACHC-MRVPVSSYSA-N	-2	0	350.736	-0.355	20	0		FBADRL
CCOC(CNC(=O)N=c1[n-]ncs1)CNC(=O)N=c1[n-]ncs1	ZINC000542932919	484662545	/nfs/dbraw/zinc/66/25/45/484662545.db2.gz	CYVSTRWPCBDGIT-UHFFFAOYSA-N	-2	0	372.436	-0.418	20	0		FBADRL
Cc1n[n-]c(=NC(=O)NCC(O)CNC(=O)N=c2[n-]nc(C)s2)s1	ZINC000545349968	484716003	/nfs/dbraw/zinc/71/60/03/484716003.db2.gz	FPRYECOYUOFHCX-UHFFFAOYSA-N	-2	0	372.436	-0.846	20	0		FBADRL
CN1CC[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1=O	ZINC000546733999	484747381	/nfs/dbraw/zinc/74/73/81/484747381.db2.gz	AQPWCTVDWWDYIC-JTQLQIEISA-N	-2	0	365.408	-0.294	20	0		FBADRL
CN1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1=O	ZINC000546734000	484747457	/nfs/dbraw/zinc/74/74/57/484747457.db2.gz	AQPWCTVDWWDYIC-SNVBAGLBSA-N	-2	0	365.408	-0.294	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-]	ZINC000547550824	484767570	/nfs/dbraw/zinc/76/75/70/484767570.db2.gz	CAFRPDLFHFXPJL-ZCFIWIBFSA-N	-2	0	364.719	-0.019	20	0		FBADRL
COC(=O)c1ccc(OC)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000547551884	484767959	/nfs/dbraw/zinc/76/79/59/484767959.db2.gz	SGAISXGVMAYJTK-UHFFFAOYSA-N	-2	0	361.328	-0.358	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547552973	484767398	/nfs/dbraw/zinc/76/73/98/484767398.db2.gz	HLWBLQMMHKJAEZ-SSDOTTSWSA-N	-2	0	351.358	-0.704	20	0		FBADRL
Cc1nn2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cnc2c1Cl	ZINC000547553058	484767970	/nfs/dbraw/zinc/76/79/70/484767970.db2.gz	KDQURNDBQLOWSF-SSDOTTSWSA-N	-2	0	362.751	-0.103	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000547553568	484767469	/nfs/dbraw/zinc/76/74/69/484767469.db2.gz	SBVOWVYGEUIWMY-VIFPVBQESA-N	-2	0	355.332	-0.917	20	0		FBADRL
CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000547554549	484767485	/nfs/dbraw/zinc/76/74/85/484767485.db2.gz	UZXPQYCXJNBBPC-SNVBAGLBSA-N	-2	0	365.385	-0.314	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccccc1Cn1cncn1	ZINC000547557410	484767327	/nfs/dbraw/zinc/76/73/27/484767327.db2.gz	LPXBARXRQUFQKH-UHFFFAOYSA-N	-2	0	354.344	-0.514	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1OC	ZINC000547557969	484767191	/nfs/dbraw/zinc/76/71/91/484767191.db2.gz	CGWOPDJAFSMZIX-UHFFFAOYSA-N	-2	0	361.328	-0.358	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547558368	484767280	/nfs/dbraw/zinc/76/72/80/484767280.db2.gz	YGNPCQQBAVIWGN-UHFFFAOYSA-N	-2	0	351.358	-0.750	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC000547558962	484767578	/nfs/dbraw/zinc/76/75/78/484767578.db2.gz	RGBXPNCJZQVENV-JTQLQIEISA-N	-2	0	354.344	-0.467	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000547571134	484768951	/nfs/dbraw/zinc/76/89/51/484768951.db2.gz	UOGJQVGYEAMGBH-NXEZZACHSA-N	-2	0	366.392	-0.729	20	0		FBADRL
CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000547571135	484768634	/nfs/dbraw/zinc/76/86/34/484768634.db2.gz	UOGJQVGYEAMGBH-UWVGGRQHSA-N	-2	0	366.392	-0.729	20	0		FBADRL
CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000547571136	484768523	/nfs/dbraw/zinc/76/85/23/484768523.db2.gz	UOGJQVGYEAMGBH-VHSXEESVSA-N	-2	0	366.392	-0.729	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000547571137	484768597	/nfs/dbraw/zinc/76/85/97/484768597.db2.gz	UOGJQVGYEAMGBH-ZJUUUORDSA-N	-2	0	366.392	-0.729	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC000547572286	484768766	/nfs/dbraw/zinc/76/87/66/484768766.db2.gz	QOWVNJIGVQHCFM-LLVKDONJSA-N	-2	0	368.371	-0.220	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC000547572290	484768890	/nfs/dbraw/zinc/76/88/90/484768890.db2.gz	QOWVNJIGVQHCFM-NSHDSACASA-N	-2	0	368.371	-0.220	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000547592517	484769929	/nfs/dbraw/zinc/76/99/29/484769929.db2.gz	GAHOXBMPGXGXOE-JTQLQIEISA-N	-2	0	365.385	-0.314	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)C[C@@H](C)O1	ZINC000547593591	484769910	/nfs/dbraw/zinc/76/99/10/484769910.db2.gz	XKRJYRJEVOLZIO-BREBYQMCSA-N	-2	0	350.393	-0.408	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)C[C@H](C)O1	ZINC000547593592	484770287	/nfs/dbraw/zinc/77/02/87/484770287.db2.gz	XKRJYRJEVOLZIO-CWSCBRNRSA-N	-2	0	350.393	-0.408	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)C[C@H](C)O1	ZINC000547593593	484770015	/nfs/dbraw/zinc/77/00/15/484770015.db2.gz	XKRJYRJEVOLZIO-GBIKHYSHSA-N	-2	0	350.393	-0.408	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)C[C@@H](C)O1	ZINC000547593594	484769729	/nfs/dbraw/zinc/76/97/29/484769729.db2.gz	XKRJYRJEVOLZIO-GIPNMCIBSA-N	-2	0	350.393	-0.408	20	0		FBADRL
CC1(C)CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CCO1	ZINC000547596103	484770258	/nfs/dbraw/zinc/77/02/58/484770258.db2.gz	CZEDEPKCHPQMJK-NXEZZACHSA-N	-2	0	350.393	-0.551	20	0		FBADRL
CC1(C)CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CCO1	ZINC000547596104	484770252	/nfs/dbraw/zinc/77/02/52/484770252.db2.gz	CZEDEPKCHPQMJK-UWVGGRQHSA-N	-2	0	350.393	-0.551	20	0		FBADRL
CC1(C)CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CCO1	ZINC000547596105	484770122	/nfs/dbraw/zinc/77/01/22/484770122.db2.gz	CZEDEPKCHPQMJK-VHSXEESVSA-N	-2	0	350.393	-0.551	20	0		FBADRL
CC1(C)CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CCO1	ZINC000547596106	484770245	/nfs/dbraw/zinc/77/02/45/484770245.db2.gz	CZEDEPKCHPQMJK-ZJUUUORDSA-N	-2	0	350.393	-0.551	20	0		FBADRL
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000547596172	484770010	/nfs/dbraw/zinc/77/00/10/484770010.db2.gz	OTURTERFIYEZSX-GUBZILKMSA-N	-2	0	351.377	-0.044	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000547596173	484770169	/nfs/dbraw/zinc/77/01/69/484770169.db2.gz	OTURTERFIYEZSX-KXUCPTDWSA-N	-2	0	351.377	-0.044	20	0		FBADRL
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000547596174	484769984	/nfs/dbraw/zinc/76/99/84/484769984.db2.gz	OTURTERFIYEZSX-LPEHRKFASA-N	-2	0	351.377	-0.044	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000547596176	484769776	/nfs/dbraw/zinc/76/97/76/484769776.db2.gz	OTURTERFIYEZSX-UTLUCORTSA-N	-2	0	351.377	-0.044	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000547596385	484769988	/nfs/dbraw/zinc/76/99/88/484769988.db2.gz	SPSJESAJQCMWFJ-QMMMGPOBSA-N	-2	0	365.385	-0.314	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c[nH]1	ZINC000547600399	484770226	/nfs/dbraw/zinc/77/02/26/484770226.db2.gz	WQCHJOYUFABAQZ-CYBMUJFWSA-N	-2	0	360.344	-0.259	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c[nH]1	ZINC000547600400	484769944	/nfs/dbraw/zinc/76/99/44/484769944.db2.gz	WQCHJOYUFABAQZ-ZDUSSCGKSA-N	-2	0	360.344	-0.259	20	0		FBADRL
CC1(C)CN(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)CCO1	ZINC000547602072	484770888	/nfs/dbraw/zinc/77/08/88/484770888.db2.gz	MUFPGNQBOZAHSP-CYBMUJFWSA-N	-2	0	350.393	-0.407	20	0		FBADRL
CC1(C)CN(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)CCO1	ZINC000547602073	484770971	/nfs/dbraw/zinc/77/09/71/484770971.db2.gz	MUFPGNQBOZAHSP-ZDUSSCGKSA-N	-2	0	350.393	-0.407	20	0		FBADRL
C[C@](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547609012	484770994	/nfs/dbraw/zinc/77/09/94/484770994.db2.gz	ODLMVUSKARCXSW-CYBMUJFWSA-N	-2	0	369.359	-0.494	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547609013	484771256	/nfs/dbraw/zinc/77/12/56/484771256.db2.gz	ODLMVUSKARCXSW-ZDUSSCGKSA-N	-2	0	369.359	-0.494	20	0		FBADRL
O=C([O-])[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCC1	ZINC000547610191	484770843	/nfs/dbraw/zinc/77/08/43/484770843.db2.gz	DIGPXQMBGFXVPI-SECBINFHSA-N	-2	0	354.344	-0.032	20	0		FBADRL
O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CCC1	ZINC000547610192	484770879	/nfs/dbraw/zinc/77/08/79/484770879.db2.gz	DIGPXQMBGFXVPI-VIFPVBQESA-N	-2	0	354.344	-0.032	20	0		FBADRL
C[C@](CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547612123	484771997	/nfs/dbraw/zinc/77/19/97/484771997.db2.gz	XZAUQFAMDRKGGF-NOZJJQNGSA-N	-2	0	361.376	-0.312	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547612124	484772377	/nfs/dbraw/zinc/77/23/77/484772377.db2.gz	XZAUQFAMDRKGGF-RNCFNFMXSA-N	-2	0	361.376	-0.312	20	0		FBADRL
C[C@](CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547612125	484772146	/nfs/dbraw/zinc/77/21/46/484772146.db2.gz	XZAUQFAMDRKGGF-TVQRCGJNSA-N	-2	0	361.376	-0.312	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547612126	484771723	/nfs/dbraw/zinc/77/17/23/484771723.db2.gz	XZAUQFAMDRKGGF-ZANVPECISA-N	-2	0	361.376	-0.312	20	0		FBADRL
C[C@](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)(CC(=O)[O-])C(=O)[O-]	ZINC000547615311	484771796	/nfs/dbraw/zinc/77/17/96/484771796.db2.gz	UZKZXHGDLXGZDY-CYBMUJFWSA-N	-2	0	369.359	-0.494	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1ccc(-n2cnnn2)cc1)(CC(=O)[O-])C(=O)[O-]	ZINC000547615312	484771915	/nfs/dbraw/zinc/77/19/15/484771915.db2.gz	UZKZXHGDLXGZDY-ZDUSSCGKSA-N	-2	0	369.359	-0.494	20	0		FBADRL
N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c(F)c1	ZINC000547616142	484772157	/nfs/dbraw/zinc/77/21/57/484772157.db2.gz	ZOJBOYXTYGTAFY-UHFFFAOYSA-N	-2	0	357.298	-0.009	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000547875669	484781810	/nfs/dbraw/zinc/78/18/10/484781810.db2.gz	AXMMSSMKIPRXJC-MRVPVSSYSA-N	-2	0	374.400	-0.134	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000547875671	484781831	/nfs/dbraw/zinc/78/18/31/484781831.db2.gz	AXMMSSMKIPRXJC-QMMMGPOBSA-N	-2	0	374.400	-0.134	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-]	ZINC000547876077	484782349	/nfs/dbraw/zinc/78/23/49/484782349.db2.gz	JOETWQKGAHAUPT-SECBINFHSA-N	-2	0	363.369	-0.777	20	0		FBADRL
O=C([O-])[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCOC1	ZINC000547877446	484782256	/nfs/dbraw/zinc/78/22/56/484782256.db2.gz	OBGXDWSVNOCDEC-HZGVNTEJSA-N	-2	0	370.343	-0.796	20	0		FBADRL
O=C([O-])[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCOC1	ZINC000547877451	484782199	/nfs/dbraw/zinc/78/21/99/484782199.db2.gz	OBGXDWSVNOCDEC-IMTBSYHQSA-N	-2	0	370.343	-0.796	20	0		FBADRL
O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H]1CCOC1	ZINC000547877453	484781785	/nfs/dbraw/zinc/78/17/85/484781785.db2.gz	OBGXDWSVNOCDEC-MUWHJKNJSA-N	-2	0	370.343	-0.796	20	0		FBADRL
O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H]1CCOC1	ZINC000547877454	484782557	/nfs/dbraw/zinc/78/25/57/484782557.db2.gz	OBGXDWSVNOCDEC-RCOVLWMOSA-N	-2	0	370.343	-0.796	20	0		FBADRL
Cc1c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cnn1-c1ccccn1	ZINC000547877476	484782119	/nfs/dbraw/zinc/78/21/19/484782119.db2.gz	XLSHVNOLYPANGZ-SECBINFHSA-N	-2	0	354.344	-0.218	20	0		FBADRL
CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000547878859	484781927	/nfs/dbraw/zinc/78/19/27/484781927.db2.gz	FVRAVWOFETZLFS-MRVPVSSYSA-N	-2	0	358.328	-0.179	20	0		FBADRL
CCn1c(=O)oc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21	ZINC000547880412	484781780	/nfs/dbraw/zinc/78/17/80/484781780.db2.gz	JVLDCMWGOCMKSA-UHFFFAOYSA-N	-2	0	358.328	-0.226	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1OC	ZINC000547880924	484781953	/nfs/dbraw/zinc/78/19/53/484781953.db2.gz	AGRVWPSBMRNKNI-SECBINFHSA-N	-2	0	361.328	-0.312	20	0		FBADRL
Cc1nn2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cnc2c1Cl	ZINC000547881450	484781765	/nfs/dbraw/zinc/78/17/65/484781765.db2.gz	LLUUDKBZJIMUAX-UHFFFAOYSA-N	-2	0	362.751	-0.149	20	0		FBADRL
Cc1c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cnn1-c1ccccn1	ZINC000547882872	484782249	/nfs/dbraw/zinc/78/22/49/484782249.db2.gz	XLSHVNOLYPANGZ-VIFPVBQESA-N	-2	0	354.344	-0.218	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2C1=O	ZINC000547883066	484782371	/nfs/dbraw/zinc/78/23/71/484782371.db2.gz	VISRZPASKIKDSX-UHFFFAOYSA-N	-2	0	356.312	-0.928	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000547895055	484783183	/nfs/dbraw/zinc/78/31/83/484783183.db2.gz	QPHJDZQSKIDSRW-JTQLQIEISA-N	-2	0	359.356	-0.144	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000547895216	484783790	/nfs/dbraw/zinc/78/37/90/484783790.db2.gz	QPHJDZQSKIDSRW-SNVBAGLBSA-N	-2	0	359.356	-0.144	20	0		FBADRL
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000547912447	484783732	/nfs/dbraw/zinc/78/37/32/484783732.db2.gz	AMZQPIHHCMLAAY-MRVPVSSYSA-N	-2	0	358.332	-0.844	20	0		FBADRL
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000547912448	484783634	/nfs/dbraw/zinc/78/36/34/484783634.db2.gz	AMZQPIHHCMLAAY-QMMMGPOBSA-N	-2	0	358.332	-0.844	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000547912670	484783470	/nfs/dbraw/zinc/78/34/70/484783470.db2.gz	HBIHCRKMYYTZNX-NSHDSACASA-N	-2	0	359.356	-0.002	20	0		FBADRL
COC(=O)c1coc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000547918629	484784795	/nfs/dbraw/zinc/78/47/95/484784795.db2.gz	DEUQZGFUTOPEFK-BDAKNGLRSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)c1coc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000547918630	484784282	/nfs/dbraw/zinc/78/42/82/484784282.db2.gz	DEUQZGFUTOPEFK-DTWKUNHWSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)c1coc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000547918631	484784142	/nfs/dbraw/zinc/78/41/42/484784142.db2.gz	DEUQZGFUTOPEFK-IUCAKERBSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)c1coc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000547918632	484784729	/nfs/dbraw/zinc/78/47/29/484784729.db2.gz	DEUQZGFUTOPEFK-RKDXNWHRSA-N	-2	0	361.328	-0.138	20	0		FBADRL
C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C(=O)[O-]	ZINC000547919803	484784357	/nfs/dbraw/zinc/78/43/57/484784357.db2.gz	HFNGZXVSLSGLRV-HZGVNTEJSA-N	-2	0	354.344	-0.080	20	0		FBADRL
C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H]1C(=O)[O-]	ZINC000547919805	484784580	/nfs/dbraw/zinc/78/45/80/484784580.db2.gz	HFNGZXVSLSGLRV-IMTBSYHQSA-N	-2	0	354.344	-0.080	20	0		FBADRL
C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C(=O)[O-]	ZINC000547919808	484784374	/nfs/dbraw/zinc/78/43/74/484784374.db2.gz	HFNGZXVSLSGLRV-MUWHJKNJSA-N	-2	0	354.344	-0.080	20	0		FBADRL
C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1C(=O)[O-]	ZINC000547919809	484784701	/nfs/dbraw/zinc/78/47/01/484784701.db2.gz	HFNGZXVSLSGLRV-RCOVLWMOSA-N	-2	0	354.344	-0.080	20	0		FBADRL
Cn1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cc1C(N)=O	ZINC000547923010	484784571	/nfs/dbraw/zinc/78/45/71/484784571.db2.gz	OOIHNKFWYOWKPP-CYBMUJFWSA-N	-2	0	359.360	-0.936	20	0		FBADRL
Cn1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cc1C(N)=O	ZINC000547923011	484784323	/nfs/dbraw/zinc/78/43/23/484784323.db2.gz	OOIHNKFWYOWKPP-ZDUSSCGKSA-N	-2	0	359.360	-0.936	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1C	ZINC000547923114	484784611	/nfs/dbraw/zinc/78/46/11/484784611.db2.gz	MVTATPTXBICUQB-AWEZNQCLSA-N	-2	0	374.371	-0.248	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1C	ZINC000547923117	484784776	/nfs/dbraw/zinc/78/47/76/484784776.db2.gz	MVTATPTXBICUQB-CQSZACIVSA-N	-2	0	374.371	-0.248	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1C	ZINC000547931483	484785637	/nfs/dbraw/zinc/78/56/37/484785637.db2.gz	ARSSUBSTFQWTDL-CYBMUJFWSA-N	-2	0	362.360	-0.344	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1C	ZINC000547931484	484785857	/nfs/dbraw/zinc/78/58/57/484785857.db2.gz	ARSSUBSTFQWTDL-ZDUSSCGKSA-N	-2	0	362.360	-0.344	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1C	ZINC000547933641	484785606	/nfs/dbraw/zinc/78/56/06/484785606.db2.gz	ZIIYIOZFVAQKEV-CYBMUJFWSA-N	-2	0	361.376	-0.771	20	0		FBADRL
CNC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1C	ZINC000547933646	484785747	/nfs/dbraw/zinc/78/57/47/484785747.db2.gz	ZIIYIOZFVAQKEV-ZDUSSCGKSA-N	-2	0	361.376	-0.771	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1	ZINC000547934280	484785997	/nfs/dbraw/zinc/78/59/97/484785997.db2.gz	LLENLUYFFUYISZ-CYBMUJFWSA-N	-2	0	360.344	-0.288	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1	ZINC000547934281	484785693	/nfs/dbraw/zinc/78/56/93/484785693.db2.gz	LLENLUYFFUYISZ-ZDUSSCGKSA-N	-2	0	360.344	-0.288	20	0		FBADRL
C[C@](CNS(=O)(=O)c1cnn(CC(F)F)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547963642	484786547	/nfs/dbraw/zinc/78/65/47/484786547.db2.gz	DSDDDDBPHBMQGE-LLVKDONJSA-N	-2	0	355.319	-0.008	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1cnn(CC(F)F)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547963644	484787029	/nfs/dbraw/zinc/78/70/29/484787029.db2.gz	DSDDDDBPHBMQGE-NSHDSACASA-N	-2	0	355.319	-0.008	20	0		FBADRL
COc1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)nn1C	ZINC000548150309	484417443	/nfs/dbraw/zinc/41/74/43/484417443.db2.gz	CPDWKRJUOKLGQQ-UHFFFAOYSA-N	-2	0	368.371	0.044	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000548200614	484796218	/nfs/dbraw/zinc/79/62/18/484796218.db2.gz	SBVOWVYGEUIWMY-SECBINFHSA-N	-2	0	355.332	-0.917	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc2C1=O	ZINC000548204805	484796359	/nfs/dbraw/zinc/79/63/59/484796359.db2.gz	QNQQMXPTYBOGLP-SECBINFHSA-N	-2	0	356.312	-0.881	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-]	ZINC000548205951	484796401	/nfs/dbraw/zinc/79/64/01/484796401.db2.gz	JOETWQKGAHAUPT-VIFPVBQESA-N	-2	0	363.369	-0.777	20	0		FBADRL
CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000548207127	484795726	/nfs/dbraw/zinc/79/57/26/484795726.db2.gz	FVRAVWOFETZLFS-QMMMGPOBSA-N	-2	0	358.328	-0.179	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000548207474	484795719	/nfs/dbraw/zinc/79/57/19/484795719.db2.gz	JXALLXKGRRDIRR-UHFFFAOYSA-N	-2	0	363.369	-0.824	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC000548208076	484796234	/nfs/dbraw/zinc/79/62/34/484796234.db2.gz	RGBXPNCJZQVENV-SNVBAGLBSA-N	-2	0	354.344	-0.467	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc2C1=O	ZINC000548208146	484795879	/nfs/dbraw/zinc/79/58/79/484795879.db2.gz	QNQQMXPTYBOGLP-VIFPVBQESA-N	-2	0	356.312	-0.881	20	0		FBADRL
CCS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000548208564	484796183	/nfs/dbraw/zinc/79/61/83/484796183.db2.gz	XQAIEKZCGQCDNP-UHFFFAOYSA-N	-2	0	365.385	-0.360	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2	ZINC000548208721	484796014	/nfs/dbraw/zinc/79/60/14/484796014.db2.gz	YIVWBDRCTNDQLR-UHFFFAOYSA-N	-2	0	368.367	-0.318	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548209095	484797591	/nfs/dbraw/zinc/79/75/91/484797591.db2.gz	HLWBLQMMHKJAEZ-ZETCQYMHSA-N	-2	0	351.358	-0.704	20	0		FBADRL
CS(=O)(=O)Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000548209097	484797755	/nfs/dbraw/zinc/79/77/55/484797755.db2.gz	HMNSWGGTGBOOAW-UHFFFAOYSA-N	-2	0	365.385	-0.609	20	0		FBADRL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C(=O)N(C)C	ZINC000548209200	484797444	/nfs/dbraw/zinc/79/74/44/484797444.db2.gz	JVDLNMGMCKOEJH-UHFFFAOYSA-N	-2	0	374.371	-0.443	20	0		FBADRL
Cc1nn2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cnc2c1Cl	ZINC000548209217	484796902	/nfs/dbraw/zinc/79/69/02/484796902.db2.gz	KDQURNDBQLOWSF-ZETCQYMHSA-N	-2	0	362.751	-0.103	20	0		FBADRL
CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548209681	484797744	/nfs/dbraw/zinc/79/77/44/484797744.db2.gz	UZXPQYCXJNBBPC-JTQLQIEISA-N	-2	0	365.385	-0.314	20	0		FBADRL
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1C	ZINC000548210289	484797500	/nfs/dbraw/zinc/79/75/00/484797500.db2.gz	JKZLMNFARGBJOQ-UHFFFAOYSA-N	-2	0	362.360	-0.032	20	0		FBADRL
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000548210538	484797459	/nfs/dbraw/zinc/79/74/59/484797459.db2.gz	WFKRTMUTHYNOSP-UHFFFAOYSA-N	-2	0	360.344	-0.187	20	0		FBADRL
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548217902	484797283	/nfs/dbraw/zinc/79/72/83/484797283.db2.gz	FADOKVJENSTCMG-SVGQVSJJSA-N	-2	0	372.384	-0.027	20	0		FBADRL
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548217903	484797043	/nfs/dbraw/zinc/79/70/43/484797043.db2.gz	FADOKVJENSTCMG-XNCJUZBTSA-N	-2	0	372.384	-0.027	20	0		FBADRL
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548217904	484797569	/nfs/dbraw/zinc/79/75/69/484797569.db2.gz	FADOKVJENSTCMG-XRGYYRRGSA-N	-2	0	372.384	-0.027	20	0		FBADRL
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548217905	484797674	/nfs/dbraw/zinc/79/76/74/484797674.db2.gz	FADOKVJENSTCMG-YLWLKBPMSA-N	-2	0	372.384	-0.027	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548218241	484797438	/nfs/dbraw/zinc/79/74/38/484797438.db2.gz	XDBKBVXUWNSFLR-AEJSXWLSSA-N	-2	0	351.377	-0.187	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548218242	484797659	/nfs/dbraw/zinc/79/76/59/484797659.db2.gz	XDBKBVXUWNSFLR-BBBLOLIVSA-N	-2	0	351.377	-0.187	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548218243	484796947	/nfs/dbraw/zinc/79/69/47/484796947.db2.gz	XDBKBVXUWNSFLR-IVZWLZJFSA-N	-2	0	351.377	-0.187	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548218244	484797365	/nfs/dbraw/zinc/79/73/65/484797365.db2.gz	XDBKBVXUWNSFLR-OPRDCNLKSA-N	-2	0	351.377	-0.187	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-]	ZINC000548218524	484796960	/nfs/dbraw/zinc/79/69/60/484796960.db2.gz	LLAPRZCEXXUYNK-SECBINFHSA-N	-2	0	354.340	-0.018	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-]	ZINC000548218525	484797468	/nfs/dbraw/zinc/79/74/68/484797468.db2.gz	LLAPRZCEXXUYNK-VIFPVBQESA-N	-2	0	354.340	-0.018	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548219710	484797581	/nfs/dbraw/zinc/79/75/81/484797581.db2.gz	QXNMWQIIMWBSGA-MRVPVSSYSA-N	-2	0	365.385	-0.456	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548219742	484797721	/nfs/dbraw/zinc/79/77/21/484797721.db2.gz	QXNMWQIIMWBSGA-QMMMGPOBSA-N	-2	0	365.385	-0.456	20	0		FBADRL
CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000548221106	484797793	/nfs/dbraw/zinc/79/77/93/484797793.db2.gz	PHKAWCUOHLRCKI-JTQLQIEISA-N	-2	0	366.392	-0.729	20	0		FBADRL
CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000548221107	484797683	/nfs/dbraw/zinc/79/76/83/484797683.db2.gz	PHKAWCUOHLRCKI-SNVBAGLBSA-N	-2	0	366.392	-0.729	20	0		FBADRL
COC(=O)c1nscc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548224362	484796924	/nfs/dbraw/zinc/79/69/24/484796924.db2.gz	AGTWGQFWOVOTLG-RXMQYKEDSA-N	-2	0	352.346	-0.617	20	0		FBADRL
COC(=O)c1nscc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548224363	484797091	/nfs/dbraw/zinc/79/70/91/484797091.db2.gz	AGTWGQFWOVOTLG-YFKPBYRVSA-N	-2	0	352.346	-0.617	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000548231320	484798705	/nfs/dbraw/zinc/79/87/05/484798705.db2.gz	BJRKRUHRITXNJX-JTQLQIEISA-N	-2	0	369.359	-0.527	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000548232520	484798868	/nfs/dbraw/zinc/79/88/68/484798868.db2.gz	OWLNGASMSDEVEE-JTQLQIEISA-N	-2	0	355.332	-0.741	20	0		FBADRL
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548236979	484798398	/nfs/dbraw/zinc/79/83/98/484798398.db2.gz	QDQIPFWJYDFVJH-SSDOTTSWSA-N	-2	0	372.359	-0.718	20	0		FBADRL
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548236980	484798763	/nfs/dbraw/zinc/79/87/63/484798763.db2.gz	QDQIPFWJYDFVJH-ZETCQYMHSA-N	-2	0	372.359	-0.718	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2C1=O	ZINC000548243890	484798845	/nfs/dbraw/zinc/79/88/45/484798845.db2.gz	DRMUYYQWMHZKFK-JTQLQIEISA-N	-2	0	370.339	-0.491	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000548244427	484798514	/nfs/dbraw/zinc/79/85/14/484798514.db2.gz	LSORTHLCGIQGJZ-AWEZNQCLSA-N	-2	0	372.355	-0.192	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000548244428	484798534	/nfs/dbraw/zinc/79/85/34/484798534.db2.gz	LSORTHLCGIQGJZ-CQSZACIVSA-N	-2	0	372.355	-0.192	20	0		FBADRL
COCCN(CCOC)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000548248416	484799699	/nfs/dbraw/zinc/79/96/99/484799699.db2.gz	QPSQZQGCHSUSON-CYBMUJFWSA-N	-2	0	368.408	-0.923	20	0		FBADRL
COCCN(CCOC)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000548248417	484800135	/nfs/dbraw/zinc/80/01/35/484800135.db2.gz	QPSQZQGCHSUSON-ZDUSSCGKSA-N	-2	0	368.408	-0.923	20	0		FBADRL
CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000548248924	484799404	/nfs/dbraw/zinc/79/94/04/484799404.db2.gz	UNFJXUQRIBCEHD-NXEZZACHSA-N	-2	0	351.377	-0.233	20	0		FBADRL
CCOC(=O)CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000548248925	484799485	/nfs/dbraw/zinc/79/94/85/484799485.db2.gz	UNFJXUQRIBCEHD-UWVGGRQHSA-N	-2	0	351.377	-0.233	20	0		FBADRL
CCOC(=O)CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000548248926	484799906	/nfs/dbraw/zinc/79/99/06/484799906.db2.gz	UNFJXUQRIBCEHD-VHSXEESVSA-N	-2	0	351.377	-0.233	20	0		FBADRL
CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000548248927	484799959	/nfs/dbraw/zinc/79/99/59/484799959.db2.gz	UNFJXUQRIBCEHD-ZJUUUORDSA-N	-2	0	351.377	-0.233	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)o1	ZINC000548250809	484799449	/nfs/dbraw/zinc/79/94/49/484799449.db2.gz	ZINTXAPANGSIGC-HTQZYQBOSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)o1	ZINC000548250810	484799664	/nfs/dbraw/zinc/79/96/64/484799664.db2.gz	ZINTXAPANGSIGC-JGVFFNPUSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)o1	ZINC000548250811	484799924	/nfs/dbraw/zinc/79/99/24/484799924.db2.gz	ZINTXAPANGSIGC-SFYZADRCSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)o1	ZINC000548250812	484799532	/nfs/dbraw/zinc/79/95/32/484799532.db2.gz	ZINTXAPANGSIGC-YUMQZZPRSA-N	-2	0	361.328	-0.138	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CC1	ZINC000548252725	484800207	/nfs/dbraw/zinc/80/02/07/484800207.db2.gz	MJECDQDZRGDUDF-NXEZZACHSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CC1	ZINC000548252726	484800102	/nfs/dbraw/zinc/80/01/02/484800102.db2.gz	MJECDQDZRGDUDF-UWVGGRQHSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CC1	ZINC000548252727	484799799	/nfs/dbraw/zinc/79/97/99/484799799.db2.gz	MJECDQDZRGDUDF-VHSXEESVSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CC1	ZINC000548252728	484800072	/nfs/dbraw/zinc/80/00/72/484800072.db2.gz	MJECDQDZRGDUDF-ZJUUUORDSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)CC1	ZINC000548253263	484800095	/nfs/dbraw/zinc/80/00/95/484800095.db2.gz	GFZGRUJEJGMPAB-AWEZNQCLSA-N	-2	0	363.388	-0.089	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)CC1	ZINC000548253264	484799689	/nfs/dbraw/zinc/79/96/89/484799689.db2.gz	GFZGRUJEJGMPAB-CQSZACIVSA-N	-2	0	363.388	-0.089	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000548253765	484799307	/nfs/dbraw/zinc/79/93/07/484799307.db2.gz	UFVQDVDDAKCNAO-NXEZZACHSA-N	-2	0	372.355	-0.336	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000548253766	484799681	/nfs/dbraw/zinc/79/96/81/484799681.db2.gz	UFVQDVDDAKCNAO-UWVGGRQHSA-N	-2	0	372.355	-0.336	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000548253767	484800036	/nfs/dbraw/zinc/80/00/36/484800036.db2.gz	UFVQDVDDAKCNAO-VHSXEESVSA-N	-2	0	372.355	-0.336	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000548253768	484800080	/nfs/dbraw/zinc/80/00/80/484800080.db2.gz	UFVQDVDDAKCNAO-ZJUUUORDSA-N	-2	0	372.355	-0.336	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548261340	484800044	/nfs/dbraw/zinc/80/00/44/484800044.db2.gz	CIEWUEXDADVLOQ-NOZJJQNGSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548261341	484800221	/nfs/dbraw/zinc/80/02/21/484800221.db2.gz	CIEWUEXDADVLOQ-RNCFNFMXSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548261342	484799377	/nfs/dbraw/zinc/79/93/77/484799377.db2.gz	CIEWUEXDADVLOQ-TVQRCGJNSA-N	-2	0	366.392	-0.586	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548261343	484800747	/nfs/dbraw/zinc/80/07/47/484800747.db2.gz	CIEWUEXDADVLOQ-ZANVPECISA-N	-2	0	366.392	-0.586	20	0		FBADRL
O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000548261566	484801219	/nfs/dbraw/zinc/80/12/19/484801219.db2.gz	CQPAPCHGYPRELX-BQBZGAKWSA-N	-2	0	352.328	-0.256	20	0		FBADRL
O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000548261567	484801156	/nfs/dbraw/zinc/80/11/56/484801156.db2.gz	CQPAPCHGYPRELX-NKWVEPMBSA-N	-2	0	352.328	-0.256	20	0		FBADRL
O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000548261568	484800707	/nfs/dbraw/zinc/80/07/07/484800707.db2.gz	CQPAPCHGYPRELX-RNFRBKRXSA-N	-2	0	352.328	-0.256	20	0		FBADRL
O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000548261569	484800734	/nfs/dbraw/zinc/80/07/34/484800734.db2.gz	CQPAPCHGYPRELX-RQJHMYQMSA-N	-2	0	352.328	-0.256	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262533	484800541	/nfs/dbraw/zinc/80/05/41/484800541.db2.gz	IVEDNTZPUIQXAQ-LLVKDONJSA-N	-3	0	366.373	-0.226	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262538	484801142	/nfs/dbraw/zinc/80/11/42/484801142.db2.gz	IVEDNTZPUIQXAQ-NSHDSACASA-N	-3	0	366.373	-0.226	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])CC1	ZINC000548262565	484801241	/nfs/dbraw/zinc/80/12/41/484801241.db2.gz	JJYUBNJTHOKGBH-GFCCVEGCSA-N	-2	0	351.377	-0.185	20	0		FBADRL
COC(=O)CC1(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])CC1	ZINC000548262571	484801396	/nfs/dbraw/zinc/80/13/96/484801396.db2.gz	JJYUBNJTHOKGBH-LBPRGKRZSA-N	-2	0	351.377	-0.185	20	0		FBADRL
COC(=O)c1nscc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262782	484801444	/nfs/dbraw/zinc/80/14/44/484801444.db2.gz	AGLSQANTPQVTGF-LLVKDONJSA-N	-2	0	366.373	-0.226	20	0		FBADRL
COC(=O)c1nscc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262784	484801195	/nfs/dbraw/zinc/80/11/95/484801195.db2.gz	AGLSQANTPQVTGF-NSHDSACASA-N	-2	0	366.373	-0.226	20	0		FBADRL
CN(CC(=O)[O-])S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000548432806	484808437	/nfs/dbraw/zinc/80/84/37/484808437.db2.gz	PZLWFWSQIABKAR-SECBINFHSA-N	-2	0	356.356	-0.171	20	0		FBADRL
CN(CC(=O)[O-])S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000548432807	484808289	/nfs/dbraw/zinc/80/82/89/484808289.db2.gz	PZLWFWSQIABKAR-VIFPVBQESA-N	-2	0	356.356	-0.171	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000548531030	484811876	/nfs/dbraw/zinc/81/18/76/484811876.db2.gz	OOVRKLHABXAOLF-UHFFFAOYSA-N	-2	0	359.360	-0.589	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-]	ZINC000548531634	484811746	/nfs/dbraw/zinc/81/17/46/484811746.db2.gz	SGWHFUYSDHMRIH-NSHDSACASA-N	-2	0	368.367	-0.272	20	0		FBADRL
Cc1c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cnn1-c1ccccn1	ZINC000548532341	484813923	/nfs/dbraw/zinc/81/39/23/484813923.db2.gz	RHYAJYNCYBKSOB-UHFFFAOYSA-N	-2	0	354.344	-0.264	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)N(C)C	ZINC000548532446	484813440	/nfs/dbraw/zinc/81/34/40/484813440.db2.gz	VYPSHBNOGBHRSY-JTQLQIEISA-N	-2	0	374.371	-0.397	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-]	ZINC000548533889	484813602	/nfs/dbraw/zinc/81/36/02/484813602.db2.gz	CAFRPDLFHFXPJL-LURJTMIESA-N	-2	0	364.719	-0.019	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1F	ZINC000548536704	484813582	/nfs/dbraw/zinc/81/35/82/484813582.db2.gz	PKOWJYWHLFNSLL-UHFFFAOYSA-N	-2	0	369.348	-0.611	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2)C(=O)[O-]	ZINC000548536762	484813763	/nfs/dbraw/zinc/81/37/63/484813763.db2.gz	SGWHFUYSDHMRIH-LLVKDONJSA-N	-2	0	368.367	-0.272	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)N(C)C	ZINC000548539351	484813222	/nfs/dbraw/zinc/81/32/22/484813222.db2.gz	VYPSHBNOGBHRSY-SNVBAGLBSA-N	-2	0	374.371	-0.397	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000548546151	484813717	/nfs/dbraw/zinc/81/37/17/484813717.db2.gz	DUYJFYSWLCZDQE-SECBINFHSA-N	-2	0	369.359	-0.669	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000548546232	484813275	/nfs/dbraw/zinc/81/32/75/484813275.db2.gz	DUYJFYSWLCZDQE-VIFPVBQESA-N	-2	0	369.359	-0.669	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000548548414	484813501	/nfs/dbraw/zinc/81/35/01/484813501.db2.gz	ITPWSQMEWZCMIB-UHFFFAOYSA-N	-2	0	364.719	-0.066	20	0		FBADRL
COCCN(CCC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548564009	484814737	/nfs/dbraw/zinc/81/47/37/484814737.db2.gz	HPDYBNWLZUYOCC-UHFFFAOYSA-N	-2	0	372.359	-0.452	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC000548573519	484814608	/nfs/dbraw/zinc/81/46/08/484814608.db2.gz	MXUUXFQLTLCFAG-NSHDSACASA-N	-2	0	368.371	-0.077	20	0		FBADRL
CCOC(=O)CCCS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000548575973	484816093	/nfs/dbraw/zinc/81/60/93/484816093.db2.gz	FGRXJGOZGDTXKE-CYBMUJFWSA-N	-2	0	351.377	-0.089	20	0		FBADRL
CCOC(=O)CCCS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000548575974	484815912	/nfs/dbraw/zinc/81/59/12/484815912.db2.gz	FGRXJGOZGDTXKE-ZDUSSCGKSA-N	-2	0	351.377	-0.089	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1C	ZINC000548579081	484816356	/nfs/dbraw/zinc/81/63/56/484816356.db2.gz	BSISGQLCSSLORO-NXEZZACHSA-N	-2	0	374.371	-0.392	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1C	ZINC000548579082	484816266	/nfs/dbraw/zinc/81/62/66/484816266.db2.gz	BSISGQLCSSLORO-UWVGGRQHSA-N	-2	0	374.371	-0.392	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1C	ZINC000548579083	484815587	/nfs/dbraw/zinc/81/55/87/484815587.db2.gz	BSISGQLCSSLORO-VHSXEESVSA-N	-2	0	374.371	-0.392	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1C	ZINC000548579084	484816045	/nfs/dbraw/zinc/81/60/45/484816045.db2.gz	BSISGQLCSSLORO-ZJUUUORDSA-N	-2	0	374.371	-0.392	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])CC1	ZINC000548588697	484815651	/nfs/dbraw/zinc/81/56/51/484815651.db2.gz	RTBFEANVDXCYFS-CYBMUJFWSA-N	-2	0	366.392	-0.729	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])CC1	ZINC000548588698	484816009	/nfs/dbraw/zinc/81/60/09/484816009.db2.gz	RTBFEANVDXCYFS-ZDUSSCGKSA-N	-2	0	366.392	-0.729	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)(CC(=O)[O-])C(=O)[O-]	ZINC000548591007	484815618	/nfs/dbraw/zinc/81/56/18/484815618.db2.gz	JDZRIKDMNBVHGT-HNNXBMFYSA-N	-2	0	370.383	-0.184	20	0		FBADRL
C[C@](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)(CC(=O)[O-])C(=O)[O-]	ZINC000548591008	484816800	/nfs/dbraw/zinc/81/68/00/484816800.db2.gz	JDZRIKDMNBVHGT-OAHLLOKOSA-N	-2	0	370.383	-0.184	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])ccc21	ZINC000548593617	484817116	/nfs/dbraw/zinc/81/71/16/484817116.db2.gz	AXXBGXQBHLMFAA-AWEZNQCLSA-N	-2	0	372.355	-0.025	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])ccc21	ZINC000548593619	484817551	/nfs/dbraw/zinc/81/75/51/484817551.db2.gz	AXXBGXQBHLMFAA-CQSZACIVSA-N	-2	0	372.355	-0.025	20	0		FBADRL
C[C@@](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)(CC(=O)[O-])C(=O)[O-]	ZINC000548594212	484817664	/nfs/dbraw/zinc/81/76/64/484817664.db2.gz	MBRSZBTVLPOPMS-AWEZNQCLSA-N	-2	0	372.355	-0.139	20	0		FBADRL
C[C@](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)(CC(=O)[O-])C(=O)[O-]	ZINC000548594218	484817122	/nfs/dbraw/zinc/81/71/22/484817122.db2.gz	MBRSZBTVLPOPMS-CQSZACIVSA-N	-2	0	372.355	-0.139	20	0		FBADRL
CCOC(=O)Cc1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000551910755	484962814	/nfs/dbraw/zinc/96/28/14/484962814.db2.gz	RDICFYZYFVYFBT-UHFFFAOYSA-N	-2	0	359.356	-0.048	20	0		FBADRL
CCOC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000551995887	484968384	/nfs/dbraw/zinc/96/83/84/484968384.db2.gz	XPYLTSIMVHGBQM-NSHDSACASA-N	-2	0	359.356	-0.002	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000554531795	485095349	/nfs/dbraw/zinc/09/53/49/485095349.db2.gz	LKPPXVMGWICBGC-CYBMUJFWSA-N	-2	0	351.377	-0.233	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000554531796	485095995	/nfs/dbraw/zinc/09/59/95/485095995.db2.gz	LKPPXVMGWICBGC-ZDUSSCGKSA-N	-2	0	351.377	-0.233	20	0		FBADRL
CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000554531892	485096036	/nfs/dbraw/zinc/09/60/36/485096036.db2.gz	XHVAMMKBWQUSQH-LLVKDONJSA-N	-2	0	358.372	-0.015	20	0		FBADRL
CCNC(=O)N1CCC(N(CC(=O)[O-])C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000554920669	485108310	/nfs/dbraw/zinc/10/83/10/485108310.db2.gz	ULZNYSNZLPKODZ-NWDGAFQWSA-N	-2	0	371.390	-0.274	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000555456041	485116991	/nfs/dbraw/zinc/11/69/91/485116991.db2.gz	MKMRQTJMYSANQC-MRVPVSSYSA-N	-2	0	365.385	-0.456	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000555456043	485117039	/nfs/dbraw/zinc/11/70/39/485117039.db2.gz	MKMRQTJMYSANQC-QMMMGPOBSA-N	-2	0	365.385	-0.456	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1OC	ZINC000555460654	485116823	/nfs/dbraw/zinc/11/68/23/485116823.db2.gz	AGRVWPSBMRNKNI-VIFPVBQESA-N	-2	0	361.328	-0.312	20	0		FBADRL
O=C([O-])C1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1	ZINC000556775188	483657776	/nfs/dbraw/zinc/65/77/76/483657776.db2.gz	LLNXOHVAYUARTL-UHFFFAOYSA-N	-2	0	354.344	-0.031	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000557586873	483685155	/nfs/dbraw/zinc/68/51/55/483685155.db2.gz	ZBZGPZUQIMVUJX-UHFFFAOYSA-N	-2	0	355.332	-0.963	20	0		FBADRL
O=c1nc(CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[n-]o1	ZINC000558489399	483721944	/nfs/dbraw/zinc/72/19/44/483721944.db2.gz	GYOQNFSKBORRLD-UHFFFAOYSA-N	-2	0	371.766	-0.283	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-]	ZINC000559766215	483854119	/nfs/dbraw/zinc/85/41/19/483854119.db2.gz	ABINMLZZCOPDJE-NSHDSACASA-N	-2	0	356.356	-0.215	20	0		FBADRL
COC(=O)c1nscc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000564402050	483759824	/nfs/dbraw/zinc/75/98/24/483759824.db2.gz	VFACSUMZQVMWFK-ZCFIWIBFSA-N	-2	0	366.373	-0.084	20	0		FBADRL
COC(=O)Cn1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1	ZINC000564770612	485156282	/nfs/dbraw/zinc/15/62/82/485156282.db2.gz	DKSJTOCENHTIMR-SECBINFHSA-N	-2	0	363.348	-0.958	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000565339402	485177955	/nfs/dbraw/zinc/17/79/55/485177955.db2.gz	DPXJOZRPJWDYFS-AWEZNQCLSA-N	-2	0	358.372	-0.110	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000565339403	485179249	/nfs/dbraw/zinc/17/92/49/485179249.db2.gz	DPXJOZRPJWDYFS-CQSZACIVSA-N	-2	0	358.372	-0.110	20	0		FBADRL
CCOC(=O)Cc1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000566025215	485201746	/nfs/dbraw/zinc/20/17/46/485201746.db2.gz	XPYLTSIMVHGBQM-LLVKDONJSA-N	-2	0	359.356	-0.002	20	0		FBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000566312169	485212243	/nfs/dbraw/zinc/21/22/43/485212243.db2.gz	LKHRCFKEYVXTSU-JTQLQIEISA-N	-2	0	358.372	-0.158	20	0		FBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000566312172	485211989	/nfs/dbraw/zinc/21/19/89/485211989.db2.gz	LKHRCFKEYVXTSU-SNVBAGLBSA-N	-2	0	358.372	-0.158	20	0		FBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000566740078	485229322	/nfs/dbraw/zinc/22/93/22/485229322.db2.gz	FRTXDRMVTIVQSM-NSHDSACASA-N	-2	0	358.372	-0.015	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)[O-]	ZINC000567393268	485251890	/nfs/dbraw/zinc/25/18/90/485251890.db2.gz	ABINMLZZCOPDJE-LLVKDONJSA-N	-2	0	356.356	-0.215	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1F	ZINC000567578902	485259624	/nfs/dbraw/zinc/25/96/24/485259624.db2.gz	FQMLFBAAOYXDJG-UHFFFAOYSA-N	-2	0	363.319	-0.299	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])s1	ZINC000568003204	485275163	/nfs/dbraw/zinc/27/51/63/485275163.db2.gz	ZPFKJSCWBYFLDI-LLVKDONJSA-N	-2	0	365.389	-0.055	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])s1	ZINC000568003205	485274991	/nfs/dbraw/zinc/27/49/91/485274991.db2.gz	ZPFKJSCWBYFLDI-NSHDSACASA-N	-2	0	365.389	-0.055	20	0		FBADRL
CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000569034774	485316348	/nfs/dbraw/zinc/31/63/48/485316348.db2.gz	XHVAMMKBWQUSQH-NSHDSACASA-N	-2	0	358.372	-0.015	20	0		FBADRL
Cc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000569661110	484076592	/nfs/dbraw/zinc/07/65/92/484076592.db2.gz	HOECJUGOXSMHLS-AWEZNQCLSA-N	-2	0	358.372	-0.062	20	0		FBADRL
Cc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000569661113	484075622	/nfs/dbraw/zinc/07/56/22/484075622.db2.gz	HOECJUGOXSMHLS-CQSZACIVSA-N	-2	0	358.372	-0.062	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1C	ZINC000570148020	484166897	/nfs/dbraw/zinc/16/68/97/484166897.db2.gz	OGFLYHDSIPIEPM-SECBINFHSA-N	-2	0	362.360	-0.202	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000571214669	484202682	/nfs/dbraw/zinc/20/26/82/484202682.db2.gz	RIUOFTXCLAPWLW-LURJTMIESA-N	-2	0	351.362	-0.302	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000571332614	484232465	/nfs/dbraw/zinc/23/24/65/484232465.db2.gz	VSJYNUDVNKOYJU-LURJTMIESA-N	-2	0	351.362	-0.445	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000571332615	484232399	/nfs/dbraw/zinc/23/23/99/484232399.db2.gz	VSJYNUDVNKOYJU-ZCFIWIBFSA-N	-2	0	351.362	-0.445	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])CCC1	ZINC000571373082	484246217	/nfs/dbraw/zinc/24/62/17/484246217.db2.gz	YUGQMJMXNCNVDA-GFCCVEGCSA-N	-2	0	351.377	-0.185	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])CCC1	ZINC000571373083	484245768	/nfs/dbraw/zinc/24/57/68/484245768.db2.gz	YUGQMJMXNCNVDA-LBPRGKRZSA-N	-2	0	351.377	-0.185	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000572195644	484924311	/nfs/dbraw/zinc/92/43/11/484924311.db2.gz	LNWWUEKMXANRMA-ZCFIWIBFSA-N	-3	0	366.373	-0.084	20	0		FBADRL
CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000572206994	484924075	/nfs/dbraw/zinc/92/40/75/484924075.db2.gz	MZSHNEUPPCTQSK-FRRDWIJNSA-N	-2	0	356.375	-0.067	20	0		FBADRL
CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000572206995	484924627	/nfs/dbraw/zinc/92/46/27/484924627.db2.gz	MZSHNEUPPCTQSK-RWMBFGLXSA-N	-2	0	356.375	-0.067	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)CCC1	ZINC000573031939	485336042	/nfs/dbraw/zinc/33/60/42/485336042.db2.gz	UMTVWMVMJMJUJC-AWEZNQCLSA-N	-2	0	363.388	-0.089	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)CCC1	ZINC000573031940	485336459	/nfs/dbraw/zinc/33/64/59/485336459.db2.gz	UMTVWMVMJMJUJC-CQSZACIVSA-N	-2	0	363.388	-0.089	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CCC1	ZINC000573620722	483930615	/nfs/dbraw/zinc/93/06/15/483930615.db2.gz	PBDGCSDEOLHNJS-NXEZZACHSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CCC1	ZINC000573620725	483931487	/nfs/dbraw/zinc/93/14/87/483931487.db2.gz	PBDGCSDEOLHNJS-UWVGGRQHSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CCC1	ZINC000573620727	483931755	/nfs/dbraw/zinc/93/17/55/483931755.db2.gz	PBDGCSDEOLHNJS-VHSXEESVSA-N	-2	0	363.388	-0.233	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CCC1	ZINC000573620729	483931351	/nfs/dbraw/zinc/93/13/51/483931351.db2.gz	PBDGCSDEOLHNJS-ZJUUUORDSA-N	-2	0	363.388	-0.233	20	0		FBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000573896457	483945814	/nfs/dbraw/zinc/94/58/14/483945814.db2.gz	DOGIEJSHYNQGLP-SSDOTTSWSA-N	-2	0	358.328	-0.529	20	0		FBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000573896458	483945227	/nfs/dbraw/zinc/94/52/27/483945227.db2.gz	DOGIEJSHYNQGLP-ZETCQYMHSA-N	-2	0	358.328	-0.529	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])CCC1	ZINC000576161051	484046485	/nfs/dbraw/zinc/04/64/85/484046485.db2.gz	GNQSPBYMMCZOQX-SECBINFHSA-N	-2	0	351.377	-0.043	20	0		FBADRL
O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCS1(=O)=O	ZINC000576347067	484056653	/nfs/dbraw/zinc/05/66/53/484056653.db2.gz	WPHRWOMBOUAFEH-JTQLQIEISA-N	-2	0	367.339	-0.646	20	0		FBADRL
O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCS1(=O)=O	ZINC000576347068	484057081	/nfs/dbraw/zinc/05/70/81/484057081.db2.gz	WPHRWOMBOUAFEH-SNVBAGLBSA-N	-2	0	367.339	-0.646	20	0		FBADRL
O=C([O-])C(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1	ZINC000577066787	484097041	/nfs/dbraw/zinc/09/70/41/484097041.db2.gz	NPJUUERUSVLBSJ-UHFFFAOYSA-N	-2	0	352.372	-0.763	20	0		FBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-]	ZINC000577702919	484129066	/nfs/dbraw/zinc/12/90/66/484129066.db2.gz	WSJGWQHRJDDULZ-SNVBAGLBSA-N	-2	0	363.319	-0.093	20	0		FBADRL
CCN(C)C(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000578567315	661736201	/nfs/dbraw/zinc/73/62/01/661736201.db2.gz	SDOOZAQDUUWRML-UHFFFAOYSA-N	-2	0	358.372	-0.062	20	0		FBADRL
O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)C2	ZINC000578705428	484224445	/nfs/dbraw/zinc/22/44/45/484224445.db2.gz	ZAMOCKSKLKFQGF-CAAJLBCPSA-N	-2	0	352.328	-0.469	20	0		FBADRL
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)C2	ZINC000578705430	484225297	/nfs/dbraw/zinc/22/52/97/484225297.db2.gz	ZAMOCKSKLKFQGF-IYQDAUBNSA-N	-2	0	352.328	-0.469	20	0		FBADRL
CCCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)s1	ZINC000578926859	484326791	/nfs/dbraw/zinc/32/67/91/484326791.db2.gz	KXMKHTJUOOROON-UHFFFAOYSA-N	-2	0	373.416	0.100	20	0		FBADRL
Cc1nc(=NC(=O)c2ccc(C(=O)N=c3nc(C)n(C)[n-]3)s2)[n-]n1C	ZINC000579605493	484267548	/nfs/dbraw/zinc/26/75/48/484267548.db2.gz	YUUOFCCEBILUCP-UHFFFAOYSA-N	-2	0	360.403	-0.030	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000580081383	484296809	/nfs/dbraw/zinc/29/68/09/484296809.db2.gz	MBHPUKJRSGIJRD-UHFFFAOYSA-N	-2	0	356.356	-0.261	20	0		FBADRL
Cc1nc(=NC(=O)c2ccc(C(=O)N=c3nc(C)n(C)[n-]3)cc2)[n-]n1C	ZINC000580475278	485016588	/nfs/dbraw/zinc/01/65/88/485016588.db2.gz	LVZRKRPQFRMIRE-UHFFFAOYSA-N	-2	0	354.374	-0.091	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1	ZINC000580989228	484303617	/nfs/dbraw/zinc/30/36/17/484303617.db2.gz	DALZURRCKINDHJ-SECBINFHSA-N	-2	0	360.344	-0.145	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CCCC1	ZINC000582213731	484198488	/nfs/dbraw/zinc/19/84/88/484198488.db2.gz	ZDKLEHSUGGZRRQ-VIFPVBQESA-N	-2	0	351.377	-0.043	20	0		FBADRL
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000582399235	484203356	/nfs/dbraw/zinc/20/33/56/484203356.db2.gz	WQAKGOIGRSZLLJ-UHFFFAOYSA-N	-2	0	374.400	-0.173	20	0		FBADRL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000582641178	484477673	/nfs/dbraw/zinc/47/76/73/484477673.db2.gz	UKSKSYYADRRBAB-BQBZGAKWSA-N	-2	0	352.390	-0.178	20	0		FBADRL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000582641179	484477716	/nfs/dbraw/zinc/47/77/16/484477716.db2.gz	UKSKSYYADRRBAB-NKWVEPMBSA-N	-2	0	352.390	-0.178	20	0		FBADRL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000582641180	484477758	/nfs/dbraw/zinc/47/77/58/484477758.db2.gz	UKSKSYYADRRBAB-RNFRBKRXSA-N	-2	0	352.390	-0.178	20	0		FBADRL
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000582641181	484478116	/nfs/dbraw/zinc/47/81/16/484478116.db2.gz	UKSKSYYADRRBAB-RQJHMYQMSA-N	-2	0	352.390	-0.178	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@@H]1C(=O)[O-]	ZINC000583239253	484533564	/nfs/dbraw/zinc/53/35/64/484533564.db2.gz	FSDNPVSDNOYHNN-BDAKNGLRSA-N	-2	0	367.330	-0.056	20	0		FBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1C(=O)[O-]	ZINC000583239254	484533215	/nfs/dbraw/zinc/53/32/15/484533215.db2.gz	FSDNPVSDNOYHNN-DTWKUNHWSA-N	-2	0	367.330	-0.056	20	0		FBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)CC[C@@H]1C(=O)[O-]	ZINC000583239255	484532927	/nfs/dbraw/zinc/53/29/27/484532927.db2.gz	FSDNPVSDNOYHNN-IUCAKERBSA-N	-2	0	367.330	-0.056	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1C(=O)[O-]	ZINC000583239256	484532860	/nfs/dbraw/zinc/53/28/60/484532860.db2.gz	FSDNPVSDNOYHNN-RKDXNWHRSA-N	-2	0	367.330	-0.056	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000583313822	484543065	/nfs/dbraw/zinc/54/30/65/484543065.db2.gz	LKHCIMZZRONTSJ-BDAKNGLRSA-N	-2	0	351.377	-0.377	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000583313823	484543154	/nfs/dbraw/zinc/54/31/54/484543154.db2.gz	LKHCIMZZRONTSJ-DTWKUNHWSA-N	-2	0	351.377	-0.377	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000583313824	484543817	/nfs/dbraw/zinc/54/38/17/484543817.db2.gz	LKHCIMZZRONTSJ-IUCAKERBSA-N	-2	0	351.377	-0.377	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000583313825	484543725	/nfs/dbraw/zinc/54/37/25/484543725.db2.gz	LKHCIMZZRONTSJ-RKDXNWHRSA-N	-2	0	351.377	-0.377	20	0		FBADRL
O=C([O-])C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000583908668	483393335	/nfs/dbraw/zinc/39/33/35/483393335.db2.gz	SYTZDBKSCOXHQR-SSDOTTSWSA-N	-2	0	354.344	-0.079	20	0		FBADRL
O=C([O-])C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000583908669	483393058	/nfs/dbraw/zinc/39/30/58/483393058.db2.gz	SYTZDBKSCOXHQR-ZETCQYMHSA-N	-2	0	354.344	-0.079	20	0		FBADRL
O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC1(c2nnn[n-]2)CC1	ZINC000583966151	483419644	/nfs/dbraw/zinc/41/96/44/483419644.db2.gz	OJLNOWDPQNNPQL-UHFFFAOYSA-N	-2	0	358.330	-0.438	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CCCCC1	ZINC000584446417	484551570	/nfs/dbraw/zinc/55/15/70/484551570.db2.gz	NFUGEJFOBPVXEO-SECBINFHSA-N	-2	0	351.377	-0.043	20	0		FBADRL
COC(=O)Cc1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000589542958	484382447	/nfs/dbraw/zinc/38/24/47/484382447.db2.gz	PLOZBMGSNGCWLV-LLVKDONJSA-N	-2	0	359.356	-0.002	20	0		FBADRL
COC(=O)C1(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CCCC1	ZINC000589542992	484382707	/nfs/dbraw/zinc/38/27/07/484382707.db2.gz	ZDKLEHSUGGZRRQ-SECBINFHSA-N	-2	0	351.377	-0.043	20	0		FBADRL
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000591450263	483616929	/nfs/dbraw/zinc/61/69/29/483616929.db2.gz	HLZUYXSPKFCPPO-UHFFFAOYSA-N	-2	0	365.375	-0.245	20	0		FBADRL
CSCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000594670989	483709197	/nfs/dbraw/zinc/70/91/97/483709197.db2.gz	QRKCUWPHFBDVSG-UHFFFAOYSA-N	-2	0	374.400	-0.126	20	0		FBADRL
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2nnn[n-]2)c1	ZINC000599377205	483808585	/nfs/dbraw/zinc/80/85/85/483808585.db2.gz	NUEGQYLGTCOAFB-UHFFFAOYSA-N	-2	0	353.364	-0.540	20	0		FBADRL
Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCc2nnn[n-]2)cn1	ZINC000600495368	483782383	/nfs/dbraw/zinc/78/23/83/483782383.db2.gz	LWBUURAQSSAATP-UHFFFAOYSA-N	-2	0	368.404	-0.275	20	0		FBADRL
COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000600651755	483823003	/nfs/dbraw/zinc/82/30/03/483823003.db2.gz	IUVMPAHLPOJSCS-SSDOTTSWSA-N	-2	0	367.282	-0.042	20	0		FBADRL
COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000600651765	483822931	/nfs/dbraw/zinc/82/29/31/483822931.db2.gz	IUVMPAHLPOJSCS-ZETCQYMHSA-N	-2	0	367.282	-0.042	20	0		FBADRL
COC(=O)c1cc(F)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1F	ZINC000600655583	483822519	/nfs/dbraw/zinc/82/25/19/483822519.db2.gz	RNUPNKISBOWXJD-UHFFFAOYSA-N	-2	0	367.282	-0.089	20	0		FBADRL
C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)[C@@H](C)CN1C(=O)c1cc(=O)n(C)[n-]1	ZINC000612788644	485241357	/nfs/dbraw/zinc/24/13/57/485241357.db2.gz	GRRQQFXXNZORGG-AOOOYVTPSA-N	-2	0	362.390	-0.060	20	0		FBADRL
C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H](C)N1C(=O)c1cc(=O)n(C)[n-]1	ZINC000613623338	484410862	/nfs/dbraw/zinc/41/08/62/484410862.db2.gz	YFIPQUYXXDDYNP-AOOOYVTPSA-N	-2	0	362.390	-0.060	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000614327597	484458499	/nfs/dbraw/zinc/45/84/99/484458499.db2.gz	HBIHCRKMYYTZNX-LLVKDONJSA-N	-2	0	359.356	-0.002	20	0		FBADRL
CCOC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cn1C	ZINC000614327610	484458162	/nfs/dbraw/zinc/45/81/62/484458162.db2.gz	IBMNGKRATOQGQH-SECBINFHSA-N	-2	0	362.360	-0.202	20	0		FBADRL
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000614327636	484459051	/nfs/dbraw/zinc/45/90/51/484459051.db2.gz	OTURTERFIYEZSX-AEJSXWLSSA-N	-2	0	351.377	-0.044	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000614327637	484458672	/nfs/dbraw/zinc/45/86/72/484458672.db2.gz	OTURTERFIYEZSX-BBBLOLIVSA-N	-2	0	351.377	-0.044	20	0		FBADRL
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000614327638	484458636	/nfs/dbraw/zinc/45/86/36/484458636.db2.gz	OTURTERFIYEZSX-IVZWLZJFSA-N	-2	0	351.377	-0.044	20	0		FBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000614327639	484458362	/nfs/dbraw/zinc/45/83/62/484458362.db2.gz	OTURTERFIYEZSX-OPRDCNLKSA-N	-2	0	351.377	-0.044	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000614739536	484543156	/nfs/dbraw/zinc/54/31/56/484543156.db2.gz	YALKQPIUMSYSAS-LBPRGKRZSA-N	-2	0	358.372	-0.429	20	0		FBADRL
Cn1[n-]c(C(=O)NCCC(C)(C)NC(=O)c2cc(=O)n(C)[n-]2)cc1=O	ZINC000615416741	484269754	/nfs/dbraw/zinc/26/97/54/484269754.db2.gz	AJTNVJHCRIRRBP-UHFFFAOYSA-N	-2	0	350.379	-0.107	20	0		FBADRL
Cc1n[nH]c(C(=O)NCCOCCN(C)C(=O)c2n[nH]c(C)c2[O-])c1[O-]	ZINC000619324103	484516465	/nfs/dbraw/zinc/51/64/65/484516465.db2.gz	GHECCJWOVVMCHV-UHFFFAOYSA-N	-2	0	366.378	-0.321	20	0		FBADRL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1	ZINC000619956448	484591158	/nfs/dbraw/zinc/59/11/58/484591158.db2.gz	VUGYRVABIOMOQQ-UHFFFAOYSA-N	-2	0	368.371	-0.509	20	0		FBADRL
C[C@@H]1[C@H](C)N(C(=O)c2cc(=O)n(C)[n-]2)CCN1C(=O)c1cc(=O)n(C)[n-]1	ZINC000620747373	484611352	/nfs/dbraw/zinc/61/13/52/484611352.db2.gz	QFXROWFGOJALOQ-AOOOYVTPSA-N	-2	0	362.390	-0.060	20	0		FBADRL
C[C@@H]1[C@@H](C)N(C(=O)c2cc(=O)n(C)[n-]2)CCN1C(=O)c1cc(=O)n(C)[n-]1	ZINC000620747374	484611054	/nfs/dbraw/zinc/61/10/54/484611054.db2.gz	QFXROWFGOJALOQ-NXEZZACHSA-N	-2	0	362.390	-0.060	20	0		FBADRL
C[C@H]1[C@H](C)N(C(=O)c2cc(=O)n(C)[n-]2)CCN1C(=O)c1cc(=O)n(C)[n-]1	ZINC000620747375	484611037	/nfs/dbraw/zinc/61/10/37/484611037.db2.gz	QFXROWFGOJALOQ-UWVGGRQHSA-N	-2	0	362.390	-0.060	20	0		FBADRL
CC1[C@H](C(=O)N(C)Cc2n[n-]c(=O)o2)[C@H]1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000622115477	484771483	/nfs/dbraw/zinc/77/14/83/484771483.db2.gz	ZGUYUJDNQGTCEF-UWVGGRQHSA-N	-2	0	366.334	-0.637	20	0		FBADRL
CN(Cc1n[n-]c(=O)o1)C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000622118331	484772656	/nfs/dbraw/zinc/77/26/56/484772656.db2.gz	RTSOCGPVBGGCKJ-UHFFFAOYSA-N	-2	0	362.314	-0.010	20	0		FBADRL
CCOC1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CCOCC1	ZINC000629291384	484128928	/nfs/dbraw/zinc/12/89/28/484128928.db2.gz	DQCQBJYOWFCFPC-JTQLQIEISA-N	-2	0	353.393	-0.191	20	0		FBADRL
CCOC1(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CCOCC1	ZINC000629291385	484128620	/nfs/dbraw/zinc/12/86/20/484128620.db2.gz	DQCQBJYOWFCFPC-SNVBAGLBSA-N	-2	0	353.393	-0.191	20	0		FBADRL
CCOC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CCOCC1	ZINC000629296493	484130159	/nfs/dbraw/zinc/13/01/59/484130159.db2.gz	GLDRMWLWLXIAJZ-JTQLQIEISA-N	-2	0	353.393	-0.333	20	0		FBADRL
CCOC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CCOCC1	ZINC000629296497	484130606	/nfs/dbraw/zinc/13/06/06/484130606.db2.gz	GLDRMWLWLXIAJZ-SNVBAGLBSA-N	-2	0	353.393	-0.333	20	0		FBADRL
Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000629296999	484130146	/nfs/dbraw/zinc/13/01/46/484130146.db2.gz	MMJUEYMRWCNFJN-RXMQYKEDSA-N	-2	0	359.282	-0.107	20	0		FBADRL
Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000629297002	484131354	/nfs/dbraw/zinc/13/13/54/484131354.db2.gz	MMJUEYMRWCNFJN-YFKPBYRVSA-N	-2	0	359.282	-0.107	20	0		FBADRL
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCOCC(=O)[O-])c1	ZINC000630262660	484618280	/nfs/dbraw/zinc/61/82/80/484618280.db2.gz	OAKQARAYLQQMSM-UHFFFAOYSA-N	-2	0	373.387	-0.153	20	0		FBADRL
CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2COCCOC2)c(F)c1	ZINC000644288249	484431977	/nfs/dbraw/zinc/43/19/77/484431977.db2.gz	SRFKUFNXUQQYSI-UHFFFAOYSA-N	-2	0	368.408	-0.109	20	0		FBADRL
Cn1nccc1[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-]	ZINC000647490371	484173801	/nfs/dbraw/zinc/17/38/01/484173801.db2.gz	RUHQGFPCEMXNQZ-MRVPVSSYSA-N	-2	0	366.403	-0.128	20	0		FBADRL
Cn1nccc1[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-]	ZINC000647490372	484173214	/nfs/dbraw/zinc/17/32/14/484173214.db2.gz	RUHQGFPCEMXNQZ-QMMMGPOBSA-N	-2	0	366.403	-0.128	20	0		FBADRL
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000647642794	484344425	/nfs/dbraw/zinc/34/44/25/484344425.db2.gz	KWKODZPSZOWQKA-RQJHMYQMSA-N	-2	0	354.344	-0.032	20	0		FBADRL
COCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000647727024	483827660	/nfs/dbraw/zinc/82/76/60/483827660.db2.gz	BTGPCVXXYGIOQM-UHFFFAOYSA-N	-2	0	366.342	-0.197	20	0		FBADRL
O=C([O-])[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCO1	ZINC000647727994	483839295	/nfs/dbraw/zinc/83/92/95/483839295.db2.gz	QDKNWUOEINFFTN-JTQLQIEISA-N	-2	0	364.326	-0.445	20	0		FBADRL
O=C([O-])[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCO1	ZINC000647727995	483839569	/nfs/dbraw/zinc/83/95/69/483839569.db2.gz	QDKNWUOEINFFTN-SNVBAGLBSA-N	-2	0	364.326	-0.445	20	0		FBADRL
O=C([O-])[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000647733679	483853673	/nfs/dbraw/zinc/85/36/73/483853673.db2.gz	VXADKRSYROBNGZ-JTQLQIEISA-N	-2	0	364.326	-0.445	20	0		FBADRL
O=C([O-])[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000647733680	483853736	/nfs/dbraw/zinc/85/37/36/483853736.db2.gz	VXADKRSYROBNGZ-SNVBAGLBSA-N	-2	0	364.326	-0.445	20	0		FBADRL
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)o1	ZINC000647782576	484120087	/nfs/dbraw/zinc/12/00/87/484120087.db2.gz	SDMLCHQDPSAKPF-UHFFFAOYSA-N	-2	0	371.375	0.285	20	0		FBADRL
O=S(=O)(NC1CCC(NS(=O)(=O)c2ncc[n-]2)CC1)c1ncc[n-]1	ZINC000647890201	484387793	/nfs/dbraw/zinc/38/77/93/484387793.db2.gz	AFUFCURUGLBJLP-UHFFFAOYSA-N	-2	0	374.448	-0.299	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)CCN1S(=O)(=O)c1ncc[n-]1	ZINC000647893763	484408557	/nfs/dbraw/zinc/40/85/57/484408557.db2.gz	DKUDQZJBVIDGCS-SECBINFHSA-N	-2	0	360.421	-0.784	20	0		FBADRL
C[C@H]1CN(S(=O)(=O)c2ncc[n-]2)CCN1S(=O)(=O)c1ncc[n-]1	ZINC000647893764	484408848	/nfs/dbraw/zinc/40/88/48/484408848.db2.gz	DKUDQZJBVIDGCS-VIFPVBQESA-N	-2	0	360.421	-0.784	20	0		FBADRL
O=S(=O)(c1ncc[n-]1)N1CCCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC000647893837	484410364	/nfs/dbraw/zinc/41/03/64/484410364.db2.gz	HKSKZTRJETYUHY-UHFFFAOYSA-N	-2	0	360.421	-0.782	20	0		FBADRL
O=C([O-])CN(CC1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000650234352	483515829	/nfs/dbraw/zinc/51/58/29/483515829.db2.gz	AITMUGPYIXPJDF-UHFFFAOYSA-N	-2	0	354.344	-0.079	20	0		FBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000650392786	483725563	/nfs/dbraw/zinc/72/55/63/483725563.db2.gz	FRTXDRMVTIVQSM-LLVKDONJSA-N	-2	0	358.372	-0.015	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000650392928	483725444	/nfs/dbraw/zinc/72/54/44/483725444.db2.gz	RIUOFTXCLAPWLW-ZCFIWIBFSA-N	-2	0	351.362	-0.302	20	0		FBADRL
Cc1c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])coc1C(=O)N(C)C	ZINC000650413198	661972937	/nfs/dbraw/zinc/97/29/37/661972937.db2.gz	UDRQFMBEODSKAO-MRVPVSSYSA-N	-2	0	362.360	-0.256	20	0		FBADRL
Cc1c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])coc1C(=O)N(C)C	ZINC000650413199	661972891	/nfs/dbraw/zinc/97/28/91/661972891.db2.gz	UDRQFMBEODSKAO-QMMMGPOBSA-N	-2	0	362.360	-0.256	20	0		FBADRL
Cn1nncc1S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000650418934	483727094	/nfs/dbraw/zinc/72/70/94/483727094.db2.gz	XDJCCCBUIYZKJE-LLVKDONJSA-N	-2	0	368.371	-0.584	20	0		FBADRL
Cn1nncc1S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000650418935	483727075	/nfs/dbraw/zinc/72/70/75/483727075.db2.gz	XDJCCCBUIYZKJE-NSHDSACASA-N	-2	0	368.371	-0.584	20	0		FBADRL
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000650427838	661975190	/nfs/dbraw/zinc/97/51/90/661975190.db2.gz	SQWWQCURMUAWEJ-LURJTMIESA-N	-2	0	354.344	-0.032	20	0		FBADRL
C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000650427839	661975165	/nfs/dbraw/zinc/97/51/65/661975165.db2.gz	SQWWQCURMUAWEJ-ZCFIWIBFSA-N	-2	0	354.344	-0.032	20	0		FBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000656510880	484669163	/nfs/dbraw/zinc/66/91/63/484669163.db2.gz	LKRSZYHILHJHJN-AWEZNQCLSA-N	-2	0	358.372	-0.062	20	0		FBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000656510884	484668568	/nfs/dbraw/zinc/66/85/68/484668568.db2.gz	LKRSZYHILHJHJN-CQSZACIVSA-N	-2	0	358.372	-0.062	20	0		FBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000656514855	484670188	/nfs/dbraw/zinc/67/01/88/484670188.db2.gz	YGZGDNLAVPKQBW-NEPJUHHUSA-N	-2	0	370.383	-0.110	20	0		FBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000656514856	484670420	/nfs/dbraw/zinc/67/04/20/484670420.db2.gz	YGZGDNLAVPKQBW-NWDGAFQWSA-N	-2	0	370.383	-0.110	20	0		FBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000656514857	484670471	/nfs/dbraw/zinc/67/04/71/484670471.db2.gz	YGZGDNLAVPKQBW-RYUDHWBXSA-N	-2	0	370.383	-0.110	20	0		FBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000656514858	484670632	/nfs/dbraw/zinc/67/06/32/484670632.db2.gz	YGZGDNLAVPKQBW-VXGBXAGGSA-N	-2	0	370.383	-0.110	20	0		FBADRL
CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(c2ccnc(C(=O)[O-])c2)CCO1	ZINC000662891887	483918928	/nfs/dbraw/zinc/91/89/28/483918928.db2.gz	UFOWDPGIKWUHQO-LLVKDONJSA-N	-2	0	373.387	-0.669	20	0		FBADRL
CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(c2ccnc(C(=O)[O-])c2)CCO1	ZINC000662891888	483918278	/nfs/dbraw/zinc/91/82/78/483918278.db2.gz	UFOWDPGIKWUHQO-NSHDSACASA-N	-2	0	373.387	-0.669	20	0		FBADRL
O=C([O-])COc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC000663053533	483947329	/nfs/dbraw/zinc/94/73/29/483947329.db2.gz	CVJKITMTZVMJBZ-LLVKDONJSA-N	-2	0	357.340	-0.526	20	0		FBADRL
O=C([O-])COc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC000663053534	483947495	/nfs/dbraw/zinc/94/74/95/483947495.db2.gz	CVJKITMTZVMJBZ-NSHDSACASA-N	-2	0	357.340	-0.526	20	0		FBADRL
O=C([O-])COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC000663054097	483948044	/nfs/dbraw/zinc/94/80/44/483948044.db2.gz	IKXVKROJEIIKEN-LLVKDONJSA-N	-2	0	357.340	-0.526	20	0		FBADRL
O=C([O-])COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC000663054099	483947193	/nfs/dbraw/zinc/94/71/93/483947193.db2.gz	IKXVKROJEIIKEN-NSHDSACASA-N	-2	0	357.340	-0.526	20	0		FBADRL
Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000663129632	483952477	/nfs/dbraw/zinc/95/24/77/483952477.db2.gz	OIYDVMIWSSAUJQ-VPTHRUTESA-N	-2	0	360.326	-0.082	20	0		FBADRL
O=C([O-])[C@@]1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCOC1	ZINC000663131725	483952646	/nfs/dbraw/zinc/95/26/46/483952646.db2.gz	HIZRYPRFPXRGNK-CYBMUJFWSA-N	-2	0	364.326	-0.397	20	0		FBADRL
O=C([O-])[C@]1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCOC1	ZINC000663131733	483951865	/nfs/dbraw/zinc/95/18/65/483951865.db2.gz	HIZRYPRFPXRGNK-ZDUSSCGKSA-N	-2	0	364.326	-0.397	20	0		FBADRL
CC(=O)N1Cc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc2C1	ZINC000663287370	483957183	/nfs/dbraw/zinc/95/71/83/483957183.db2.gz	ZEYSTJKKOXYBGH-UHFFFAOYSA-N	-2	0	356.356	-0.291	20	0		FBADRL
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)C2	ZINC000663292028	483957460	/nfs/dbraw/zinc/95/74/60/483957460.db2.gz	MHJYCFCWSIDODB-DHDZUQTRSA-N	-2	0	366.355	-0.080	20	0		FBADRL
CCC[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000667810348	484595476	/nfs/dbraw/zinc/59/54/76/484595476.db2.gz	JDBKIRWRJICALN-SECBINFHSA-N	-2	0	350.379	-0.107	20	0		FBADRL
CCC[C@@H](CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000667810349	484595796	/nfs/dbraw/zinc/59/57/96/484595796.db2.gz	JDBKIRWRJICALN-VIFPVBQESA-N	-2	0	350.379	-0.107	20	0		FBADRL
Cn1[n-]c(C(=O)NCC(C)(C)CNC(=O)c2cc(=O)n(C)[n-]2)cc1=O	ZINC000668536417	483798818	/nfs/dbraw/zinc/79/88/18/483798818.db2.gz	SPICAHATBUONDY-UHFFFAOYSA-N	-2	0	350.379	-0.249	20	0		FBADRL
CC(C)[C@@H](CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000668605345	483851192	/nfs/dbraw/zinc/85/11/92/483851192.db2.gz	LIPKJFXZZLPGBU-LLVKDONJSA-N	-2	0	350.379	-0.251	20	0		FBADRL
CC(C)[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000668605346	483851050	/nfs/dbraw/zinc/85/10/50/483851050.db2.gz	LIPKJFXZZLPGBU-NSHDSACASA-N	-2	0	350.379	-0.251	20	0		FBADRL
O=C([N-]c1nn[nH]n1)c1sccc1S(=O)(=O)N1CCC(CO)CC1	ZINC000668866906	484438195	/nfs/dbraw/zinc/43/81/95/484438195.db2.gz	ILFIQDNWFKSYGT-UHFFFAOYSA-N	-2	0	372.432	-0.094	20	0		FBADRL
NS(=O)(=O)c1ccc([O-])c(C(=O)NC2(c3nnn[n-]3)CCCC2)c1	ZINC000668869758	484453233	/nfs/dbraw/zinc/45/32/33/484453233.db2.gz	VSPYKSTWIBIIPG-UHFFFAOYSA-N	-2	0	352.376	-0.248	20	0		FBADRL
Cn1[n-]c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O	ZINC000669199256	483883995	/nfs/dbraw/zinc/88/39/95/483883995.db2.gz	OVLRGCPWCACUHR-NXEZZACHSA-N	-2	0	362.390	-0.107	20	0		FBADRL
Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O	ZINC000669199259	483883910	/nfs/dbraw/zinc/88/39/10/483883910.db2.gz	OVLRGCPWCACUHR-UWVGGRQHSA-N	-2	0	362.390	-0.107	20	0		FBADRL
Cn1[n-]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O	ZINC000669199261	483883823	/nfs/dbraw/zinc/88/38/23/483883823.db2.gz	OVLRGCPWCACUHR-VHSXEESVSA-N	-2	0	362.390	-0.107	20	0		FBADRL
Cn1[n-]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2cc(=O)n(C)[n-]2)cc1=O	ZINC000669199262	483884036	/nfs/dbraw/zinc/88/40/36/483884036.db2.gz	OVLRGCPWCACUHR-ZJUUUORDSA-N	-2	0	362.390	-0.107	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1CC(=O)[O-]	ZINC000671661187	484177888	/nfs/dbraw/zinc/17/78/88/484177888.db2.gz	BKWGZFMLSXAGHG-UHFFFAOYSA-N	-2	0	354.344	-0.055	20	0		FBADRL
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000671661518	484180695	/nfs/dbraw/zinc/18/06/95/484180695.db2.gz	XJLMVBOQXZHLLP-UHFFFAOYSA-N	-2	0	358.307	-0.088	20	0		FBADRL
CNS(=O)(=O)c1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)ccc1[O-]	ZINC000673129700	484695806	/nfs/dbraw/zinc/69/58/06/484695806.db2.gz	KGGFDKITDYKYRP-UHFFFAOYSA-N	-2	0	359.389	-0.145	20	0		FBADRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O	ZINC000680837512	484914328	/nfs/dbraw/zinc/91/43/28/484914328.db2.gz	NITJDRUJWCFXOT-UHFFFAOYSA-N	-2	0	354.344	-0.055	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000681557006	484934682	/nfs/dbraw/zinc/93/46/82/484934682.db2.gz	YALKQPIUMSYSAS-GFCCVEGCSA-N	-2	0	358.372	-0.429	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000681562695	484935018	/nfs/dbraw/zinc/93/50/18/484935018.db2.gz	BJRKRUHRITXNJX-SNVBAGLBSA-N	-2	0	369.359	-0.527	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2C1=O	ZINC000681562771	484934943	/nfs/dbraw/zinc/93/49/43/484934943.db2.gz	DRMUYYQWMHZKFK-SNVBAGLBSA-N	-2	0	370.339	-0.491	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000681562798	484934870	/nfs/dbraw/zinc/93/48/70/484934870.db2.gz	GAHOXBMPGXGXOE-SNVBAGLBSA-N	-2	0	365.385	-0.314	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000681563025	484934767	/nfs/dbraw/zinc/93/47/67/484934767.db2.gz	JIKOBKXKRPMNRJ-LLVKDONJSA-N	-2	0	362.404	-0.375	20	0		FBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000681563097	484934937	/nfs/dbraw/zinc/93/49/37/484934937.db2.gz	MHJGTQYRXHIPGE-LLVKDONJSA-N	-2	0	358.372	-0.015	20	0		FBADRL
Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc12	ZINC000681563164	484934613	/nfs/dbraw/zinc/93/46/13/484934613.db2.gz	MQBAGALAAMVWPJ-SNVBAGLBSA-N	-2	0	356.360	-0.127	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC000681563179	484935009	/nfs/dbraw/zinc/93/50/09/484935009.db2.gz	MXUUXFQLTLCFAG-LLVKDONJSA-N	-2	0	368.371	-0.077	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000681563240	484935094	/nfs/dbraw/zinc/93/50/94/484935094.db2.gz	OWLNGASMSDEVEE-SNVBAGLBSA-N	-2	0	355.332	-0.741	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000681563359	484934651	/nfs/dbraw/zinc/93/46/51/484934651.db2.gz	SPSJESAJQCMWFJ-MRVPVSSYSA-N	-2	0	365.385	-0.314	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)[O-]	ZINC000681563407	484934809	/nfs/dbraw/zinc/93/48/09/484934809.db2.gz	UOIPBWVXKHQKNI-GFCCVEGCSA-N	-2	0	370.383	-0.252	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000681563423	484934903	/nfs/dbraw/zinc/93/49/03/484934903.db2.gz	RRFOAOVDWFRKTF-SNVBAGLBSA-N	-2	0	355.332	-0.741	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2n(C)c1=O	ZINC000681563535	484935083	/nfs/dbraw/zinc/93/50/83/484935083.db2.gz	ULRJGQJUQXSPAI-SECBINFHSA-N	-2	0	371.371	-0.527	20	0		FBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000681563666	484934758	/nfs/dbraw/zinc/93/47/58/484934758.db2.gz	WSAFGMYOKCAZMW-LLVKDONJSA-N	-2	0	356.356	-0.431	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000681579151	484934645	/nfs/dbraw/zinc/93/46/45/484934645.db2.gz	YZPTYOONPGQPEA-GFCCVEGCSA-N	-2	0	372.399	-0.181	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000681579156	484935022	/nfs/dbraw/zinc/93/50/22/484935022.db2.gz	YZPTYOONPGQPEA-LBPRGKRZSA-N	-2	0	372.399	-0.181	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000681581800	484934700	/nfs/dbraw/zinc/93/47/00/484934700.db2.gz	APCAHRROGZFAKA-UHFFFAOYSA-N	-2	0	358.372	-0.475	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cn1	ZINC000684559196	485009777	/nfs/dbraw/zinc/00/97/77/485009777.db2.gz	HIWNEFVCLIJLDJ-MRVPVSSYSA-N	-2	0	366.373	-0.919	20	0		FBADRL
O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])cc1	ZINC000684561491	485009609	/nfs/dbraw/zinc/00/96/09/485009609.db2.gz	DWRCNOLNKHAISQ-CYBMUJFWSA-N	-2	0	372.399	-0.524	20	0		FBADRL
O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)[O-])cc1	ZINC000684561492	485009546	/nfs/dbraw/zinc/00/95/46/485009546.db2.gz	DWRCNOLNKHAISQ-ZDUSSCGKSA-N	-2	0	372.399	-0.524	20	0		FBADRL
COCCN(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000684562237	485009840	/nfs/dbraw/zinc/00/98/40/485009840.db2.gz	ULDFRNREBCBDBE-CYBMUJFWSA-N	-2	0	374.415	-0.278	20	0		FBADRL
COCCN(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000684562238	485009746	/nfs/dbraw/zinc/00/97/46/485009746.db2.gz	ULDFRNREBCBDBE-ZDUSSCGKSA-N	-2	0	374.415	-0.278	20	0		FBADRL
O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCc1nc(=O)o[n-]1	ZINC000685839164	485072690	/nfs/dbraw/zinc/07/26/90/485072690.db2.gz	HAKAXNLBGWJDJA-UHFFFAOYSA-N	-2	0	362.314	-0.722	20	0		FBADRL
CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000727720207	659042348	/nfs/dbraw/zinc/04/23/48/659042348.db2.gz	IQAPRYRGFAVPRE-UHFFFAOYSA-N	-2	0	360.344	-0.737	20	0		FBADRL
CC(C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000731032642	601136801	/nfs/dbraw/zinc/13/68/01/601136801.db2.gz	DLAJDMQTBXXIJE-LBPRGKRZSA-N	-2	0	358.372	-0.112	20	0		FBADRL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000731040236	660142503	/nfs/dbraw/zinc/14/25/03/660142503.db2.gz	MQZVGHFPBOABQU-NSHDSACASA-N	-2	0	356.356	-0.261	20	0		FBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC)C(=O)[O-]	ZINC000731048741	660142516	/nfs/dbraw/zinc/14/25/16/660142516.db2.gz	FBJDYWWOUIECMC-QMMMGPOBSA-N	-2	0	361.328	-0.312	20	0		FBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(=O)[O-]	ZINC000731051631	660142417	/nfs/dbraw/zinc/14/24/17/660142417.db2.gz	ZVIUMTMHCJQTPY-NSHDSACASA-N	-2	0	359.356	-0.002	20	0		FBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000732090971	660153872	/nfs/dbraw/zinc/15/38/72/660153872.db2.gz	WUOXIDCHVRSMKL-LLVKDONJSA-N	-2	0	370.366	-0.076	20	0		FBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000732090972	660153899	/nfs/dbraw/zinc/15/38/99/660153899.db2.gz	WUOXIDCHVRSMKL-NSHDSACASA-N	-2	0	370.366	-0.076	20	0		FBADRL
COCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000732521931	660160791	/nfs/dbraw/zinc/16/07/91/660160791.db2.gz	WYSYXMQSZWWVKP-UHFFFAOYSA-N	-2	0	357.413	-0.072	20	0		FBADRL
CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000736136207	600162882	/nfs/dbraw/zinc/16/28/82/600162882.db2.gz	VSGGNQXDNJKUAL-GFCCVEGCSA-N	-2	0	361.420	-0.598	20	0		FBADRL
CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000736136210	600162840	/nfs/dbraw/zinc/16/28/40/600162840.db2.gz	VSGGNQXDNJKUAL-LBPRGKRZSA-N	-2	0	361.420	-0.598	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])s1	ZINC000736152332	599729528	/nfs/dbraw/zinc/72/95/28/599729528.db2.gz	MHKKMJKEHYMXCS-NXEZZACHSA-N	-2	0	360.413	-0.048	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])s1	ZINC000736152334	599729512	/nfs/dbraw/zinc/72/95/12/599729512.db2.gz	MHKKMJKEHYMXCS-UWVGGRQHSA-N	-2	0	360.413	-0.048	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])s1	ZINC000736152336	599729451	/nfs/dbraw/zinc/72/94/51/599729451.db2.gz	MHKKMJKEHYMXCS-VHSXEESVSA-N	-2	0	360.413	-0.048	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1	ZINC000736152338	599729430	/nfs/dbraw/zinc/72/94/30/599729430.db2.gz	MHKKMJKEHYMXCS-ZJUUUORDSA-N	-2	0	360.413	-0.048	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])s1	ZINC000736152619	599800566	/nfs/dbraw/zinc/80/05/66/599800566.db2.gz	QVDMBSUHAJDPKO-UHFFFAOYSA-N	-2	0	363.417	-0.111	20	0		FBADRL
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000736155567	599871726	/nfs/dbraw/zinc/87/17/26/599871726.db2.gz	JJQAHPXDCZIGHP-QMMMGPOBSA-N	-2	0	350.374	-0.410	20	0		FBADRL
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c1	ZINC000736161896	600179288	/nfs/dbraw/zinc/17/92/88/600179288.db2.gz	WCBLOLNVUCJILV-UHFFFAOYSA-N	-2	0	357.344	-0.252	20	0		FBADRL
CC(=O)c1[nH]c(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c(C(=O)[O-])c1C	ZINC000736183862	600170422	/nfs/dbraw/zinc/17/04/22/600170422.db2.gz	YHIXAXUCEJMYSX-JTQLQIEISA-N	-2	0	362.346	-0.120	20	0		FBADRL
CC(=O)c1[nH]c(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c(C(=O)[O-])c1C	ZINC000736183867	600170231	/nfs/dbraw/zinc/17/02/31/600170231.db2.gz	YHIXAXUCEJMYSX-SNVBAGLBSA-N	-2	0	362.346	-0.120	20	0		FBADRL
C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000736214398	600462117	/nfs/dbraw/zinc/46/21/17/600462117.db2.gz	FHCGLXBJMGRIFM-GARJFASQSA-N	-2	0	374.415	-0.139	20	0		FBADRL
C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000736214399	600462102	/nfs/dbraw/zinc/46/21/02/600462102.db2.gz	FHCGLXBJMGRIFM-GMTAPVOTSA-N	-2	0	374.415	-0.139	20	0		FBADRL
C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000736214400	600462052	/nfs/dbraw/zinc/46/20/52/600462052.db2.gz	FHCGLXBJMGRIFM-MXWKQRLJSA-N	-2	0	374.415	-0.139	20	0		FBADRL
C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000736214401	600462070	/nfs/dbraw/zinc/46/20/70/600462070.db2.gz	FHCGLXBJMGRIFM-VWYCJHECSA-N	-2	0	374.415	-0.139	20	0		FBADRL
CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000736373293	599884311	/nfs/dbraw/zinc/88/43/11/599884311.db2.gz	BVZMCASVHVBIBD-LLVKDONJSA-N	-2	0	372.403	-0.048	20	0		FBADRL
CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000736373294	604374970	/nfs/dbraw/zinc/37/49/70/604374970.db2.gz	BVZMCASVHVBIBD-NSHDSACASA-N	-2	0	372.403	-0.048	20	0		FBADRL
CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000736376739	604373816	/nfs/dbraw/zinc/37/38/16/604373816.db2.gz	XFGWWFFLOOMGGQ-JTQLQIEISA-N	-2	0	372.403	-0.120	20	0		FBADRL
CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000736376741	599883995	/nfs/dbraw/zinc/88/39/95/599883995.db2.gz	XFGWWFFLOOMGGQ-SNVBAGLBSA-N	-2	0	372.403	-0.120	20	0		FBADRL
CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000736377257	599883985	/nfs/dbraw/zinc/88/39/85/599883985.db2.gz	YSSCEGRTTZESBP-LLVKDONJSA-N	-2	0	368.375	-0.241	20	0		FBADRL
CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000736377259	604373859	/nfs/dbraw/zinc/37/38/59/604373859.db2.gz	YSSCEGRTTZESBP-NSHDSACASA-N	-2	0	368.375	-0.241	20	0		FBADRL
CC(C)C[C@H](NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000736416885	600175290	/nfs/dbraw/zinc/17/52/90/600175290.db2.gz	UYXPFCOUGQTYSJ-JTQLQIEISA-N	-2	0	365.346	-0.770	20	0		FBADRL
CC(C)C[C@@H](NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000736416886	600175326	/nfs/dbraw/zinc/17/53/26/600175326.db2.gz	UYXPFCOUGQTYSJ-SNVBAGLBSA-N	-2	0	365.346	-0.770	20	0		FBADRL
CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736428026	600421586	/nfs/dbraw/zinc/42/15/86/600421586.db2.gz	JJVHXFHRYDXARK-UHFFFAOYSA-N	-2	0	363.436	-0.304	20	0		FBADRL
CCS(=O)(=O)[N-]C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C	ZINC000736658316	598752126	/nfs/dbraw/zinc/75/21/26/598752126.db2.gz	AXZPPYCTHZQSFX-UHFFFAOYSA-N	-2	0	354.392	-0.017	20	0		FBADRL
C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736700887	600129882	/nfs/dbraw/zinc/12/98/82/600129882.db2.gz	OCOKETPXSHTLII-CMPLNLGQSA-N	-2	0	364.420	-0.272	20	0		FBADRL
C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736700889	600129916	/nfs/dbraw/zinc/12/99/16/600129916.db2.gz	OCOKETPXSHTLII-JQWIXIFHSA-N	-2	0	364.420	-0.272	20	0		FBADRL
C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736700890	600129632	/nfs/dbraw/zinc/12/96/32/600129632.db2.gz	OCOKETPXSHTLII-PWSUYJOCSA-N	-2	0	364.420	-0.272	20	0		FBADRL
C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736700892	600129678	/nfs/dbraw/zinc/12/96/78/600129678.db2.gz	OCOKETPXSHTLII-ZYHUDNBSSA-N	-2	0	364.420	-0.272	20	0		FBADRL
C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736715056	600465554	/nfs/dbraw/zinc/46/55/54/600465554.db2.gz	LKEZQLYVKYGZPU-SSDOTTSWSA-N	-2	0	363.421	-0.201	20	0		FBADRL
C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736715057	600465647	/nfs/dbraw/zinc/46/56/47/600465647.db2.gz	LKEZQLYVKYGZPU-ZETCQYMHSA-N	-2	0	363.421	-0.201	20	0		FBADRL
CC1(C)NC(=O)N(CCCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1=O	ZINC000736736689	600464736	/nfs/dbraw/zinc/46/47/36/600464736.db2.gz	BQXUGYRXCSIOAE-UHFFFAOYSA-N	-2	0	363.392	-0.592	20	0		FBADRL
C[C@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1=O	ZINC000736737196	600464753	/nfs/dbraw/zinc/46/47/53/600464753.db2.gz	GLHWRPRMTTZTII-CYBMUJFWSA-N	-2	0	361.376	-0.982	20	0		FBADRL
C[C@@]1(C2CC2)NC(=O)N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1=O	ZINC000736737197	600464713	/nfs/dbraw/zinc/46/47/13/600464713.db2.gz	GLHWRPRMTTZTII-ZDUSSCGKSA-N	-2	0	361.376	-0.982	20	0		FBADRL
C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CS2	ZINC000736745639	600464711	/nfs/dbraw/zinc/46/47/11/600464711.db2.gz	JHFKELXOCCQQON-PELKAZGASA-N	-2	0	350.418	-0.249	20	0		FBADRL
C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CS2	ZINC000736745640	600464708	/nfs/dbraw/zinc/46/47/08/600464708.db2.gz	JHFKELXOCCQQON-PRHODGIISA-N	-2	0	350.418	-0.249	20	0		FBADRL
C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CS2	ZINC000736745641	600464672	/nfs/dbraw/zinc/46/46/72/600464672.db2.gz	JHFKELXOCCQQON-QPUJVOFHSA-N	-2	0	350.418	-0.249	20	0		FBADRL
C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CS2	ZINC000736745643	600465058	/nfs/dbraw/zinc/46/50/58/600465058.db2.gz	JHFKELXOCCQQON-UFBFGSQYSA-N	-2	0	350.418	-0.249	20	0		FBADRL
CC[C@@H](C)[C@@H](NC(=O)CSc1n[n-]c2nc(=O)c(C)nn21)C(=O)[O-]	ZINC000736873149	600551670	/nfs/dbraw/zinc/55/16/70/600551670.db2.gz	OTCJJNYEWXIIQU-HZGVNTEJSA-N	-2	0	354.392	-0.171	20	0		FBADRL
CC[C@H](C)[C@@H](NC(=O)CSc1n[n-]c2nc(=O)c(C)nn21)C(=O)[O-]	ZINC000736873156	600551884	/nfs/dbraw/zinc/55/18/84/600551884.db2.gz	OTCJJNYEWXIIQU-IMTBSYHQSA-N	-2	0	354.392	-0.171	20	0		FBADRL
CC[C@@H](C)[C@H](NC(=O)CSc1n[n-]c2nc(=O)c(C)nn21)C(=O)[O-]	ZINC000736873160	600551831	/nfs/dbraw/zinc/55/18/31/600551831.db2.gz	OTCJJNYEWXIIQU-MUWHJKNJSA-N	-2	0	354.392	-0.171	20	0		FBADRL
CC[C@H](C)[C@H](NC(=O)CSc1n[n-]c2nc(=O)c(C)nn21)C(=O)[O-]	ZINC000736873164	600551570	/nfs/dbraw/zinc/55/15/70/600551570.db2.gz	OTCJJNYEWXIIQU-RCOVLWMOSA-N	-2	0	354.392	-0.171	20	0		FBADRL
CC[C@@H](C)[C@H](NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000736884218	600175198	/nfs/dbraw/zinc/17/51/98/600175198.db2.gz	KPNZFPGTZCJOEY-PELKAZGASA-N	-2	0	365.346	-0.770	20	0		FBADRL
CC[C@@H](C)[C@@H](NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000736884219	600175336	/nfs/dbraw/zinc/17/53/36/600175336.db2.gz	KPNZFPGTZCJOEY-PRHODGIISA-N	-2	0	365.346	-0.770	20	0		FBADRL
CC[C@H](C)[C@@H](NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000736884220	600175271	/nfs/dbraw/zinc/17/52/71/600175271.db2.gz	KPNZFPGTZCJOEY-QPUJVOFHSA-N	-2	0	365.346	-0.770	20	0		FBADRL
CC[C@H](C)[C@H](NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000736884221	600175219	/nfs/dbraw/zinc/17/52/19/600175219.db2.gz	KPNZFPGTZCJOEY-UFBFGSQYSA-N	-2	0	365.346	-0.770	20	0		FBADRL
CCC1(CC)NC(=O)N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1=O	ZINC000736930903	600461099	/nfs/dbraw/zinc/46/10/99/600461099.db2.gz	ALIXRKWZAPIDCE-UHFFFAOYSA-N	-2	0	363.392	-0.592	20	0		FBADRL
CCCS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000737034750	600465169	/nfs/dbraw/zinc/46/51/69/600465169.db2.gz	DFHDHRPMTGDEAE-JTQLQIEISA-N	-2	0	370.449	-0.499	20	0		FBADRL
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000737034751	600465141	/nfs/dbraw/zinc/46/51/41/600465141.db2.gz	DFHDHRPMTGDEAE-SNVBAGLBSA-N	-2	0	370.449	-0.499	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-]	ZINC000737134851	603071678	/nfs/dbraw/zinc/07/16/78/603071678.db2.gz	FLFYLYYJALSNHD-SECBINFHSA-N	-2	0	351.381	-0.577	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-]	ZINC000737134852	603071470	/nfs/dbraw/zinc/07/14/70/603071470.db2.gz	FLFYLYYJALSNHD-VIFPVBQESA-N	-2	0	351.381	-0.577	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-]	ZINC000737134877	600518390	/nfs/dbraw/zinc/51/83/90/600518390.db2.gz	GIAJWKBYQGJQKE-JTQLQIEISA-N	-2	0	365.408	-0.235	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-]	ZINC000737134878	600518405	/nfs/dbraw/zinc/51/84/05/600518405.db2.gz	GIAJWKBYQGJQKE-SNVBAGLBSA-N	-2	0	365.408	-0.235	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000737136431	603072823	/nfs/dbraw/zinc/07/28/23/603072823.db2.gz	SWXPGWNOHIGOPN-NXEZZACHSA-N	-2	0	365.408	-0.333	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000737136433	604376234	/nfs/dbraw/zinc/37/62/34/604376234.db2.gz	SWXPGWNOHIGOPN-UWVGGRQHSA-N	-2	0	365.408	-0.333	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000737136435	603072946	/nfs/dbraw/zinc/07/29/46/603072946.db2.gz	SWXPGWNOHIGOPN-VHSXEESVSA-N	-2	0	365.408	-0.333	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000737136437	604376382	/nfs/dbraw/zinc/37/63/82/604376382.db2.gz	SWXPGWNOHIGOPN-ZJUUUORDSA-N	-2	0	365.408	-0.333	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-]	ZINC000737136906	600518408	/nfs/dbraw/zinc/51/84/08/600518408.db2.gz	ZWYNODQQEGMLMP-SECBINFHSA-N	-2	0	368.433	-0.417	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-]	ZINC000737136909	600518454	/nfs/dbraw/zinc/51/84/54/600518454.db2.gz	ZWYNODQQEGMLMP-VIFPVBQESA-N	-2	0	368.433	-0.417	20	0		FBADRL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1	ZINC000737148459	599738935	/nfs/dbraw/zinc/73/89/35/599738935.db2.gz	MVVQFNSPOXDVIW-UHFFFAOYSA-N	-2	0	357.348	-0.023	20	0		FBADRL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1	ZINC000737148853	600529893	/nfs/dbraw/zinc/52/98/93/600529893.db2.gz	QMSJQMUMBKENDH-UHFFFAOYSA-N	-2	0	357.348	-0.023	20	0		FBADRL
CS(=O)(=O)CCSCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC000737161641	598419531	/nfs/dbraw/zinc/41/95/31/598419531.db2.gz	BDQFSMPBIGOMMI-UHFFFAOYSA-N	-2	0	355.405	-0.107	20	0		FBADRL
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737177103	599911901	/nfs/dbraw/zinc/91/19/01/599911901.db2.gz	NIIOAOCITYLIKL-JTQLQIEISA-N	-2	0	352.409	-0.414	20	0		FBADRL
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737177105	599911875	/nfs/dbraw/zinc/91/18/75/599911875.db2.gz	NIIOAOCITYLIKL-SNVBAGLBSA-N	-2	0	352.409	-0.414	20	0		FBADRL
CCS(=O)(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000737222590	600464278	/nfs/dbraw/zinc/46/42/78/600464278.db2.gz	DNMYAIYQKOULPE-UHFFFAOYSA-N	-2	0	370.449	-0.641	20	0		FBADRL
CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1	ZINC000737223146	600465199	/nfs/dbraw/zinc/46/51/99/600465199.db2.gz	XRUDITLQXLVFQV-JTQLQIEISA-N	-2	0	370.449	-0.641	20	0		FBADRL
CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1	ZINC000737223147	600465086	/nfs/dbraw/zinc/46/50/86/600465086.db2.gz	XRUDITLQXLVFQV-SNVBAGLBSA-N	-2	0	370.449	-0.641	20	0		FBADRL
CCn1c(=O)[nH]c2cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc2c1=O	ZINC000737291817	600178229	/nfs/dbraw/zinc/17/82/29/600178229.db2.gz	GHQPAVGWJQUAMF-UHFFFAOYSA-N	-2	0	355.328	-0.734	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-]	ZINC000737362383	599911868	/nfs/dbraw/zinc/91/18/68/599911868.db2.gz	VLRDAXMURYEFOY-UHFFFAOYSA-N	-2	0	372.403	-0.022	20	0		FBADRL
CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1	ZINC000737374694	600181763	/nfs/dbraw/zinc/18/17/63/600181763.db2.gz	WAQAHIKCHCBXCL-UHFFFAOYSA-N	-2	0	359.389	-0.004	20	0		FBADRL
CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC000737375328	600465631	/nfs/dbraw/zinc/46/56/31/600465631.db2.gz	FPXBMWCPADRYBR-UHFFFAOYSA-N	-2	0	367.405	-0.811	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1	ZINC000737375788	600179316	/nfs/dbraw/zinc/17/93/16/600179316.db2.gz	NKCIRHGQCUCAJC-UHFFFAOYSA-N	-2	0	350.374	-0.919	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])o1	ZINC000737376726	600464312	/nfs/dbraw/zinc/46/43/12/600464312.db2.gz	WJUKOLNBGPCQBE-UHFFFAOYSA-N	-2	0	368.389	-0.546	20	0		FBADRL
CN(CC(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000737393193	603045572	/nfs/dbraw/zinc/04/55/72/603045572.db2.gz	JSMWEUSMFNPXME-UHFFFAOYSA-N	-2	0	370.431	-0.225	20	0		FBADRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000737393911	602949658	/nfs/dbraw/zinc/94/96/58/602949658.db2.gz	UDJZDVUVGQXQBD-UHFFFAOYSA-N	-2	0	350.374	-0.495	20	0		FBADRL
CN(CCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000737429986	599910585	/nfs/dbraw/zinc/91/05/85/599910585.db2.gz	SODZPIGDKLAXQQ-UHFFFAOYSA-N	-2	0	368.375	-0.143	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cc2C1=O	ZINC000737505008	599738841	/nfs/dbraw/zinc/73/88/41/599738841.db2.gz	BBKJPLKQDGWIEM-UHFFFAOYSA-N	-2	0	364.339	-0.006	20	0		FBADRL
CN1C(=O)c2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2C1=O	ZINC000737505309	600465636	/nfs/dbraw/zinc/46/56/36/600465636.db2.gz	ICTJALRTYOLVAL-UHFFFAOYSA-N	-2	0	354.340	-0.163	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cc2C1=O	ZINC000737505908	600529664	/nfs/dbraw/zinc/52/96/64/600529664.db2.gz	RPHNOJHBAXDPPE-UHFFFAOYSA-N	-2	0	364.339	-0.006	20	0		FBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000737545155	600056808	/nfs/dbraw/zinc/05/68/08/600056808.db2.gz	VPKJINPWWUBQOF-UHFFFAOYSA-N	-2	0	370.387	-0.788	20	0		FBADRL
CNC(=O)c1cncc(/C=C\C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC000737552246	600461124	/nfs/dbraw/zinc/46/11/24/600461124.db2.gz	QCGWYBFHKXUQIV-PLNGDYQASA-N	-2	0	355.372	-0.235	20	0		FBADRL
CNC(=O)c1cncc(/C=C/C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC000737552247	600461110	/nfs/dbraw/zinc/46/11/10/600461110.db2.gz	QCGWYBFHKXUQIV-SNAWJCMRSA-N	-2	0	355.372	-0.235	20	0		FBADRL
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1	ZINC000737557395	600530821	/nfs/dbraw/zinc/53/08/21/600530821.db2.gz	JPFXQGRGEJADPT-UHFFFAOYSA-N	-2	0	374.400	-0.323	20	0		FBADRL
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1	ZINC000737557872	599738949	/nfs/dbraw/zinc/73/89/49/599738949.db2.gz	PTYLACYPODRRDU-UHFFFAOYSA-N	-2	0	374.400	-0.323	20	0		FBADRL
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1	ZINC000737558434	599738339	/nfs/dbraw/zinc/73/83/39/599738339.db2.gz	ZOXQCMGCYZRXGY-UHFFFAOYSA-N	-2	0	374.400	-0.323	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])CC1	ZINC000737586645	599799218	/nfs/dbraw/zinc/79/92/18/599799218.db2.gz	CLJYDGOQMUCTNC-UHFFFAOYSA-N	-2	0	368.433	-0.560	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-])CC1	ZINC000737586791	599911917	/nfs/dbraw/zinc/91/19/17/599911917.db2.gz	HYUMJWGSVDDQAK-UHFFFAOYSA-N	-2	0	365.408	-0.378	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000737587506	604375468	/nfs/dbraw/zinc/37/54/68/604375468.db2.gz	QOZPOLMJEIRIHI-JTQLQIEISA-N	-2	0	365.408	-0.475	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000737587507	599884762	/nfs/dbraw/zinc/88/47/62/599884762.db2.gz	QOZPOLMJEIRIHI-SNVBAGLBSA-N	-2	0	365.408	-0.475	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])CC1	ZINC000737587903	599799340	/nfs/dbraw/zinc/79/93/40/599799340.db2.gz	VUYILVQWDZBTKI-UHFFFAOYSA-N	-2	0	351.381	-0.720	20	0		FBADRL
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000737608995	599754536	/nfs/dbraw/zinc/75/45/36/599754536.db2.gz	RQWBPYCGDNMJKL-UHFFFAOYSA-N	-2	0	365.367	-0.078	20	0		FBADRL
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000737610748	600682704	/nfs/dbraw/zinc/68/27/04/600682704.db2.gz	NCQKHBARGFZHNF-UHFFFAOYSA-N	-2	0	350.287	-0.556	20	0		FBADRL
COC(=O)CSCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737627407	599799187	/nfs/dbraw/zinc/79/91/87/599799187.db2.gz	HFQMQWCCKGMONL-UHFFFAOYSA-N	-2	0	368.433	-0.560	20	0		FBADRL
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737631782	599911816	/nfs/dbraw/zinc/91/18/16/599911816.db2.gz	QGJNQTAPVWWHEY-UHFFFAOYSA-N	-2	0	365.408	-0.378	20	0		FBADRL
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000737634721	599965583	/nfs/dbraw/zinc/96/55/83/599965583.db2.gz	VFMLZIDNOUVOIX-JTQLQIEISA-N	-2	0	365.408	-0.475	20	0		FBADRL
COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000737634722	599884666	/nfs/dbraw/zinc/88/46/66/599884666.db2.gz	VFMLZIDNOUVOIX-SNVBAGLBSA-N	-2	0	365.408	-0.475	20	0		FBADRL
COC(=O)NCCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737638756	599799518	/nfs/dbraw/zinc/79/95/18/599799518.db2.gz	WMJVUDWIRAAYJQ-UHFFFAOYSA-N	-2	0	351.381	-0.720	20	0		FBADRL
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C	ZINC000737734557	600814617	/nfs/dbraw/zinc/81/46/17/600814617.db2.gz	ZXXOIWGINIDXEZ-ZDUSSCGKSA-N	-2	0	372.399	-0.023	20	0		FBADRL
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1	ZINC000737813616	600898183	/nfs/dbraw/zinc/89/81/83/600898183.db2.gz	CJOONZWBMFQLFD-UHFFFAOYSA-N	-2	0	372.359	-0.262	20	0		FBADRL
COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000737824031	600395478	/nfs/dbraw/zinc/39/54/78/600395478.db2.gz	OEYDHDDXKVJJGB-UHFFFAOYSA-N	-2	0	352.390	-0.562	20	0		FBADRL
CON(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1	ZINC000737837113	600179228	/nfs/dbraw/zinc/17/92/28/600179228.db2.gz	ZSSSDXZBZYDDAK-UHFFFAOYSA-N	-2	0	366.373	-0.987	20	0		FBADRL
COc1c(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)nn1C	ZINC000737839822	600520539	/nfs/dbraw/zinc/52/05/39/600520539.db2.gz	OZEQTNWNTQEBNU-UHFFFAOYSA-N	-2	0	360.392	-0.492	20	0		FBADRL
COc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1OCC(N)=O	ZINC000737849528	600462599	/nfs/dbraw/zinc/46/25/99/600462599.db2.gz	PHMURMAEJPKRNQ-UHFFFAOYSA-N	-2	0	374.371	-0.516	20	0		FBADRL
COc1cc2c(cc1OC)CN(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])CC2	ZINC000737906433	599913590	/nfs/dbraw/zinc/91/35/90/599913590.db2.gz	HEMYQLRTWMBLRC-UHFFFAOYSA-N	-2	0	373.387	-0.310	20	0		FBADRL
COc1ccc([C@@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])NC(C)=O)cc1	ZINC000737947146	600179356	/nfs/dbraw/zinc/17/93/56/600179356.db2.gz	HAQFIDZSTBBSFR-GFCCVEGCSA-N	-2	0	358.372	-0.207	20	0		FBADRL
COc1ccc([C@H](CC(=O)[N-]S(=O)(=O)CC(=O)[O-])NC(C)=O)cc1	ZINC000737947151	600179418	/nfs/dbraw/zinc/17/94/18/600179418.db2.gz	HAQFIDZSTBBSFR-LBPRGKRZSA-N	-2	0	358.372	-0.207	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C(N)=O	ZINC000738069576	599739080	/nfs/dbraw/zinc/73/90/80/599739080.db2.gz	LYTOTDYROYBWIG-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1	ZINC000738140789	602949417	/nfs/dbraw/zinc/94/94/17/602949417.db2.gz	NDAJVLUKIZRVRJ-UHFFFAOYSA-N	-2	0	350.374	-0.447	20	0		FBADRL
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738148619	597379482	/nfs/dbraw/zinc/37/94/82/597379482.db2.gz	AZEZIWFYUQIPDO-LLVKDONJSA-N	-2	0	359.342	-0.198	20	0		FBADRL
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738148620	597379447	/nfs/dbraw/zinc/37/94/47/597379447.db2.gz	AZEZIWFYUQIPDO-NSHDSACASA-N	-2	0	359.342	-0.198	20	0		FBADRL
CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738157969	600465626	/nfs/dbraw/zinc/46/56/26/600465626.db2.gz	NKISXMVWYLYUQY-SECBINFHSA-N	-2	0	356.422	-0.889	20	0		FBADRL
CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738157971	600465497	/nfs/dbraw/zinc/46/54/97/600465497.db2.gz	NKISXMVWYLYUQY-VIFPVBQESA-N	-2	0	356.422	-0.889	20	0		FBADRL
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc1Cl	ZINC000738168402	600178167	/nfs/dbraw/zinc/17/81/67/600178167.db2.gz	OBGKLIOFFJDOBI-UHFFFAOYSA-N	-2	0	355.777	-0.112	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c1	ZINC000738175634	599799037	/nfs/dbraw/zinc/79/90/37/599799037.db2.gz	BYBONFGQTMAUQF-UHFFFAOYSA-N	-2	0	364.401	-0.057	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])c1	ZINC000738176764	599798920	/nfs/dbraw/zinc/79/89/20/599798920.db2.gz	YDDOPSAONNNSDH-UHFFFAOYSA-N	-2	0	350.374	-0.447	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1	ZINC000738176833	602949441	/nfs/dbraw/zinc/94/94/41/602949441.db2.gz	CGUFDXYNWDNPDT-UHFFFAOYSA-N	-2	0	364.401	-0.057	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)[O-]	ZINC000738206018	598505688	/nfs/dbraw/zinc/50/56/88/598505688.db2.gz	AIPZSSUHCOSJEJ-VIFPVBQESA-N	-2	0	355.332	-0.537	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)[O-]	ZINC000738209458	598505958	/nfs/dbraw/zinc/50/59/58/598505958.db2.gz	OTKLOKWONNTAQB-VIFPVBQESA-N	-2	0	355.332	-0.537	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)C(=O)[O-]	ZINC000738211604	598505743	/nfs/dbraw/zinc/50/57/43/598505743.db2.gz	SIYHVKKIFGXZJI-QMMMGPOBSA-N	-2	0	355.332	-0.537	20	0		FBADRL
Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000738248386	600232168	/nfs/dbraw/zinc/23/21/68/600232168.db2.gz	DZMCIARKBLPKHN-UHFFFAOYSA-N	-2	0	374.400	-0.118	20	0		FBADRL
Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000738248988	600230651	/nfs/dbraw/zinc/23/06/51/600230651.db2.gz	LYUMXWHAICZIMZ-UHFFFAOYSA-N	-2	0	374.400	-0.118	20	0		FBADRL
O=C(c1cc(=O)[nH][n-]1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1	ZINC000738294591	598719699	/nfs/dbraw/zinc/71/96/99/598719699.db2.gz	DTQXWWBUAIYUNJ-UHFFFAOYSA-N	-2	0	371.361	-0.743	20	0		FBADRL
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1-n1cnnn1	ZINC000738331919	600464226	/nfs/dbraw/zinc/46/42/26/600464226.db2.gz	AHDMGDHDAUJGSV-UHFFFAOYSA-N	-2	0	353.360	-0.105	20	0		FBADRL
Cc1[nH]nc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c1C(=O)[O-]	ZINC000738335886	600235514	/nfs/dbraw/zinc/23/55/14/600235514.db2.gz	ZIVRBLSXXCFFCA-UHFFFAOYSA-N	-2	0	356.364	-0.498	20	0		FBADRL
Cc1nn2c(SCC(=O)N3CCC(C(=O)[O-])CC3)n[n-]c2nc1=O	ZINC000738379237	600552261	/nfs/dbraw/zinc/55/22/61/600552261.db2.gz	QGIHFCOCUBSVQN-UHFFFAOYSA-N	-2	0	352.376	-0.464	20	0		FBADRL
Cc1nn2c(S[C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)n[n-]c2nc1=O	ZINC000738379833	600552219	/nfs/dbraw/zinc/55/22/19/600552219.db2.gz	VQSIRQDVKQHCFQ-MRVPVSSYSA-N	-2	0	366.403	-0.075	20	0		FBADRL
Cc1nn2c(S[C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)n[n-]c2nc1=O	ZINC000738379834	600552084	/nfs/dbraw/zinc/55/20/84/600552084.db2.gz	VQSIRQDVKQHCFQ-QMMMGPOBSA-N	-2	0	366.403	-0.075	20	0		FBADRL
Cn1[n-]c(Br)c2c(=NCCNC(=O)CNC(=O)[O-])ncnc1-2	ZINC000738398127	602523452	/nfs/dbraw/zinc/52/34/52/602523452.db2.gz	JQXLZAMQXNJEET-UHFFFAOYSA-N	-2	0	372.183	-0.705	20	0		FBADRL
O=C([O-])c1ccc(NC(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000738471921	600175687	/nfs/dbraw/zinc/17/56/87/600175687.db2.gz	OQGKLDVXJLAJDA-UHFFFAOYSA-N	-2	0	371.309	-0.049	20	0		FBADRL
O=C([O-])c1ccccc1NC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738472032	600175720	/nfs/dbraw/zinc/17/57/20/600175720.db2.gz	SZCULZQOOHBBOD-UHFFFAOYSA-N	-2	0	371.309	-0.049	20	0		FBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1	ZINC000738550740	597105709	/nfs/dbraw/zinc/10/57/09/597105709.db2.gz	STEDFNOEHDBHQG-UHFFFAOYSA-N	-2	0	360.413	-0.055	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])s1	ZINC000738555540	602622653	/nfs/dbraw/zinc/62/26/53/602622653.db2.gz	KPCSHRINYYGXDM-UHFFFAOYSA-N	-2	0	363.417	-0.159	20	0		FBADRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1	ZINC000738571491	602675741	/nfs/dbraw/zinc/67/57/41/602675741.db2.gz	GYICMQPEAYKWES-UHFFFAOYSA-N	-2	0	359.360	-0.266	20	0		FBADRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000738657499	603045829	/nfs/dbraw/zinc/04/58/29/603045829.db2.gz	OWFGIOOOIITQPC-UHFFFAOYSA-N	-2	0	370.431	-0.177	20	0		FBADRL
Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C2=O	ZINC000738666094	600464330	/nfs/dbraw/zinc/46/43/30/600464330.db2.gz	SHZLSRBJJQUMGS-UHFFFAOYSA-N	-2	0	368.367	-0.098	20	0		FBADRL
CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)NC(=O)[O-]	ZINC000738735031	603160101	/nfs/dbraw/zinc/16/01/01/603160101.db2.gz	NTAOPMPTWQFWOI-UHFFFAOYSA-N	-2	0	368.375	-0.097	20	0		FBADRL
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)c2n1	ZINC000738793534	599793249	/nfs/dbraw/zinc/79/32/49/599793249.db2.gz	YDWQUKQVIXOJTD-UHFFFAOYSA-N	-2	0	367.387	-0.191	20	0		FBADRL
Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1C(=O)[O-]	ZINC000738827648	600229406	/nfs/dbraw/zinc/22/94/06/600229406.db2.gz	KEULCHVKNBGICC-UHFFFAOYSA-N	-2	0	360.373	-0.135	20	0		FBADRL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)c1C(=O)[O-]	ZINC000738828223	600234363	/nfs/dbraw/zinc/23/43/63/600234363.db2.gz	SHCILKJKTCLICM-UHFFFAOYSA-N	-2	0	360.373	-0.135	20	0		FBADRL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1C(=O)[O-]	ZINC000738828537	600229362	/nfs/dbraw/zinc/22/93/62/600229362.db2.gz	FJFVXKOBDOTCSS-UHFFFAOYSA-N	-2	0	360.373	-0.135	20	0		FBADRL
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738837435	602672990	/nfs/dbraw/zinc/67/29/90/602672990.db2.gz	RVUNVOBJSBNRIH-UHFFFAOYSA-N	-2	0	374.423	-0.092	20	0		FBADRL
Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738881893	600462550	/nfs/dbraw/zinc/46/25/50/600462550.db2.gz	NNZLAUCVNWOSEG-UHFFFAOYSA-N	-2	0	369.403	-0.015	20	0		FBADRL
Cc1nc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCC(=O)[O-])c2)c[nH]1	ZINC000738887522	600096610	/nfs/dbraw/zinc/09/66/10/600096610.db2.gz	BTNFDDDIOWGMMU-UHFFFAOYSA-N	-2	0	374.400	-0.118	20	0		FBADRL
Cc1nc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)c[nH]1	ZINC000738887978	600094759	/nfs/dbraw/zinc/09/47/59/600094759.db2.gz	INQALSWLOHDWEE-UHFFFAOYSA-N	-2	0	374.400	-0.118	20	0		FBADRL
Cc1nn2c([n-]nc2SCC(=O)N[C@H](CC(C)C)C(=O)[O-])nc1=O	ZINC000738928439	600552255	/nfs/dbraw/zinc/55/22/55/600552255.db2.gz	SNFGKWFYTQVEDD-MRVPVSSYSA-N	-2	0	354.392	-0.171	20	0		FBADRL
Cc1nn2c([n-]nc2SCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nc1=O	ZINC000738928441	600552242	/nfs/dbraw/zinc/55/22/42/600552242.db2.gz	SNFGKWFYTQVEDD-QMMMGPOBSA-N	-2	0	354.392	-0.171	20	0		FBADRL
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000738934780	599793166	/nfs/dbraw/zinc/79/31/66/599793166.db2.gz	VWYXLECRLFDGKR-UHFFFAOYSA-N	-2	0	367.387	-0.191	20	0		FBADRL
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)cn12	ZINC000738936572	600242277	/nfs/dbraw/zinc/24/22/77/600242277.db2.gz	ISSSFRKLDYDZRT-UHFFFAOYSA-N	-2	0	367.387	-0.191	20	0		FBADRL
Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738974805	600465100	/nfs/dbraw/zinc/46/51/00/600465100.db2.gz	GTJKHZWHDZAGGE-UHFFFAOYSA-N	-2	0	357.344	-0.241	20	0		FBADRL
C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000738994308	602950185	/nfs/dbraw/zinc/95/01/85/602950185.db2.gz	KQKPZPUZFZIXAL-SSDOTTSWSA-N	-2	0	350.374	-0.449	20	0		FBADRL
C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000738994309	602950215	/nfs/dbraw/zinc/95/02/15/602950215.db2.gz	KQKPZPUZFZIXAL-ZETCQYMHSA-N	-2	0	350.374	-0.449	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]c3cnn(CC(=O)[O-])c3)cc2n(C)c1=O	ZINC000739002086	600529567	/nfs/dbraw/zinc/52/95/67/600529567.db2.gz	CTWVXQKAPZGRML-UHFFFAOYSA-N	-2	0	365.371	-0.041	20	0		FBADRL
Cn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1=O	ZINC000739006391	600465993	/nfs/dbraw/zinc/46/59/93/600465993.db2.gz	TVCIXYXPZJAAPA-UHFFFAOYSA-N	-2	0	355.372	-0.349	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]c3ccn(CC(=O)[O-])n3)cc2n(C)c1=O	ZINC000739007437	599738564	/nfs/dbraw/zinc/73/85/64/599738564.db2.gz	XSSPNBOMSFBZMC-UHFFFAOYSA-N	-2	0	365.371	-0.041	20	0		FBADRL
Cn1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)n1	ZINC000739039225	600096561	/nfs/dbraw/zinc/09/65/61/600096561.db2.gz	PNLWTFWDLQKALY-UHFFFAOYSA-N	-2	0	352.372	-0.036	20	0		FBADRL
Cn1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)n1	ZINC000739039484	600095061	/nfs/dbraw/zinc/09/50/61/600095061.db2.gz	LMLOOTSGEMCVGM-UHFFFAOYSA-N	-2	0	374.400	-0.416	20	0		FBADRL
Cn1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCC(=O)[O-])c2)n1	ZINC000739040212	600096583	/nfs/dbraw/zinc/09/65/83/600096583.db2.gz	TWHSBGXBQCAEGR-UHFFFAOYSA-N	-2	0	374.400	-0.416	20	0		FBADRL
Cn1nc(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc2c1=O	ZINC000739048794	600464234	/nfs/dbraw/zinc/46/42/34/600464234.db2.gz	CAYVUWUSRITIBL-UHFFFAOYSA-N	-2	0	367.383	-0.213	20	0		FBADRL
Cn1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc2c1=O	ZINC000739051855	600465989	/nfs/dbraw/zinc/46/59/89/600465989.db2.gz	YPSNSKNKXXQXAF-UHFFFAOYSA-N	-2	0	353.356	-0.142	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c1	ZINC000739062198	599798799	/nfs/dbraw/zinc/79/87/99/599798799.db2.gz	KDZMLKZXZSDMCR-UHFFFAOYSA-N	-2	0	368.375	-0.270	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1	ZINC000739062228	601047608	/nfs/dbraw/zinc/04/76/08/601047608.db2.gz	LXSPWZSULDTXCO-UHFFFAOYSA-N	-2	0	363.359	-0.041	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1	ZINC000739062241	601047546	/nfs/dbraw/zinc/04/75/46/601047546.db2.gz	NFPSWIFMHGCRLF-UHFFFAOYSA-N	-2	0	363.359	-0.041	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])c1	ZINC000739062261	599798720	/nfs/dbraw/zinc/79/87/20/599798720.db2.gz	OFRULGSOXDECJZ-UHFFFAOYSA-N	-2	0	354.348	-0.660	20	0		FBADRL
Cn1nccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000739062559	600094884	/nfs/dbraw/zinc/09/48/84/600094884.db2.gz	VPCRAVRHGFENHK-UHFFFAOYSA-N	-2	0	374.400	-0.416	20	0		FBADRL
Cn1nccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000739062570	600096442	/nfs/dbraw/zinc/09/64/42/600096442.db2.gz	WJUHUGNEAQTDCJ-UHFFFAOYSA-N	-2	0	374.400	-0.416	20	0		FBADRL
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)ccc21	ZINC000739062690	600163079	/nfs/dbraw/zinc/16/30/79/600163079.db2.gz	YARMIWNLDLCGHI-UHFFFAOYSA-N	-2	0	367.387	-0.261	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000739062701	599728704	/nfs/dbraw/zinc/72/87/04/599728704.db2.gz	YVJDSXJHMVSFQU-NXEZZACHSA-N	-2	0	351.344	-0.597	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000739062702	599728633	/nfs/dbraw/zinc/72/86/33/599728633.db2.gz	YVJDSXJHMVSFQU-UWVGGRQHSA-N	-2	0	351.344	-0.597	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000739062703	599728672	/nfs/dbraw/zinc/72/86/72/599728672.db2.gz	YVJDSXJHMVSFQU-VHSXEESVSA-N	-2	0	351.344	-0.597	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000739062704	599728641	/nfs/dbraw/zinc/72/86/41/599728641.db2.gz	YVJDSXJHMVSFQU-ZJUUUORDSA-N	-2	0	351.344	-0.597	20	0		FBADRL
Cn1nccc1S(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000739062874	600096652	/nfs/dbraw/zinc/09/66/52/600096652.db2.gz	OTIPATNIOCUHKG-UHFFFAOYSA-N	-2	0	352.372	-0.036	20	0		FBADRL
NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1	ZINC000739158172	600392354	/nfs/dbraw/zinc/39/23/54/600392354.db2.gz	SRXXUKOJTOFKQK-UHFFFAOYSA-N	-2	0	354.344	-0.037	20	0		FBADRL
NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1	ZINC000739162608	599737785	/nfs/dbraw/zinc/73/77/85/599737785.db2.gz	DESNVMORGFCLMB-UHFFFAOYSA-N	-2	0	367.339	-0.006	20	0		FBADRL
NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000739162655	599739148	/nfs/dbraw/zinc/73/91/48/599739148.db2.gz	GCIIDUGVAAKHKG-UHFFFAOYSA-N	-2	0	367.339	-0.006	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1	ZINC000739169715	599800289	/nfs/dbraw/zinc/80/02/89/599800289.db2.gz	KYHLVPHGCFEQFV-UHFFFAOYSA-N	-2	0	358.376	-0.292	20	0		FBADRL
NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)s1	ZINC000739176805	599824137	/nfs/dbraw/zinc/82/41/37/599824137.db2.gz	IJOCYNBVEFYPDC-UHFFFAOYSA-N	-2	0	361.401	-0.382	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])s1	ZINC000739181235	600440731	/nfs/dbraw/zinc/44/07/31/600440731.db2.gz	XZKARGXSFCNRJU-UHFFFAOYSA-N	-2	0	352.415	-0.140	20	0		FBADRL
NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000739192611	600673927	/nfs/dbraw/zinc/67/39/27/600673927.db2.gz	MIYHPZWGMOLADS-UHFFFAOYSA-N	-2	0	374.400	-0.443	20	0		FBADRL
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1	ZINC000739199969	600893801	/nfs/dbraw/zinc/89/38/01/600893801.db2.gz	BBXLMGPQFSEBFW-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1	ZINC000739200180	599739382	/nfs/dbraw/zinc/73/93/82/599739382.db2.gz	GDMIDBCRLRHDBC-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1	ZINC000739200716	600529594	/nfs/dbraw/zinc/52/95/94/600529594.db2.gz	JOURJPALQZKLNP-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739200872	603214045	/nfs/dbraw/zinc/21/40/45/603214045.db2.gz	BMMRASCNOMMRMW-PSASIEDQSA-N	-2	0	364.362	-0.309	20	0		FBADRL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739200875	603214086	/nfs/dbraw/zinc/21/40/86/603214086.db2.gz	BMMRASCNOMMRMW-SCZZXKLOSA-N	-2	0	364.362	-0.309	20	0		FBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739200880	603214075	/nfs/dbraw/zinc/21/40/75/603214075.db2.gz	BMMRASCNOMMRMW-WCBMZHEXSA-N	-2	0	364.362	-0.309	20	0		FBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739200884	603214404	/nfs/dbraw/zinc/21/44/04/603214404.db2.gz	BMMRASCNOMMRMW-WPRPVWTQSA-N	-2	0	364.362	-0.309	20	0		FBADRL
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1	ZINC000739201260	599739358	/nfs/dbraw/zinc/73/93/58/599739358.db2.gz	MJUFYQOETRPZPP-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1	ZINC000739201300	600891311	/nfs/dbraw/zinc/89/13/11/600891311.db2.gz	PEPQGNPJPHSPEW-UHFFFAOYSA-N	-2	0	360.373	-0.584	20	0		FBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)CC1	ZINC000739243226	600273323	/nfs/dbraw/zinc/27/33/23/600273323.db2.gz	KFTUHDOAEPOGQA-UHFFFAOYSA-N	-2	0	371.415	-0.214	20	0		FBADRL
O=C([O-])c1cccc(NC(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000739314188	600175799	/nfs/dbraw/zinc/17/57/99/600175799.db2.gz	CWDYFQOBJQFKCR-UHFFFAOYSA-N	-2	0	371.309	-0.049	20	0		FBADRL
CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000739320643	602670546	/nfs/dbraw/zinc/67/05/46/602670546.db2.gz	QSOVNPXTNDRRDR-JTQLQIEISA-N	-2	0	365.408	-0.331	20	0		FBADRL
CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000739320645	602670447	/nfs/dbraw/zinc/67/04/47/602670447.db2.gz	QSOVNPXTNDRRDR-SNVBAGLBSA-N	-2	0	365.408	-0.331	20	0		FBADRL
O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000739321207	600242116	/nfs/dbraw/zinc/24/21/16/600242116.db2.gz	FHGCCDQDLOIQDV-LLVKDONJSA-N	-2	0	350.393	-0.660	20	0		FBADRL
O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000739321210	600242136	/nfs/dbraw/zinc/24/21/36/600242136.db2.gz	FHGCCDQDLOIQDV-NSHDSACASA-N	-2	0	350.393	-0.660	20	0		FBADRL
O=C(COC1CCOCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000739321595	600377333	/nfs/dbraw/zinc/37/73/33/600377333.db2.gz	GONUAQPHSGVZBY-UHFFFAOYSA-N	-2	0	350.393	-0.660	20	0		FBADRL
CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739322028	602669768	/nfs/dbraw/zinc/66/97/68/602669768.db2.gz	XTIWBWHMXCNZQJ-LLVKDONJSA-N	-2	0	368.375	-0.097	20	0		FBADRL
CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739322029	602669893	/nfs/dbraw/zinc/66/98/93/602669893.db2.gz	XTIWBWHMXCNZQJ-NSHDSACASA-N	-2	0	368.375	-0.097	20	0		FBADRL
CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC	ZINC000739322081	603072250	/nfs/dbraw/zinc/07/22/50/603072250.db2.gz	YLWWPCSZZNYQBP-NXEZZACHSA-N	-2	0	365.408	-0.189	20	0		FBADRL
CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC	ZINC000739322082	603072350	/nfs/dbraw/zinc/07/23/50/603072350.db2.gz	YLWWPCSZZNYQBP-UWVGGRQHSA-N	-2	0	365.408	-0.189	20	0		FBADRL
CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC	ZINC000739322083	603072385	/nfs/dbraw/zinc/07/23/85/603072385.db2.gz	YLWWPCSZZNYQBP-VHSXEESVSA-N	-2	0	365.408	-0.189	20	0		FBADRL
CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC	ZINC000739322084	603072359	/nfs/dbraw/zinc/07/23/59/603072359.db2.gz	YLWWPCSZZNYQBP-ZJUUUORDSA-N	-2	0	365.408	-0.189	20	0		FBADRL
O=C([O-])c1ccc(OCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000739355081	599921178	/nfs/dbraw/zinc/92/11/78/599921178.db2.gz	FKFZVMCGEBCKLP-UHFFFAOYSA-N	-2	0	357.326	-0.035	20	0		FBADRL
O=C([O-])[C@@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Cc1ccc(O)cc1	ZINC000739356095	600580913	/nfs/dbraw/zinc/58/09/13/600580913.db2.gz	XBFYCNCVZKHBIC-LLVKDONJSA-N	-2	0	371.353	-0.164	20	0		FBADRL
O=C([O-])[C@H](CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)Cc1ccc(O)cc1	ZINC000739356097	600580918	/nfs/dbraw/zinc/58/09/18/600580918.db2.gz	XBFYCNCVZKHBIC-NSHDSACASA-N	-2	0	371.353	-0.164	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000739394114	602950425	/nfs/dbraw/zinc/95/04/25/602950425.db2.gz	AMCWMPIPBMFVGU-UHFFFAOYSA-N	-2	0	364.401	-0.105	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-]	ZINC000739394171	602866034	/nfs/dbraw/zinc/86/60/34/602866034.db2.gz	BADMWHYZIXCZRR-UHFFFAOYSA-N	-2	0	368.375	-0.318	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000739394304	603005644	/nfs/dbraw/zinc/00/56/44/603005644.db2.gz	BSWXKMRXKMYKRX-UHFFFAOYSA-N	-2	0	355.372	-0.223	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC000739394371	602866071	/nfs/dbraw/zinc/86/60/71/602866071.db2.gz	CTIWOMBIROGCTR-UHFFFAOYSA-N	-2	0	364.401	-0.105	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000739395408	602865346	/nfs/dbraw/zinc/86/53/46/602865346.db2.gz	ONWGGTZRVNCMHC-UHFFFAOYSA-N	-2	0	354.348	-0.533	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	ZINC000739395471	602866049	/nfs/dbraw/zinc/86/60/49/602866049.db2.gz	POZVPNANAHCADG-UHFFFAOYSA-N	-2	0	351.381	-0.768	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C)C(=O)[O-]	ZINC000739395557	602865037	/nfs/dbraw/zinc/86/50/37/602865037.db2.gz	UZYHCROEAZXLLP-UHFFFAOYSA-N	-2	0	358.376	-0.412	20	0		FBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-]	ZINC000739395667	602866078	/nfs/dbraw/zinc/86/60/78/602866078.db2.gz	ZSNNQKBHBIAHII-UHFFFAOYSA-N	-2	0	358.376	-0.340	20	0		FBADRL
O=C([O-])c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)c(OC(F)F)c1	ZINC000739450358	600341410	/nfs/dbraw/zinc/34/14/10/600341410.db2.gz	MVTBCLJSTRFDFP-UHFFFAOYSA-N	-2	0	356.245	-0.246	20	0		FBADRL
O=C([O-])c1ccc(N2CCCC2)c(NC(=O)C(=O)NCc2nnn[n-]2)c1	ZINC000739451011	600341720	/nfs/dbraw/zinc/34/17/20/600341720.db2.gz	WMYFTGOEHSGHIC-UHFFFAOYSA-N	-2	0	359.346	-0.247	20	0		FBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CC1	ZINC000739454875	600242080	/nfs/dbraw/zinc/24/20/80/600242080.db2.gz	VTYJDXMPTGKFHC-UHFFFAOYSA-N	-2	0	353.360	-0.500	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-]	ZINC000739469345	603161493	/nfs/dbraw/zinc/16/14/93/603161493.db2.gz	OIFRMAUDTXVMFQ-SECBINFHSA-N	-2	0	365.408	-0.189	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-]	ZINC000739469346	603161425	/nfs/dbraw/zinc/16/14/25/603161425.db2.gz	OIFRMAUDTXVMFQ-VIFPVBQESA-N	-2	0	365.408	-0.189	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739469383	602963450	/nfs/dbraw/zinc/96/34/50/602963450.db2.gz	OXTISJYJMFSIPU-NXEZZACHSA-N	-2	0	363.392	-0.625	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739469385	602963265	/nfs/dbraw/zinc/96/32/65/602963265.db2.gz	OXTISJYJMFSIPU-UWVGGRQHSA-N	-2	0	363.392	-0.625	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739469387	602963248	/nfs/dbraw/zinc/96/32/48/602963248.db2.gz	OXTISJYJMFSIPU-VHSXEESVSA-N	-2	0	363.392	-0.625	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739469390	602963387	/nfs/dbraw/zinc/96/33/87/602963387.db2.gz	OXTISJYJMFSIPU-ZJUUUORDSA-N	-2	0	363.392	-0.625	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)[O-]	ZINC000739469523	603073479	/nfs/dbraw/zinc/07/34/79/603073479.db2.gz	QWRPGGZDHIIAKI-NXEZZACHSA-N	-2	0	363.392	-0.483	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000739469524	603073391	/nfs/dbraw/zinc/07/33/91/603073391.db2.gz	QWRPGGZDHIIAKI-UWVGGRQHSA-N	-2	0	363.392	-0.483	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000739469525	603073601	/nfs/dbraw/zinc/07/36/01/603073601.db2.gz	QWRPGGZDHIIAKI-VHSXEESVSA-N	-2	0	363.392	-0.483	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)[O-]	ZINC000739469526	603073324	/nfs/dbraw/zinc/07/33/24/603073324.db2.gz	QWRPGGZDHIIAKI-ZJUUUORDSA-N	-2	0	363.392	-0.483	20	0		FBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000739470006	597106489	/nfs/dbraw/zinc/10/64/89/597106489.db2.gz	VENCDMNGJFOGJM-MRVPVSSYSA-N	-2	0	354.406	-0.807	20	0		FBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000739470007	597106616	/nfs/dbraw/zinc/10/66/16/597106616.db2.gz	VENCDMNGJFOGJM-QMMMGPOBSA-N	-2	0	354.406	-0.807	20	0		FBADRL
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739545973	599728193	/nfs/dbraw/zinc/72/81/93/599728193.db2.gz	DADXYKHFPVPCLD-GHMZBOCLSA-N	-2	0	366.351	-0.551	20	0		FBADRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739545974	599728142	/nfs/dbraw/zinc/72/81/42/599728142.db2.gz	DADXYKHFPVPCLD-MNOVXSKESA-N	-2	0	366.351	-0.551	20	0		FBADRL
O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739545975	599728122	/nfs/dbraw/zinc/72/81/22/599728122.db2.gz	DADXYKHFPVPCLD-QWRGUYRKSA-N	-2	0	366.351	-0.551	20	0		FBADRL
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739545976	599728121	/nfs/dbraw/zinc/72/81/21/599728121.db2.gz	DADXYKHFPVPCLD-WDEREUQCSA-N	-2	0	366.351	-0.551	20	0		FBADRL
O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000739550246	600360516	/nfs/dbraw/zinc/36/05/16/600360516.db2.gz	XOJAFPKVHMHDSB-KBPBESRZSA-N	-2	0	367.427	-0.114	20	0		FBADRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000739550247	600360490	/nfs/dbraw/zinc/36/04/90/600360490.db2.gz	XOJAFPKVHMHDSB-KGLIPLIRSA-N	-2	0	367.427	-0.114	20	0		FBADRL
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000739550248	600360470	/nfs/dbraw/zinc/36/04/70/600360470.db2.gz	XOJAFPKVHMHDSB-UONOGXRCSA-N	-2	0	367.427	-0.114	20	0		FBADRL
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000739550249	600360311	/nfs/dbraw/zinc/36/03/11/600360311.db2.gz	XOJAFPKVHMHDSB-ZIAGYGMSSA-N	-2	0	367.427	-0.114	20	0		FBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000739597595	600163178	/nfs/dbraw/zinc/16/31/78/600163178.db2.gz	LCVIPZFNUMQWPK-JTQLQIEISA-N	-2	0	359.404	-0.845	20	0		FBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000739597596	600163081	/nfs/dbraw/zinc/16/30/81/600163081.db2.gz	LCVIPZFNUMQWPK-SNVBAGLBSA-N	-2	0	359.404	-0.845	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000739600727	597105294	/nfs/dbraw/zinc/10/52/94/597105294.db2.gz	ABVRXGKJHIMBAQ-UHFFFAOYSA-N	-2	0	361.401	-0.594	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739601186	602958907	/nfs/dbraw/zinc/95/89/07/602958907.db2.gz	COLMVZNLQIRMBJ-SECBINFHSA-N	-2	0	370.387	-0.412	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739601188	602959003	/nfs/dbraw/zinc/95/90/03/602959003.db2.gz	COLMVZNLQIRMBJ-VIFPVBQESA-N	-2	0	370.387	-0.412	20	0		FBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000739601256	602950122	/nfs/dbraw/zinc/95/01/22/602950122.db2.gz	DLDSBHOEAISKGC-UHFFFAOYSA-N	-2	0	373.387	-0.523	20	0		FBADRL
O=C([O-])[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc2O1	ZINC000739603816	599912053	/nfs/dbraw/zinc/91/20/53/599912053.db2.gz	LFYYLBIZONQOSR-GFCCVEGCSA-N	-2	0	355.310	-0.050	20	0		FBADRL
O=C([O-])[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2ccccc2O1	ZINC000739603820	599912233	/nfs/dbraw/zinc/91/22/33/599912233.db2.gz	LFYYLBIZONQOSR-LBPRGKRZSA-N	-2	0	355.310	-0.050	20	0		FBADRL
CN(CC(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000739625271	602622269	/nfs/dbraw/zinc/62/22/69/602622269.db2.gz	KIFXHLZKIWKSLL-UHFFFAOYSA-N	-2	0	369.355	-0.662	20	0		FBADRL
CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-]	ZINC000739625298	602622199	/nfs/dbraw/zinc/62/21/99/602622199.db2.gz	KYMMMJJEVYWGJB-UHFFFAOYSA-N	-2	0	354.348	-0.708	20	0		FBADRL
CN(CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC000739626280	602622297	/nfs/dbraw/zinc/62/22/97/602622297.db2.gz	XJSCMFLJVJKPNA-UHFFFAOYSA-N	-2	0	350.374	-0.495	20	0		FBADRL
O=C([O-])C[C@H]1C(=O)NCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000739635441	600024236	/nfs/dbraw/zinc/02/42/36/600024236.db2.gz	QUMDFRHMONBTRE-JTQLQIEISA-N	-2	0	352.372	-0.716	20	0		FBADRL
O=C([O-])C[C@@H]1C(=O)NCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000739635443	600024189	/nfs/dbraw/zinc/02/41/89/600024189.db2.gz	QUMDFRHMONBTRE-SNVBAGLBSA-N	-2	0	352.372	-0.716	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1	ZINC000739690739	600466062	/nfs/dbraw/zinc/46/60/62/600466062.db2.gz	AICBMOKANWTHAJ-UHFFFAOYSA-N	-2	0	357.388	-0.157	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000739690860	661793423	/nfs/dbraw/zinc/79/34/23/661793423.db2.gz	CEASLLBUIPFYBC-UHFFFAOYSA-N	-2	0	353.360	-0.484	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cn1nnc2ccccc2c1=O	ZINC000739691303	600462518	/nfs/dbraw/zinc/46/25/18/600462518.db2.gz	HFVSEZNWMDDFHX-UHFFFAOYSA-N	-2	0	354.344	-0.898	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000739691704	600466028	/nfs/dbraw/zinc/46/60/28/600466028.db2.gz	JRZLAOZTPGWHEG-GHMZBOCLSA-N	-2	0	374.415	-0.138	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000739691708	600465995	/nfs/dbraw/zinc/46/59/95/600465995.db2.gz	JRZLAOZTPGWHEG-PHIMTYICSA-N	-2	0	374.415	-0.138	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000739691838	600465971	/nfs/dbraw/zinc/46/59/71/600465971.db2.gz	JRZLAOZTPGWHEG-QWRGUYRKSA-N	-2	0	374.415	-0.138	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cn1cc(Br)cn1	ZINC000739691950	600465938	/nfs/dbraw/zinc/46/59/38/600465938.db2.gz	KVTGBPMETWNMCF-UHFFFAOYSA-N	-2	0	354.182	-0.044	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739691962	600461591	/nfs/dbraw/zinc/46/15/91/600461591.db2.gz	KZJYBVKXVXPCRA-UHFFFAOYSA-N	-2	0	368.367	-0.017	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1	ZINC000739692011	600473499	/nfs/dbraw/zinc/47/34/99/600473499.db2.gz	LMWWCBPQOYOZJQ-UHFFFAOYSA-N	-2	0	359.389	-0.219	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21	ZINC000739692021	600465959	/nfs/dbraw/zinc/46/59/59/600465959.db2.gz	LRUYLYFTYGGSFH-UHFFFAOYSA-N	-2	0	356.356	-0.277	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1	ZINC000739692037	600463487	/nfs/dbraw/zinc/46/34/87/600463487.db2.gz	LUJMVRATSVVCHR-UHFFFAOYSA-N	-2	0	360.363	-0.205	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O	ZINC000739692235	600461626	/nfs/dbraw/zinc/46/16/26/600461626.db2.gz	NAQANRYJYNMPCH-UHFFFAOYSA-N	-2	0	368.371	-0.508	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000739692439	600463044	/nfs/dbraw/zinc/46/30/44/600463044.db2.gz	PRWDYMRGUIMLLY-AOOOYVTPSA-N	-2	0	360.388	-0.528	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000739692440	600462828	/nfs/dbraw/zinc/46/28/28/600462828.db2.gz	PRWDYMRGUIMLLY-NXEZZACHSA-N	-2	0	360.388	-0.528	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000739692442	600463028	/nfs/dbraw/zinc/46/30/28/600463028.db2.gz	PRWDYMRGUIMLLY-UWVGGRQHSA-N	-2	0	360.388	-0.528	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21	ZINC000739692645	661793541	/nfs/dbraw/zinc/79/35/41/661793541.db2.gz	SYIVHWXKQPJZTH-UHFFFAOYSA-N	-2	0	353.356	-0.293	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000739693137	661793486	/nfs/dbraw/zinc/79/34/86/661793486.db2.gz	VZYUTPRMKNTNFO-UHFFFAOYSA-N	-2	0	361.376	-0.838	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000739695807	600462100	/nfs/dbraw/zinc/46/21/00/600462100.db2.gz	PSJDCYXEAZWAKJ-JTQLQIEISA-N	-2	0	358.372	-0.061	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000739695808	600462098	/nfs/dbraw/zinc/46/20/98/600462098.db2.gz	PSJDCYXEAZWAKJ-SNVBAGLBSA-N	-2	0	358.372	-0.061	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000739695829	600463833	/nfs/dbraw/zinc/46/38/33/600463833.db2.gz	QSIMDXIMNYMMKB-BQBZGAKWSA-N	-2	0	360.310	-0.246	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000739695837	600463847	/nfs/dbraw/zinc/46/38/47/600463847.db2.gz	QSIMDXIMNYMMKB-NKWVEPMBSA-N	-2	0	360.310	-0.246	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000739695839	600463834	/nfs/dbraw/zinc/46/38/34/600463834.db2.gz	QSIMDXIMNYMMKB-RNFRBKRXSA-N	-2	0	360.310	-0.246	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000739695840	600463791	/nfs/dbraw/zinc/46/37/91/600463791.db2.gz	QSIMDXIMNYMMKB-RQJHMYQMSA-N	-2	0	360.310	-0.246	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000739696057	600463739	/nfs/dbraw/zinc/46/37/39/600463739.db2.gz	YXNSIBMFSRWNRL-SSDOTTSWSA-N	-2	0	360.310	-0.292	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000739696059	600463686	/nfs/dbraw/zinc/46/36/86/600463686.db2.gz	YXNSIBMFSRWNRL-ZETCQYMHSA-N	-2	0	360.310	-0.292	20	0		FBADRL
O=C([O-])CCCc1nnc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)s1	ZINC000739702412	600539487	/nfs/dbraw/zinc/53/94/87/600539487.db2.gz	DCDFWTMRNJIOSR-UHFFFAOYSA-N	-2	0	363.359	-0.031	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000739755096	602960811	/nfs/dbraw/zinc/96/08/11/602960811.db2.gz	DGJFGZCDCLMRKR-JTQLQIEISA-N	-2	0	363.392	-0.768	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000739755097	602960938	/nfs/dbraw/zinc/96/09/38/602960938.db2.gz	DGJFGZCDCLMRKR-SNVBAGLBSA-N	-2	0	363.392	-0.768	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])CC1	ZINC000739755513	597106531	/nfs/dbraw/zinc/10/65/31/597106531.db2.gz	JSUPLPKOCJZEBR-UHFFFAOYSA-N	-2	0	354.406	-0.950	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-])CC1	ZINC000739755521	603160692	/nfs/dbraw/zinc/16/06/92/603160692.db2.gz	KBWCVVDYADDUKL-UHFFFAOYSA-N	-2	0	365.408	-0.331	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739763542	603171235	/nfs/dbraw/zinc/17/12/35/603171235.db2.gz	QFZGEYXTZKYIHQ-UHFFFAOYSA-N	-2	0	365.389	-0.077	20	0		FBADRL
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC3CN(C(=O)[O-])C3)cc2)[n-]1	ZINC000739769043	604951295	/nfs/dbraw/zinc/95/12/95/604951295.db2.gz	WHCFPERKQZVLCA-UHFFFAOYSA-N	-2	0	374.353	-0.027	20	0		FBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000739789184	602676665	/nfs/dbraw/zinc/67/66/65/602676665.db2.gz	SIJPJKMXNHJPMD-UHFFFAOYSA-N	-2	0	360.344	-0.438	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])s1	ZINC000739790592	602676649	/nfs/dbraw/zinc/67/66/49/602676649.db2.gz	BOYSWJZUBLKRTD-UHFFFAOYSA-N	-2	0	366.373	-0.376	20	0		FBADRL
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-]	ZINC000739794301	602675854	/nfs/dbraw/zinc/67/58/54/602675854.db2.gz	WYXPARCAGGIRMY-UHFFFAOYSA-N	-2	0	366.373	-0.376	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000739808303	600887381	/nfs/dbraw/zinc/88/73/81/600887381.db2.gz	FOTIZIAYBIZFRA-UHFFFAOYSA-N	-2	0	350.736	-0.483	20	0		FBADRL
O=C([O-])CNC(=O)c1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000739813733	600150580	/nfs/dbraw/zinc/15/05/80/600150580.db2.gz	QCUXIDUKLJNUFT-UHFFFAOYSA-N	-2	0	370.325	-0.476	20	0		FBADRL
O=C([O-])CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1	ZINC000739819997	600255847	/nfs/dbraw/zinc/25/58/47/600255847.db2.gz	OCMJOYPWIGYMBQ-UHFFFAOYSA-N	-2	0	360.373	-0.427	20	0		FBADRL
O=C([O-])CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC000739820141	600254748	/nfs/dbraw/zinc/25/47/48/600254748.db2.gz	ZWAKXLRFSRDVHJ-UHFFFAOYSA-N	-2	0	360.373	-0.427	20	0		FBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC000739820178	603171615	/nfs/dbraw/zinc/17/16/15/603171615.db2.gz	GPSFAHIVQXKIGB-UHFFFAOYSA-N	-2	0	365.389	-0.722	20	0		FBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC000739820338	603170344	/nfs/dbraw/zinc/17/03/44/603170344.db2.gz	LFMBRSASRHUFEG-UHFFFAOYSA-N	-2	0	374.371	-0.096	20	0		FBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000739820799	603169902	/nfs/dbraw/zinc/16/99/02/603169902.db2.gz	PMOHPNMGSVDVQK-UHFFFAOYSA-N	-2	0	374.371	-0.111	20	0		FBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-]	ZINC000739820946	603171671	/nfs/dbraw/zinc/17/16/71/603171671.db2.gz	RHQZWRDWTVPTJP-UHFFFAOYSA-N	-2	0	373.387	-0.475	20	0		FBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)[O-]	ZINC000739821318	603170719	/nfs/dbraw/zinc/17/07/19/603170719.db2.gz	URXHNCBSQAFYNW-UHFFFAOYSA-N	-2	0	354.772	-0.495	20	0		FBADRL
COCCN(CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1)C(=O)[O-]	ZINC000739826657	603108499	/nfs/dbraw/zinc/10/84/99/603108499.db2.gz	QHAPJDUNHHJYAX-UHFFFAOYSA-N	-2	0	353.382	-0.526	20	0		FBADRL
COCCS(=O)(=O)[N-]C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000739836534	602652318	/nfs/dbraw/zinc/65/23/18/602652318.db2.gz	GEYDNZSVDTUUBL-UHFFFAOYSA-N	-2	0	361.380	-0.701	20	0		FBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000739842163	600178856	/nfs/dbraw/zinc/17/88/56/600178856.db2.gz	AZWUQWGYDZDYQT-UHFFFAOYSA-N	-2	0	354.340	-0.520	20	0		FBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCO2	ZINC000739842194	600179956	/nfs/dbraw/zinc/17/99/56/600179956.db2.gz	BNKYAAUWJZQERX-UHFFFAOYSA-N	-2	0	357.340	-0.049	20	0		FBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000739842287	600179691	/nfs/dbraw/zinc/17/96/91/600179691.db2.gz	FVGRKLOJRRUIFL-UHFFFAOYSA-N	-2	0	351.340	-0.559	20	0		FBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)COc1ccc(N2CCCC2=O)cc1	ZINC000739842575	600178565	/nfs/dbraw/zinc/17/85/65/600178565.db2.gz	JLASOLKBFHZFQZ-UHFFFAOYSA-N	-2	0	356.356	-0.277	20	0		FBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000739842825	600179755	/nfs/dbraw/zinc/17/97/55/600179755.db2.gz	SJDCRDOGPLQLDU-UHFFFAOYSA-N	-2	0	362.385	-0.629	20	0		FBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000739842987	600179852	/nfs/dbraw/zinc/17/98/52/600179852.db2.gz	WLIZSPZOCBSSKN-UHFFFAOYSA-N	-2	0	362.385	-0.629	20	0		FBADRL
O=C([O-])CSCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000739848634	600377521	/nfs/dbraw/zinc/37/75/21/600377521.db2.gz	DJWMEFQLCYAZMG-UHFFFAOYSA-N	-2	0	372.424	-0.015	20	0		FBADRL
O=C([O-])CSCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739848656	599797600	/nfs/dbraw/zinc/79/76/00/599797600.db2.gz	DXCHICBUQAOCJT-UHFFFAOYSA-N	-2	0	371.400	-0.325	20	0		FBADRL
O=C([O-])CSCc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1	ZINC000739868953	600341441	/nfs/dbraw/zinc/34/14/41/600341441.db2.gz	VVFJHLNGHOTJBR-UHFFFAOYSA-N	-2	0	350.360	-0.228	20	0		FBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cn1	ZINC000739911590	600675637	/nfs/dbraw/zinc/67/56/37/600675637.db2.gz	DKOQJXYKTIMOOJ-UHFFFAOYSA-N	-2	0	354.344	-0.301	20	0		FBADRL
O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1	ZINC000739912178	600530198	/nfs/dbraw/zinc/53/01/98/600530198.db2.gz	ZUSZAYMLNKZPMH-UHFFFAOYSA-N	-2	0	350.312	-0.348	20	0		FBADRL
O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1	ZINC000739920879	600053976	/nfs/dbraw/zinc/05/39/76/600053976.db2.gz	RZMAJKJVTHZWHH-UHFFFAOYSA-N	-2	0	350.312	-0.348	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1OC	ZINC000739930712	602675845	/nfs/dbraw/zinc/67/58/45/602675845.db2.gz	ANYMCJXMOGAJNB-UHFFFAOYSA-N	-2	0	362.360	-0.207	20	0		FBADRL
COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000739930776	602675789	/nfs/dbraw/zinc/67/57/89/602675789.db2.gz	PAEXQSFIGVHJHJ-UHFFFAOYSA-N	-2	0	362.360	-0.207	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1	ZINC000739930803	603143728	/nfs/dbraw/zinc/14/37/28/603143728.db2.gz	BDRJLCKSBVVPRQ-UHFFFAOYSA-N	-2	0	371.371	-0.678	20	0		FBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000739932836	600360338	/nfs/dbraw/zinc/36/03/38/600360338.db2.gz	XXHSMJLTTCJQNP-UHFFFAOYSA-N	-2	0	356.404	-0.567	20	0		FBADRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739937691	599797439	/nfs/dbraw/zinc/79/74/39/599797439.db2.gz	GLZUQMLAIBHZTB-UHFFFAOYSA-N	-2	0	369.355	-0.614	20	0		FBADRL
O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739956156	599797601	/nfs/dbraw/zinc/79/76/01/599797601.db2.gz	BHUHHCHMXFMUAE-UHFFFAOYSA-N	-2	0	354.348	-0.485	20	0		FBADRL
O=C([O-])NCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000739956264	603005158	/nfs/dbraw/zinc/00/51/58/603005158.db2.gz	DXOZQFBYPFWDNE-UHFFFAOYSA-N	-2	0	355.372	-0.175	20	0		FBADRL
COc1cccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c1	ZINC000739957645	603145656	/nfs/dbraw/zinc/14/56/56/603145656.db2.gz	ZJLLPXQGLWDERH-UHFFFAOYSA-N	-2	0	371.371	-0.678	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CSCN2C(=O)[O-])s1	ZINC000739995177	602463274	/nfs/dbraw/zinc/46/32/74/602463274.db2.gz	JXLUPGQGVOSLCL-BYPYZUCNSA-N	-2	0	353.407	-0.099	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CSCN2C(=O)[O-])s1	ZINC000739995180	602463238	/nfs/dbraw/zinc/46/32/38/602463238.db2.gz	JXLUPGQGVOSLCL-SCSAIBSYSA-N	-2	0	353.407	-0.099	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2COCCN2C(=O)[O-])s1	ZINC000739996260	661794330	/nfs/dbraw/zinc/79/43/30/661794330.db2.gz	QOJLHEXIDDOKJG-RXMQYKEDSA-N	-2	0	351.366	-0.773	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2COCCN2C(=O)[O-])s1	ZINC000739996271	661794379	/nfs/dbraw/zinc/79/43/79/661794379.db2.gz	QOJLHEXIDDOKJG-YFKPBYRVSA-N	-2	0	351.366	-0.773	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1	ZINC000739997197	597105289	/nfs/dbraw/zinc/10/52/89/597105289.db2.gz	FFRAKNWLLZKQCK-UHFFFAOYSA-N	-2	0	367.426	-0.287	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1	ZINC000739999559	597108315	/nfs/dbraw/zinc/10/83/15/597108315.db2.gz	VJPIXWTXZCTDRR-UHFFFAOYSA-N	-2	0	367.426	-0.287	20	0		FBADRL
CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c(F)c1	ZINC000740001964	604412265	/nfs/dbraw/zinc/41/22/65/604412265.db2.gz	OBLKEPSIXSPMDG-UHFFFAOYSA-N	-2	0	367.380	-0.162	20	0		FBADRL
C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000740027952	603046577	/nfs/dbraw/zinc/04/65/77/603046577.db2.gz	YDTYLAMTQDQHND-LBPRGKRZSA-N	-2	0	370.431	-0.179	20	0		FBADRL
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c1	ZINC000740119719	603143649	/nfs/dbraw/zinc/14/36/49/603143649.db2.gz	RUZZKPICLYQRFQ-UHFFFAOYSA-N	-2	0	369.399	-0.069	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1C(N)=O	ZINC000740147228	602687023	/nfs/dbraw/zinc/68/70/23/602687023.db2.gz	KETXUUGRVCQKPK-UHFFFAOYSA-N	-2	0	359.360	-0.817	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)s1	ZINC000740147261	603143818	/nfs/dbraw/zinc/14/38/18/603143818.db2.gz	KUNAESLWXXQMGE-UHFFFAOYSA-N	-2	0	361.401	-0.316	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c(C)c1	ZINC000740147299	603143827	/nfs/dbraw/zinc/14/38/27/603143827.db2.gz	LNQRDLCXNPGUCS-UHFFFAOYSA-N	-2	0	369.399	-0.069	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CSCN2C(=O)[O-])cc1C(N)=O	ZINC000740147310	603151914	/nfs/dbraw/zinc/15/19/14/603151914.db2.gz	LYLYAJSSCYTQJX-JTQLQIEISA-N	-2	0	373.412	-0.048	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CSCN2C(=O)[O-])cc1C(N)=O	ZINC000740147312	603444772	/nfs/dbraw/zinc/44/47/72/603444772.db2.gz	LYLYAJSSCYTQJX-SNVBAGLBSA-N	-2	0	373.412	-0.048	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000740148017	602964619	/nfs/dbraw/zinc/96/46/19/602964619.db2.gz	QCMRQJSMUCYAMJ-SECBINFHSA-N	-2	0	355.372	-0.101	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000740148018	602964529	/nfs/dbraw/zinc/96/45/29/602964529.db2.gz	QCMRQJSMUCYAMJ-VIFPVBQESA-N	-2	0	355.372	-0.101	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1C	ZINC000740148461	603143816	/nfs/dbraw/zinc/14/38/16/603143816.db2.gz	SPSZOPZXMMHMPW-UHFFFAOYSA-N	-2	0	369.399	-0.069	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1	ZINC000740148523	603143785	/nfs/dbraw/zinc/14/37/85/603143785.db2.gz	UJNJLXYGAVJQRZ-UHFFFAOYSA-N	-2	0	355.372	-0.378	20	0		FBADRL
Cc1cccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c1	ZINC000740171759	603143779	/nfs/dbraw/zinc/14/37/79/603143779.db2.gz	CMNPDSUSJXXUHI-UHFFFAOYSA-N	-2	0	355.372	-0.378	20	0		FBADRL
Cc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000740191149	603143645	/nfs/dbraw/zinc/14/36/45/603143645.db2.gz	OAVAMGAUTCANRF-UHFFFAOYSA-N	-2	0	355.372	-0.378	20	0		FBADRL
Cc1ccnc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c1	ZINC000740195122	603146597	/nfs/dbraw/zinc/14/65/97/603146597.db2.gz	JWZIZGQCUVZNCN-UHFFFAOYSA-N	-2	0	356.360	-0.983	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-])cc1C(N)=O	ZINC000740289126	602926796	/nfs/dbraw/zinc/92/67/96/602926796.db2.gz	GDHYULJBWGUNMT-UHFFFAOYSA-N	-2	0	360.392	-0.245	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1	ZINC000740304487	597105979	/nfs/dbraw/zinc/10/59/79/597105979.db2.gz	MEEUBOODNURCLQ-UHFFFAOYSA-N	-2	0	371.400	-0.500	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740333534	602960932	/nfs/dbraw/zinc/96/09/32/602960932.db2.gz	QCFSPRXGMAATBV-JTQLQIEISA-N	-2	0	370.387	-0.340	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740333535	602961077	/nfs/dbraw/zinc/96/10/77/602961077.db2.gz	QCFSPRXGMAATBV-SNVBAGLBSA-N	-2	0	370.387	-0.340	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1	ZINC000740333945	597106715	/nfs/dbraw/zinc/10/67/15/597106715.db2.gz	VGUNIPKGQQFQET-UHFFFAOYSA-N	-2	0	361.401	-0.522	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CSCN2C(=O)[O-])s1	ZINC000740338006	603444362	/nfs/dbraw/zinc/44/43/62/603444362.db2.gz	YPHQJMKJPVEUMF-RXMQYKEDSA-N	-2	0	365.414	-0.295	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CSCN2C(=O)[O-])s1	ZINC000740338009	603152459	/nfs/dbraw/zinc/15/24/59/603152459.db2.gz	YPHQJMKJPVEUMF-YFKPBYRVSA-N	-2	0	365.414	-0.295	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C(=O)C1	ZINC000740366448	603101259	/nfs/dbraw/zinc/10/12/59/603101259.db2.gz	BKBWZMRSTOHQME-CYBMUJFWSA-N	-2	0	359.346	-0.773	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C(=O)C1	ZINC000740366452	603101854	/nfs/dbraw/zinc/10/18/54/603101854.db2.gz	BKBWZMRSTOHQME-ZDUSSCGKSA-N	-2	0	359.346	-0.773	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)C(=O)C1	ZINC000740367587	603144165	/nfs/dbraw/zinc/14/41/65/603144165.db2.gz	FDLKLMMJKMZWPA-UHFFFAOYSA-N	-2	0	355.372	-0.545	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)CCc2ccccc2)C(=O)C1	ZINC000740367971	603145631	/nfs/dbraw/zinc/14/56/31/603145631.db2.gz	GIGRHITWUXYYHS-UHFFFAOYSA-N	-2	0	369.399	-0.503	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)C(=O)C1	ZINC000740368026	603144400	/nfs/dbraw/zinc/14/44/00/603144400.db2.gz	HAZVMJXNYMJOCU-RMKNXTFCSA-N	-2	0	367.383	-0.075	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)C(=O)C1	ZINC000740368029	603144415	/nfs/dbraw/zinc/14/44/15/603144415.db2.gz	HAZVMJXNYMJOCU-TWGQIWQCSA-N	-2	0	367.383	-0.075	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2F)C(=O)C1	ZINC000740368127	603144424	/nfs/dbraw/zinc/14/44/24/603144424.db2.gz	IBVIPMKQADAXCJ-UHFFFAOYSA-N	-2	0	359.335	-0.547	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)C(=O)C1	ZINC000740369596	603144304	/nfs/dbraw/zinc/14/43/04/603144304.db2.gz	RPGMXBXJWKYSRG-UHFFFAOYSA-N	-2	0	359.335	-0.547	20	0		FBADRL
O=C(CN1CCN(C(=O)[O-])CC1=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000740369967	603145591	/nfs/dbraw/zinc/14/55/91/603145591.db2.gz	XMJDXFIBBGGKLD-UHFFFAOYSA-N	-2	0	361.420	-0.165	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C(=O)C1	ZINC000740370002	603000238	/nfs/dbraw/zinc/00/02/38/603000238.db2.gz	YJEYIKNSRBTVEB-UHFFFAOYSA-N	-2	0	361.314	-0.209	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)C(=O)C1	ZINC000740370013	603144207	/nfs/dbraw/zinc/14/42/07/603144207.db2.gz	YTPPNDNNYYPKAE-UHFFFAOYSA-N	-2	0	373.362	-0.406	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C(=O)C1	ZINC000740371009	603001742	/nfs/dbraw/zinc/00/17/42/603001742.db2.gz	IRDMGTJEQJMAIL-UHFFFAOYSA-N	-2	0	361.314	-0.209	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)OCC(=O)[N-]OCc2ccccc2)C(=O)C1	ZINC000740381338	603111620	/nfs/dbraw/zinc/11/16/20/603111620.db2.gz	FQLSTPIWSATMAJ-UHFFFAOYSA-N	-2	0	365.342	-0.400	20	0		FBADRL
O=C([O-])N1CCC(n2cc(C(=O)[N-]S(=O)(=O)N3CCCC3)nn2)CC1	ZINC000740455524	602213910	/nfs/dbraw/zinc/21/39/10/602213910.db2.gz	CZONCKJPFPUKQU-UHFFFAOYSA-N	-2	0	372.407	-0.337	20	0		FBADRL
O=C([O-])N1CCC(n2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)nn2)CC1	ZINC000740457067	602999397	/nfs/dbraw/zinc/99/93/97/602999397.db2.gz	MNGYKNJBZZYZHB-JTQLQIEISA-N	-2	0	373.391	-0.559	20	0		FBADRL
O=C([O-])N1CCC(n2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)nn2)CC1	ZINC000740457069	602999370	/nfs/dbraw/zinc/99/93/70/602999370.db2.gz	MNGYKNJBZZYZHB-SNVBAGLBSA-N	-2	0	373.391	-0.559	20	0		FBADRL
O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)C1	ZINC000740458323	602958416	/nfs/dbraw/zinc/95/84/16/602958416.db2.gz	VCDJKKDVKQLKEV-SECBINFHSA-N	-2	0	366.359	-0.533	20	0		FBADRL
O=C([O-])N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)C1	ZINC000740458325	602958573	/nfs/dbraw/zinc/95/85/73/602958573.db2.gz	VCDJKKDVKQLKEV-VIFPVBQESA-N	-2	0	366.359	-0.533	20	0		FBADRL
O=C([O-])[C@H]1CC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1	ZINC000740476018	597005237	/nfs/dbraw/zinc/00/52/37/597005237.db2.gz	FZHLIRHNYOSQIG-CHWSQXEVSA-N	-2	0	371.357	-0.181	20	0		FBADRL
O=C([O-])[C@H]1CC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1	ZINC000740476019	597005223	/nfs/dbraw/zinc/00/52/23/597005223.db2.gz	FZHLIRHNYOSQIG-OLZOCXBDSA-N	-2	0	371.357	-0.181	20	0		FBADRL
O=C([O-])[C@@H]1CC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)=NN1c1ccccc1	ZINC000740476020	597004876	/nfs/dbraw/zinc/00/48/76/597004876.db2.gz	FZHLIRHNYOSQIG-QWHCGFSZSA-N	-2	0	371.357	-0.181	20	0		FBADRL
O=C([O-])[C@@H]1CC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)=NN1c1ccccc1	ZINC000740476021	597005059	/nfs/dbraw/zinc/00/50/59/597005059.db2.gz	FZHLIRHNYOSQIG-STQMWFEESA-N	-2	0	371.357	-0.181	20	0		FBADRL
O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740486801	597107959	/nfs/dbraw/zinc/10/79/59/597107959.db2.gz	DWLNHYBRRVJBKK-UHFFFAOYSA-N	-2	0	358.397	-0.405	20	0		FBADRL
O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000740486876	597106064	/nfs/dbraw/zinc/10/60/64/597106064.db2.gz	NVRKBYKDJSLBTQ-UHFFFAOYSA-N	-2	0	357.373	-0.715	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)N1CCc2sccc2C1	ZINC000740664395	602676703	/nfs/dbraw/zinc/67/67/03/602676703.db2.gz	ABRMHSLLSAQLHH-UHFFFAOYSA-N	-2	0	363.417	-0.249	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740664514	603006222	/nfs/dbraw/zinc/00/62/22/603006222.db2.gz	CUWWODBSXDXFSI-UHFFFAOYSA-N	-2	0	371.371	-0.938	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000740664600	602676301	/nfs/dbraw/zinc/67/63/01/602676301.db2.gz	FUDNCMHLAAVNQZ-UHFFFAOYSA-N	-2	0	371.371	-0.340	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000740664794	602676699	/nfs/dbraw/zinc/67/66/99/602676699.db2.gz	JWFWADZLDMTKMS-UHFFFAOYSA-N	-2	0	357.388	-0.310	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000740664855	602676408	/nfs/dbraw/zinc/67/64/08/602676408.db2.gz	NHWYXFZJGRWZIF-UHFFFAOYSA-N	-2	0	360.344	-0.453	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000740665164	602676686	/nfs/dbraw/zinc/67/66/86/602676686.db2.gz	SRZBXLWHLFRYAW-UHFFFAOYSA-N	-2	0	351.768	-0.035	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000740665337	602676414	/nfs/dbraw/zinc/67/64/14/602676414.db2.gz	UYOWONAEWAPLDP-UHFFFAOYSA-N	-2	0	374.371	-0.063	20	0		FBADRL
O=C([O-])NCCOCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000740666736	602933870	/nfs/dbraw/zinc/93/38/70/602933870.db2.gz	XMLZQADRHNMQNQ-UHFFFAOYSA-N	-2	0	357.344	-0.164	20	0		FBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000740667528	602677010	/nfs/dbraw/zinc/67/70/10/602677010.db2.gz	IVJAUYFHZVUIPS-UHFFFAOYSA-N	-2	0	368.371	-0.039	20	0		FBADRL
O=C([O-])N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCc1nnn[n-]1	ZINC000740691213	602544911	/nfs/dbraw/zinc/54/49/11/602544911.db2.gz	KGSWOZZBUSZRII-ZDUSSCGKSA-N	-2	0	370.373	-0.060	20	0		FBADRL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000740716764	603146437	/nfs/dbraw/zinc/14/64/37/603146437.db2.gz	IWVBYQXBYAKIRD-PSASIEDQSA-N	-2	0	369.355	-0.335	20	0		FBADRL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000740716765	603146486	/nfs/dbraw/zinc/14/64/86/603146486.db2.gz	IWVBYQXBYAKIRD-SCZZXKLOSA-N	-2	0	369.355	-0.335	20	0		FBADRL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000740716766	603146423	/nfs/dbraw/zinc/14/64/23/603146423.db2.gz	IWVBYQXBYAKIRD-WCBMZHEXSA-N	-2	0	369.355	-0.335	20	0		FBADRL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000740716767	603146510	/nfs/dbraw/zinc/14/65/10/603146510.db2.gz	IWVBYQXBYAKIRD-WPRPVWTQSA-N	-2	0	369.355	-0.335	20	0		FBADRL
O=C([O-])N1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1	ZINC000740731085	602970811	/nfs/dbraw/zinc/97/08/11/602970811.db2.gz	BPYRLHVCCZPDJW-JTQLQIEISA-N	-2	0	367.383	-0.223	20	0		FBADRL
O=C([O-])N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1	ZINC000740731086	602970975	/nfs/dbraw/zinc/97/09/75/602970975.db2.gz	BPYRLHVCCZPDJW-SNVBAGLBSA-N	-2	0	367.383	-0.223	20	0		FBADRL
O=C([O-])N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740732978	603006263	/nfs/dbraw/zinc/00/62/63/603006263.db2.gz	QNKVRPBECUXHEO-GFCCVEGCSA-N	-2	0	367.383	-0.080	20	0		FBADRL
O=C([O-])N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740732979	603005871	/nfs/dbraw/zinc/00/58/71/603005871.db2.gz	QNKVRPBECUXHEO-LBPRGKRZSA-N	-2	0	367.383	-0.080	20	0		FBADRL
COC(=O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)C(=O)OC	ZINC000742518327	660569722	/nfs/dbraw/zinc/56/97/22/660569722.db2.gz	JSKVVBKSXHFAJV-WDSKDSINSA-N	-2	0	360.260	-0.388	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000743249509	660573258	/nfs/dbraw/zinc/57/32/58/660573258.db2.gz	FRSVVDDDBABGEF-UHFFFAOYSA-N	-2	0	350.736	-0.483	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000746352820	660590885	/nfs/dbraw/zinc/59/08/85/660590885.db2.gz	WSPFCHIKIYXGGP-UHFFFAOYSA-N	-2	0	368.726	-0.344	20	0		FBADRL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000747596596	660597892	/nfs/dbraw/zinc/59/78/92/660597892.db2.gz	PXPWDIXLRUAPOI-UHFFFAOYSA-N	-2	0	364.763	-0.174	20	0		FBADRL
NC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000748672667	660606137	/nfs/dbraw/zinc/60/61/37/660606137.db2.gz	AFPGHAKXCUPHKU-ZETCQYMHSA-N	-2	0	350.736	-0.355	20	0		FBADRL
NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000748674119	660606147	/nfs/dbraw/zinc/60/61/47/660606147.db2.gz	OKOWAXBKNOAGLX-QMMMGPOBSA-N	-2	0	350.736	-0.355	20	0		FBADRL
O=C([O-])CCC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000751207743	660628735	/nfs/dbraw/zinc/62/87/35/660628735.db2.gz	PYIALHYHYGDTJR-UHFFFAOYSA-N	-2	0	372.355	-0.787	20	0		FBADRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1Cl	ZINC000753769432	660650852	/nfs/dbraw/zinc/65/08/52/660650852.db2.gz	KGSWWVWRGIUIJR-UHFFFAOYSA-N	-2	0	364.763	-0.174	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000756929316	660675143	/nfs/dbraw/zinc/67/51/43/660675143.db2.gz	BPPSVQQTNJESRS-UHFFFAOYSA-N	-2	0	352.271	-0.858	20	0		FBADRL
Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc(C(=O)[O-])c1Cl	ZINC000759093559	660692153	/nfs/dbraw/zinc/69/21/53/660692153.db2.gz	DIXCCYNFRZTONP-UHFFFAOYSA-N	-2	0	364.763	-0.174	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759517120	660694674	/nfs/dbraw/zinc/69/46/74/660694674.db2.gz	TUZOQNLVLBGXTH-UHFFFAOYSA-N	-2	0	362.326	-0.157	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759583547	660695208	/nfs/dbraw/zinc/69/52/08/660695208.db2.gz	NXEUIMXTDIVOEL-UHFFFAOYSA-N	-2	0	364.342	-0.448	20	0		FBADRL
COC(=O)[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@H](C)C(=O)OC	ZINC000761096653	660707908	/nfs/dbraw/zinc/70/79/08/660707908.db2.gz	JSKVVBKSXHFAJV-PHDIDXHHSA-N	-2	0	360.260	-0.388	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000763278162	660716821	/nfs/dbraw/zinc/71/68/21/660716821.db2.gz	KAKJIJMWLUOGEU-UHFFFAOYSA-N	-2	0	368.726	-0.344	20	0		FBADRL
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000763417264	660718025	/nfs/dbraw/zinc/71/80/25/660718025.db2.gz	NVCMHLINLOFXKX-UHFFFAOYSA-N	-2	0	364.763	-0.174	20	0		FBADRL
Cc1ccc(-n2[n-]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2=O)cc1	ZINC000763451839	660718314	/nfs/dbraw/zinc/71/83/14/660718314.db2.gz	MGMDXOYOVHFXCQ-UHFFFAOYSA-N	-2	0	366.399	-0.330	20	0		FBADRL
CCn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[n-]c1=S	ZINC000766921312	660745095	/nfs/dbraw/zinc/74/50/95/660745095.db2.gz	FWHSHWMUDYANOQ-UHFFFAOYSA-N	-2	0	370.412	-0.750	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000767736087	660752222	/nfs/dbraw/zinc/75/22/22/660752222.db2.gz	OVBALUBVEBXVQC-UHFFFAOYSA-N	-2	0	368.726	-0.344	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000768497752	660756768	/nfs/dbraw/zinc/75/67/68/660756768.db2.gz	RXJKXPMWDOJQGH-UHFFFAOYSA-N	-2	0	350.736	-0.483	20	0		FBADRL
CC(C)(CCC(=O)OCc1n[nH]c(=O)[n-]1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774962295	660805905	/nfs/dbraw/zinc/80/59/05/660805905.db2.gz	MDRWOARORPXTFS-UHFFFAOYSA-N	-2	0	354.323	-0.073	20	0		FBADRL
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1	ZINC000776425656	660813640	/nfs/dbraw/zinc/81/36/40/660813640.db2.gz	DLULFAHMCSFSGG-UHFFFAOYSA-N	-2	0	374.400	-0.173	20	0		FBADRL
Cn1nc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-]	ZINC000776427733	660813736	/nfs/dbraw/zinc/81/37/36/660813736.db2.gz	RTXRCRJELYFCSK-UHFFFAOYSA-N	-2	0	360.373	-0.434	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000776437606	660814010	/nfs/dbraw/zinc/81/40/10/660814010.db2.gz	XPBSYXBRPGXGQU-JTQLQIEISA-N	-2	0	366.392	-0.155	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000776437607	660813906	/nfs/dbraw/zinc/81/39/06/660813906.db2.gz	XPBSYXBRPGXGQU-SNVBAGLBSA-N	-2	0	366.392	-0.155	20	0		FBADRL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000776442967	660814056	/nfs/dbraw/zinc/81/40/56/660814056.db2.gz	AVDMQCMGKCAGKZ-RXMQYKEDSA-N	-2	0	366.735	-0.272	20	0		FBADRL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000776442974	660814044	/nfs/dbraw/zinc/81/40/44/660814044.db2.gz	AVDMQCMGKCAGKZ-YFKPBYRVSA-N	-2	0	366.735	-0.272	20	0		FBADRL
NC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-]	ZINC000776443672	660814013	/nfs/dbraw/zinc/81/40/13/660814013.db2.gz	GYVVDXWFGQGDDA-REOHCLBHSA-N	-2	0	362.232	-0.011	20	0		FBADRL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-]	ZINC000776443673	660813863	/nfs/dbraw/zinc/81/38/63/660813863.db2.gz	GYVVDXWFGQGDDA-UWTATZPHSA-N	-2	0	362.232	-0.011	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000776444204	660814027	/nfs/dbraw/zinc/81/40/27/660814027.db2.gz	LCTFWHWSHVWIBL-LLVKDONJSA-N	-2	0	374.371	-0.240	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000776444206	660813945	/nfs/dbraw/zinc/81/39/45/660813945.db2.gz	LCTFWHWSHVWIBL-NSHDSACASA-N	-2	0	374.371	-0.240	20	0		FBADRL
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000776444208	660813911	/nfs/dbraw/zinc/81/39/11/660813911.db2.gz	LEKHFNVVOBPVJN-LURJTMIESA-N	-2	0	367.282	-0.042	20	0		FBADRL
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1F	ZINC000776444210	660814003	/nfs/dbraw/zinc/81/40/03/660814003.db2.gz	LEKHFNVVOBPVJN-ZCFIWIBFSA-N	-2	0	367.282	-0.042	20	0		FBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000776576042	601613200	/nfs/dbraw/zinc/61/32/00/601613200.db2.gz	UMZVLWSTCZTIET-SECBINFHSA-N	-2	0	354.344	-0.032	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000776576043	601613131	/nfs/dbraw/zinc/61/31/31/601613131.db2.gz	UMZVLWSTCZTIET-VIFPVBQESA-N	-2	0	354.344	-0.032	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000776636203	660816184	/nfs/dbraw/zinc/81/61/84/660816184.db2.gz	VJDPQPPZEQIRBB-SECBINFHSA-N	-2	0	366.392	-0.298	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000776636204	660816191	/nfs/dbraw/zinc/81/61/91/660816191.db2.gz	VJDPQPPZEQIRBB-VIFPVBQESA-N	-2	0	366.392	-0.298	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc(F)c1F	ZINC000776644511	660816574	/nfs/dbraw/zinc/81/65/74/660816574.db2.gz	AYTDQXGEUNISIK-UHFFFAOYSA-N	-2	0	367.282	-0.089	20	0		FBADRL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000776645279	660816582	/nfs/dbraw/zinc/81/65/82/660816582.db2.gz	LYTFQOMPUHRAQO-UHFFFAOYSA-N	-2	0	366.735	-0.319	20	0		FBADRL
COC(=O)c1c(F)ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1F	ZINC000776646206	660816458	/nfs/dbraw/zinc/81/64/58/660816458.db2.gz	WFTRZYVWRGVWDE-UHFFFAOYSA-N	-2	0	367.282	-0.089	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])CC1	ZINC000776646530	660816588	/nfs/dbraw/zinc/81/65/88/660816588.db2.gz	XSKHIFQNBIYKMU-UHFFFAOYSA-N	-2	0	352.365	-0.592	20	0		FBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)CCNC(=O)OCc1ccccc1	ZINC000776646564	660816427	/nfs/dbraw/zinc/81/64/27/660816427.db2.gz	YXIBESPAGGCTAR-UHFFFAOYSA-N	-2	0	374.371	-0.286	20	0		FBADRL
Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000776717265	660817283	/nfs/dbraw/zinc/81/72/83/660817283.db2.gz	JPIDIUCOIRKUGZ-BQBZGAKWSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000776717270	660817402	/nfs/dbraw/zinc/81/74/02/660817402.db2.gz	JPIDIUCOIRKUGZ-NKWVEPMBSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000776717272	660817364	/nfs/dbraw/zinc/81/73/64/660817364.db2.gz	JPIDIUCOIRKUGZ-RNFRBKRXSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1c(Cl)ncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000776717274	660817471	/nfs/dbraw/zinc/81/74/71/660817471.db2.gz	JPIDIUCOIRKUGZ-RQJHMYQMSA-N	-2	0	351.768	-0.131	20	0		FBADRL
Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1C(=O)[O-]	ZINC000779521503	660835105	/nfs/dbraw/zinc/83/51/05/660835105.db2.gz	MYJGHROSYMXYHQ-UHFFFAOYSA-N	-2	0	350.312	-0.197	20	0		FBADRL
O=C([N-]N1CCCC1=O)C(F)(F)C(F)(F)C(=O)[N-]N1CCCC1=O	ZINC000780701790	660841614	/nfs/dbraw/zinc/84/16/14/660841614.db2.gz	XLWRUOYUUOFFHD-UHFFFAOYSA-N	-2	0	354.260	-0.436	20	0		FBADRL
O=C([N-]N1CCCNC1=O)c1ccc(C(=O)[N-]N2CCCNC2=O)s1	ZINC000780970121	660842825	/nfs/dbraw/zinc/84/28/25/660842825.db2.gz	GOBXUHAAAQVFSA-UHFFFAOYSA-N	-2	0	366.403	-0.132	20	0		FBADRL
Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]N2CN=NC2=O)cn1	ZINC000782123786	660850026	/nfs/dbraw/zinc/85/00/26/660850026.db2.gz	GGAMNFOMFZXYEP-UHFFFAOYSA-N	-2	0	369.388	-0.037	20	0		FBADRL
Cc1cc(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C)c1CC(=O)[O-]	ZINC000782248475	660850596	/nfs/dbraw/zinc/85/05/96/660850596.db2.gz	CWLLNBALKWJVCB-UHFFFAOYSA-N	-2	0	372.399	-0.282	20	0		FBADRL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000783807695	660860751	/nfs/dbraw/zinc/86/07/51/660860751.db2.gz	XYFWPUPZBIJGNY-UHFFFAOYSA-N	-2	0	362.232	-0.139	20	0		FBADRL
CC(C)(CC(=O)OCc1n[nH]c(=O)[n-]1)CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000785307860	660869077	/nfs/dbraw/zinc/86/90/77/660869077.db2.gz	VEBUEJQLNOLKJQ-UHFFFAOYSA-N	-2	0	354.323	-0.073	20	0		FBADRL
Cn1nc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cc1C(=O)[O-]	ZINC000788129991	660551644	/nfs/dbraw/zinc/55/16/44/660551644.db2.gz	BMTVCGZZAADYBQ-UHFFFAOYSA-N	-2	0	360.373	-0.434	20	0		FBADRL
Cn1nc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1C(=O)[O-]	ZINC000788130166	660551584	/nfs/dbraw/zinc/55/15/84/660551584.db2.gz	DSNBQYKXCPWALE-UHFFFAOYSA-N	-2	0	360.373	-0.434	20	0		FBADRL
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1	ZINC000788133751	660551999	/nfs/dbraw/zinc/55/19/99/660551999.db2.gz	ZUNMDBNHLLMPRN-UHFFFAOYSA-N	-2	0	374.400	-0.173	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000788178336	660891142	/nfs/dbraw/zinc/89/11/42/660891142.db2.gz	VJGICXAISNPBBE-UHFFFAOYSA-N	-2	0	370.362	-0.087	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000788187095	660891442	/nfs/dbraw/zinc/89/14/42/660891442.db2.gz	MFJLFHPAIGPZBQ-QMMMGPOBSA-N	-2	0	354.310	-0.015	20	0		FBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	ZINC000788438911	660894679	/nfs/dbraw/zinc/89/46/79/660894679.db2.gz	HMALAEUYZZNSKS-SNVBAGLBSA-N	-2	0	366.392	-0.632	20	0		FBADRL
Cc1c(Cl)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000794866449	660936074	/nfs/dbraw/zinc/93/60/74/660936074.db2.gz	OIKLMRGRHZZNPD-UHFFFAOYSA-N	-2	0	364.763	-0.174	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)CSc1n[n-]c(=S)s1	ZINC000800549345	662276465	/nfs/dbraw/zinc/27/64/65/662276465.db2.gz	KDWLVHWNBKABAJ-UHFFFAOYSA-N	-2	0	356.476	-0.499	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000800550908	662276955	/nfs/dbraw/zinc/27/69/55/662276955.db2.gz	ISHVEVDFCYEDRY-UHFFFAOYSA-N	-2	0	370.362	-0.087	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000800553903	662277507	/nfs/dbraw/zinc/27/75/07/662277507.db2.gz	TXYIOXHXUHPZLF-UHFFFAOYSA-N	-2	0	352.372	-0.226	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000801613243	662310084	/nfs/dbraw/zinc/31/00/84/662310084.db2.gz	NAADGAKOWOVSQZ-YFKPBYRVSA-N	-2	0	357.314	-0.150	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000803181125	662340513	/nfs/dbraw/zinc/34/05/13/662340513.db2.gz	BSZDNRPKIHTETN-UHFFFAOYSA-N	-2	0	370.362	-0.087	20	0		FBADRL
COC(=O)c1c(C)n[n-]c1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808553375	660990989	/nfs/dbraw/zinc/99/09/89/660990989.db2.gz	JKBXOSNOSUZDOS-UHFFFAOYSA-N	-2	0	368.297	-0.125	20	0		FBADRL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808553439	660990848	/nfs/dbraw/zinc/99/08/48/660990848.db2.gz	AOMZIWRTPYMGLG-UHFFFAOYSA-N	-2	0	368.297	-0.044	20	0		FBADRL
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000809034411	660994331	/nfs/dbraw/zinc/99/43/31/660994331.db2.gz	CYWSOWWZMGLOJN-UHFFFAOYSA-N	-2	0	356.326	-0.009	20	0		FBADRL
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000810831923	661003969	/nfs/dbraw/zinc/00/39/69/661003969.db2.gz	DJEPCAPRMJUHQV-UHFFFAOYSA-N	-2	0	358.298	-0.173	20	0		FBADRL
Cc1c(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cnn1C	ZINC000813952341	661021917	/nfs/dbraw/zinc/02/19/17/661021917.db2.gz	HBSINADUSSUOAA-UHFFFAOYSA-N	-2	0	356.326	-0.009	20	0		FBADRL
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000813986240	661022516	/nfs/dbraw/zinc/02/25/16/661022516.db2.gz	FJDRIEKWNUWHBX-UHFFFAOYSA-N	-2	0	356.326	-0.009	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000815899894	661031498	/nfs/dbraw/zinc/03/14/98/661031498.db2.gz	GXVREKRQYBQVSZ-QMMMGPOBSA-N	-2	0	356.326	-0.072	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000815963414	661032519	/nfs/dbraw/zinc/03/25/19/661032519.db2.gz	ZNDGHKKJHQWJRW-QMMMGPOBSA-N	-2	0	361.342	-0.617	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000815978690	661032453	/nfs/dbraw/zinc/03/24/53/661032453.db2.gz	AVTONCYHJKDJAR-QMMMGPOBSA-N	-2	0	363.358	-0.371	20	0		FBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000816015724	661033003	/nfs/dbraw/zinc/03/30/03/661033003.db2.gz	TUIZTOMAAPRHHI-BQBZGAKWSA-N	-2	0	362.326	-0.303	20	0		FBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000816015725	661033119	/nfs/dbraw/zinc/03/31/19/661033119.db2.gz	TUIZTOMAAPRHHI-RQJHMYQMSA-N	-2	0	362.326	-0.303	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000816021681	661033271	/nfs/dbraw/zinc/03/32/71/661033271.db2.gz	WMPGWOSEIJNYTG-QMMMGPOBSA-N	-2	0	356.326	-0.072	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000816034750	661033315	/nfs/dbraw/zinc/03/33/15/661033315.db2.gz	OSMFGLHEQIUNEG-ZETCQYMHSA-N	-2	0	357.314	-0.677	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000816492348	661036433	/nfs/dbraw/zinc/03/64/33/661036433.db2.gz	PYPYEUPHNCSJES-QMMMGPOBSA-N	-2	0	364.328	-0.287	20	0		FBADRL
Cc1oc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc1S(=O)(=O)N1CCCC1	ZINC000816732495	661038534	/nfs/dbraw/zinc/03/85/34/661038534.db2.gz	KABGEOREMTUQJQ-UHFFFAOYSA-N	-2	0	357.348	-0.241	20	0		FBADRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000816733711	661038514	/nfs/dbraw/zinc/03/85/14/661038514.db2.gz	IMQXHQZAOMRKEW-UHFFFAOYSA-N	-2	0	359.389	-0.081	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000819257747	661067291	/nfs/dbraw/zinc/06/72/91/661067291.db2.gz	XPFUXBNNJQOEGA-FNODVLLQSA-N	-2	0	351.388	-0.084	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000819257754	661067279	/nfs/dbraw/zinc/06/72/79/661067279.db2.gz	XPFUXBNNJQOEGA-MCFWBGNESA-N	-2	0	351.388	-0.084	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000819257757	661067254	/nfs/dbraw/zinc/06/72/54/661067254.db2.gz	XPFUXBNNJQOEGA-OIRASMEMSA-N	-2	0	351.388	-0.084	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000819257760	661067199	/nfs/dbraw/zinc/06/71/99/661067199.db2.gz	XPFUXBNNJQOEGA-YYUOZPCZSA-N	-2	0	351.388	-0.084	20	0		FBADRL
O=C([O-])C1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000819292502	601272153	/nfs/dbraw/zinc/27/21/53/601272153.db2.gz	PRURPCXQRPMVSX-UHFFFAOYSA-N	-2	0	354.344	-0.079	20	0		FBADRL
O=C([O-])CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc2c(c1)OCO2	ZINC000819507704	597484577	/nfs/dbraw/zinc/48/45/77/597484577.db2.gz	WVOJNIHJHYEPFI-UHFFFAOYSA-N	-2	0	371.309	-0.082	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1	ZINC000819510136	661067784	/nfs/dbraw/zinc/06/77/84/661067784.db2.gz	RHNBVVCVIPUPSN-JOCHJYFZSA-N	-2	0	362.429	-0.615	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1	ZINC000819510137	661067902	/nfs/dbraw/zinc/06/79/02/661067902.db2.gz	RHNBVVCVIPUPSN-QFIPXVFZSA-N	-2	0	362.429	-0.615	20	0		FBADRL
CC(=O)NCCN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@@H](C)C(=O)[O-]	ZINC000819770206	597676609	/nfs/dbraw/zinc/67/66/09/597676609.db2.gz	KFQBWGGNYKRKOM-JTQLQIEISA-N	-2	0	368.415	-0.080	20	0		FBADRL
CC(=O)NCCN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H](C)C(=O)[O-]	ZINC000819770207	597676485	/nfs/dbraw/zinc/67/64/85/597676485.db2.gz	KFQBWGGNYKRKOM-SNVBAGLBSA-N	-2	0	368.415	-0.080	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])s1	ZINC000819796826	597438594	/nfs/dbraw/zinc/43/85/94/597438594.db2.gz	LCHNUYDEYXYTSM-UHFFFAOYSA-N	-2	0	354.391	-0.881	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1	ZINC000820124044	661073480	/nfs/dbraw/zinc/07/34/80/661073480.db2.gz	MBKAETVLUOWCGL-JOCHJYFZSA-N	-2	0	362.429	-0.504	20	0		FBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)N2CCOCC2)c1	ZINC000820124045	661073660	/nfs/dbraw/zinc/07/36/60/661073660.db2.gz	MBKAETVLUOWCGL-QFIPXVFZSA-N	-2	0	362.429	-0.504	20	0		FBADRL
CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])nc1	ZINC000820374744	597461275	/nfs/dbraw/zinc/46/12/75/597461275.db2.gz	XAKZJHCJUFCGEN-UHFFFAOYSA-N	-2	0	362.385	-0.119	20	0		FBADRL
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)OCC(=O)NCC(=O)[O-]	ZINC000820927824	597840110	/nfs/dbraw/zinc/84/01/10/597840110.db2.gz	OIHFEBKRZILQCO-UHFFFAOYSA-N	-2	0	361.314	-0.766	20	0		FBADRL
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1	ZINC000821090012	661080811	/nfs/dbraw/zinc/08/08/11/661080811.db2.gz	PKMUGSWGJIRBTL-UHFFFAOYSA-N	-2	0	354.410	-0.859	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)cc1C(N)=O	ZINC000821297628	598160145	/nfs/dbraw/zinc/16/01/45/598160145.db2.gz	DGCCIYNOHZQWQM-UHFFFAOYSA-N	-2	0	351.340	-0.059	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1C(N)=O	ZINC000821298595	598148475	/nfs/dbraw/zinc/14/84/75/598148475.db2.gz	VJPRJACDOGYYMW-UHFFFAOYSA-N	-2	0	351.340	-0.059	20	0		FBADRL
O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000821546482	598202051	/nfs/dbraw/zinc/20/20/51/598202051.db2.gz	ULLHSBUYVJREMG-LLVKDONJSA-N	-2	0	356.356	-0.261	20	0		FBADRL
O=C([O-])c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000821546485	598202032	/nfs/dbraw/zinc/20/20/32/598202032.db2.gz	ULLHSBUYVJREMG-NSHDSACASA-N	-2	0	356.356	-0.261	20	0		FBADRL
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n1	ZINC000822623507	606711723	/nfs/dbraw/zinc/71/17/23/606711723.db2.gz	YFCPHNJZPCPPJW-UHFFFAOYSA-N	-2	0	365.331	-0.195	20	0		FBADRL
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000822623516	606712079	/nfs/dbraw/zinc/71/20/79/606712079.db2.gz	YTKUMARRFVGLKV-UHFFFAOYSA-N	-2	0	352.336	-0.562	20	0		FBADRL
O=C(COc1ccccc1-c1nn[nH]n1)[N-]S(=O)(=O)Cc1ccon1	ZINC000823049540	661093931	/nfs/dbraw/zinc/09/39/31/661093931.db2.gz	GFOZKXZJKFHXAQ-UHFFFAOYSA-N	-2	0	364.343	-0.120	20	0		FBADRL
O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000823135944	607213755	/nfs/dbraw/zinc/21/37/55/607213755.db2.gz	BKFVIYSTRWXYRC-UHFFFAOYSA-N	-2	0	354.290	-0.560	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[nH]n1)C(=O)[O-]	ZINC000823387284	606179077	/nfs/dbraw/zinc/17/90/77/606179077.db2.gz	HMRWIDCZQDFBLC-VIFPVBQESA-N	-2	0	355.332	-0.786	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)Cc1ccccc1-c1nn[nH]n1)C(=O)[O-]	ZINC000823387611	606179164	/nfs/dbraw/zinc/17/91/64/606179164.db2.gz	QNCHICQQSBHLBU-JTQLQIEISA-N	-2	0	369.359	-0.396	20	0		FBADRL
O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-]	ZINC000823387614	607206950	/nfs/dbraw/zinc/20/69/50/607206950.db2.gz	QSJCXGIYNNFREP-VIFPVBQESA-N	-2	0	355.332	-0.786	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[O-]	ZINC000823387647	607207070	/nfs/dbraw/zinc/20/70/70/607207070.db2.gz	SFXZFILKWDJBTH-JTQLQIEISA-N	-2	0	369.359	-0.396	20	0		FBADRL
CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCCC1	ZINC000823567578	605266320	/nfs/dbraw/zinc/26/63/20/605266320.db2.gz	INJVVKYZXFLDRH-NEPJUHHUSA-N	-2	0	361.420	-0.120	20	0		FBADRL
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C1CCCC1	ZINC000823567579	605266217	/nfs/dbraw/zinc/26/62/17/605266217.db2.gz	INJVVKYZXFLDRH-NWDGAFQWSA-N	-2	0	361.420	-0.120	20	0		FBADRL
CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C1CCCC1	ZINC000823567663	605266136	/nfs/dbraw/zinc/26/61/36/605266136.db2.gz	INJVVKYZXFLDRH-RYUDHWBXSA-N	-2	0	361.420	-0.120	20	0		FBADRL
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCCC1	ZINC000823567665	605266151	/nfs/dbraw/zinc/26/61/51/605266151.db2.gz	INJVVKYZXFLDRH-VXGBXAGGSA-N	-2	0	361.420	-0.120	20	0		FBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)s1	ZINC000823584688	604648978	/nfs/dbraw/zinc/64/89/78/604648978.db2.gz	DHXUWSYKKGJPJD-UHFFFAOYSA-N	-2	0	361.401	-0.011	20	0		FBADRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000823611157	604382438	/nfs/dbraw/zinc/38/24/38/604382438.db2.gz	MSALZZMXAVJCKL-GFCCVEGCSA-N	-2	0	371.371	-0.171	20	0		FBADRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000823611161	604382591	/nfs/dbraw/zinc/38/25/91/604382591.db2.gz	MSALZZMXAVJCKL-LBPRGKRZSA-N	-2	0	371.371	-0.171	20	0		FBADRL
CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cs1	ZINC000823623666	605266184	/nfs/dbraw/zinc/26/61/84/605266184.db2.gz	RLDCUEPBFQTEGL-SSDOTTSWSA-N	-2	0	362.389	-0.087	20	0		FBADRL
CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cs1	ZINC000823623667	605266302	/nfs/dbraw/zinc/26/63/02/605266302.db2.gz	RLDCUEPBFQTEGL-ZETCQYMHSA-N	-2	0	362.389	-0.087	20	0		FBADRL
CC(C)(C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCN(C(=O)[O-])CC1	ZINC000823737664	603771116	/nfs/dbraw/zinc/77/11/16/603771116.db2.gz	JHNXQUZHJYXSOP-JTQLQIEISA-N	-2	0	353.383	-0.826	20	0		FBADRL
CC(C)(C(=O)N1CCO[C@@H](c2nnn[n-]2)C1)N1CCN(C(=O)[O-])CC1	ZINC000823737666	603771453	/nfs/dbraw/zinc/77/14/53/603771453.db2.gz	JHNXQUZHJYXSOP-SNVBAGLBSA-N	-2	0	353.383	-0.826	20	0		FBADRL
CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000823773347	605275794	/nfs/dbraw/zinc/27/57/94/605275794.db2.gz	RZSKFKZLFDSHIS-NXEZZACHSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000823773348	605275518	/nfs/dbraw/zinc/27/55/18/605275518.db2.gz	RZSKFKZLFDSHIS-UWVGGRQHSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000823773349	605275764	/nfs/dbraw/zinc/27/57/64/605275764.db2.gz	RZSKFKZLFDSHIS-VHSXEESVSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000823773350	605275690	/nfs/dbraw/zinc/27/56/90/605275690.db2.gz	RZSKFKZLFDSHIS-ZJUUUORDSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000823964748	603783101	/nfs/dbraw/zinc/78/31/01/603783101.db2.gz	LIYIXKUSFZYPSY-UHFFFAOYSA-N	-2	0	368.375	-0.239	20	0		FBADRL
CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000823964765	603785533	/nfs/dbraw/zinc/78/55/33/603785533.db2.gz	MFQOFGUFWYLFPT-UHFFFAOYSA-N	-2	0	372.403	-0.046	20	0		FBADRL
CC(C)(CNC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000823997565	603731940	/nfs/dbraw/zinc/73/19/40/603731940.db2.gz	QJSSDUXURSZAJV-UHFFFAOYSA-N	-2	0	357.348	-0.240	20	0		FBADRL
CC(C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NC(=O)[O-]	ZINC000824011566	603731908	/nfs/dbraw/zinc/73/19/08/603731908.db2.gz	TXFBEEIJTMSPCG-UHFFFAOYSA-N	-2	0	357.348	-0.240	20	0		FBADRL
CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824044192	605278671	/nfs/dbraw/zinc/27/86/71/605278671.db2.gz	PYLQDDVRXWRWHR-GHMZBOCLSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824044193	605278536	/nfs/dbraw/zinc/27/85/36/605278536.db2.gz	PYLQDDVRXWRWHR-MNOVXSKESA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000824044194	605278732	/nfs/dbraw/zinc/27/87/32/605278732.db2.gz	PYLQDDVRXWRWHR-QWRGUYRKSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000824044195	605278555	/nfs/dbraw/zinc/27/85/55/605278555.db2.gz	PYLQDDVRXWRWHR-WDEREUQCSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)N1CCCC1=O	ZINC000824058082	605284169	/nfs/dbraw/zinc/28/41/69/605284169.db2.gz	VXHMTSDHYGYZNL-CMPLNLGQSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)N1CCCC1=O	ZINC000824058083	605284080	/nfs/dbraw/zinc/28/40/80/605284080.db2.gz	VXHMTSDHYGYZNL-JQWIXIFHSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)N1CCCC1=O	ZINC000824058084	605284184	/nfs/dbraw/zinc/28/41/84/605284184.db2.gz	VXHMTSDHYGYZNL-PWSUYJOCSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)N1CCCC1=O	ZINC000824058085	605284129	/nfs/dbraw/zinc/28/41/29/605284129.db2.gz	VXHMTSDHYGYZNL-ZYHUDNBSSA-N	-2	0	361.420	-0.168	20	0		FBADRL
CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000824257377	605275867	/nfs/dbraw/zinc/27/58/67/605275867.db2.gz	QBONYKGXEUEGJF-GHMZBOCLSA-N	-2	0	361.420	-0.311	20	0		FBADRL
CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000824257379	605275872	/nfs/dbraw/zinc/27/58/72/605275872.db2.gz	QBONYKGXEUEGJF-MNOVXSKESA-N	-2	0	361.420	-0.311	20	0		FBADRL
CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000824257381	605275664	/nfs/dbraw/zinc/27/56/64/605275664.db2.gz	QBONYKGXEUEGJF-QWRGUYRKSA-N	-2	0	361.420	-0.311	20	0		FBADRL
CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000824257383	605275602	/nfs/dbraw/zinc/27/56/02/605275602.db2.gz	QBONYKGXEUEGJF-WDEREUQCSA-N	-2	0	361.420	-0.311	20	0		FBADRL
C[C@@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NC(=O)[O-]	ZINC000824804025	603729161	/nfs/dbraw/zinc/72/91/61/603729161.db2.gz	VZRFWZCEXRSUHO-LURJTMIESA-N	-2	0	357.348	-0.240	20	0		FBADRL
C[C@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)NC(=O)[O-]	ZINC000824804026	603729196	/nfs/dbraw/zinc/72/91/96/603729196.db2.gz	VZRFWZCEXRSUHO-ZCFIWIBFSA-N	-2	0	357.348	-0.240	20	0		FBADRL
C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000824868015	661101641	/nfs/dbraw/zinc/10/16/41/661101641.db2.gz	HHLFAAAKAWWNJE-SECBINFHSA-N	-2	0	368.375	-0.287	20	0		FBADRL
C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000824868016	661101698	/nfs/dbraw/zinc/10/16/98/661101698.db2.gz	HHLFAAAKAWWNJE-VIFPVBQESA-N	-2	0	368.375	-0.287	20	0		FBADRL
C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000824868043	604251453	/nfs/dbraw/zinc/25/14/53/604251453.db2.gz	HPXBQEBXBKZLJH-SECBINFHSA-N	-2	0	372.403	-0.166	20	0		FBADRL
C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000824868045	604251584	/nfs/dbraw/zinc/25/15/84/604251584.db2.gz	HPXBQEBXBKZLJH-VIFPVBQESA-N	-2	0	372.403	-0.166	20	0		FBADRL
C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000824869012	604254348	/nfs/dbraw/zinc/25/43/48/604254348.db2.gz	SXMRPVUPQKEFCA-SECBINFHSA-N	-2	0	372.403	-0.094	20	0		FBADRL
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CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](CC)NC(=O)[O-]	ZINC000827300497	605236142	/nfs/dbraw/zinc/23/61/42/605236142.db2.gz	VUISEXCIOQKIHO-IUCAKERBSA-N	-2	0	351.381	-0.579	20	0		FBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000827303467	602179223	/nfs/dbraw/zinc/17/92/23/602179223.db2.gz	FSCJIZFPJDKJJT-SECBINFHSA-N	-2	0	368.367	-0.161	20	0		FBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000827303469	602179150	/nfs/dbraw/zinc/17/91/50/602179150.db2.gz	FSCJIZFPJDKJJT-VIFPVBQESA-N	-2	0	368.367	-0.161	20	0		FBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1	ZINC000827304343	602184748	/nfs/dbraw/zinc/18/47/48/602184748.db2.gz	RYVJHBKWLRKXNQ-MRVPVSSYSA-N	-2	0	353.360	-0.207	20	0		FBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1	ZINC000827304346	602184604	/nfs/dbraw/zinc/18/46/04/602184604.db2.gz	RYVJHBKWLRKXNQ-QMMMGPOBSA-N	-2	0	353.360	-0.207	20	0		FBADRL
CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000827326903	605283394	/nfs/dbraw/zinc/28/33/94/605283394.db2.gz	HFDOCPCLKRISGC-NXEZZACHSA-N	-2	0	365.408	-0.045	20	0		FBADRL
CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000827326911	605283272	/nfs/dbraw/zinc/28/32/72/605283272.db2.gz	HFDOCPCLKRISGC-UWVGGRQHSA-N	-2	0	365.408	-0.045	20	0		FBADRL
CCOC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000827326912	605283402	/nfs/dbraw/zinc/28/34/02/605283402.db2.gz	HFDOCPCLKRISGC-VHSXEESVSA-N	-2	0	365.408	-0.045	20	0		FBADRL
CCOC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000827326914	605283413	/nfs/dbraw/zinc/28/34/13/605283413.db2.gz	HFDOCPCLKRISGC-ZJUUUORDSA-N	-2	0	365.408	-0.045	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000827524333	605247685	/nfs/dbraw/zinc/24/76/85/605247685.db2.gz	GLQBQOPOAHAWQS-JTQLQIEISA-N	-2	0	364.401	-0.059	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1	ZINC000827524561	605226021	/nfs/dbraw/zinc/22/60/21/605226021.db2.gz	MQRYMRWXUYOAFU-VIFPVBQESA-N	-2	0	351.381	-0.721	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000827524600	661119823	/nfs/dbraw/zinc/11/98/23/661119823.db2.gz	OAJLKRZDZKVHHV-JTQLQIEISA-N	-2	0	358.376	-0.294	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1	ZINC000827524756	605193235	/nfs/dbraw/zinc/19/32/35/605193235.db2.gz	QPIYYGPNQQSZEY-JTQLQIEISA-N	-2	0	368.375	-0.272	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000827524916	605247677	/nfs/dbraw/zinc/24/76/77/605247677.db2.gz	SWVIZOULKGAQQM-NSHDSACASA-N	-2	0	355.372	-0.176	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000827525163	605171731	/nfs/dbraw/zinc/17/17/31/605171731.db2.gz	ZCSXMNZDCUSBGU-JTQLQIEISA-N	-2	0	354.348	-0.487	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000827531702	605193803	/nfs/dbraw/zinc/19/38/03/605193803.db2.gz	MXZUISWHNHOWQK-JTQLQIEISA-N	-2	0	364.401	-0.059	20	0		FBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000827531948	605172844	/nfs/dbraw/zinc/17/28/44/605172844.db2.gz	OWHRIACBRYUGAS-VIFPVBQESA-N	-2	0	358.376	-0.366	20	0		FBADRL
CCn1cnc(S(=O)(=O)[N-]c2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)c1	ZINC000827705831	603631376	/nfs/dbraw/zinc/63/13/76/603631376.db2.gz	FAGCFVZBLPPIIW-UHFFFAOYSA-N	-2	0	370.395	-0.378	20	0		FBADRL
CCn1cc(S(=O)(=O)[N-]c2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)cn1	ZINC000827706572	603631388	/nfs/dbraw/zinc/63/13/88/603631388.db2.gz	KDJSLFRPISKHDU-UHFFFAOYSA-N	-2	0	370.395	-0.378	20	0		FBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cn1	ZINC000827707593	604209620	/nfs/dbraw/zinc/20/96/20/604209620.db2.gz	UPVSOGIZJIGUJD-JTQLQIEISA-N	-2	0	360.392	-0.133	20	0		FBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cn1	ZINC000827707594	604209210	/nfs/dbraw/zinc/20/92/10/604209210.db2.gz	UPVSOGIZJIGUJD-SNVBAGLBSA-N	-2	0	360.392	-0.133	20	0		FBADRL
C[C@](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)(C(=O)[O-])C1CC1	ZINC000827761068	601516082	/nfs/dbraw/zinc/51/60/82/601516082.db2.gz	SLTFTSVILCVABX-CYBMUJFWSA-N	-2	0	354.344	-0.032	20	0		FBADRL
C[C@@](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)(C(=O)[O-])C1CC1	ZINC000827761069	601516142	/nfs/dbraw/zinc/51/61/42/601516142.db2.gz	SLTFTSVILCVABX-ZDUSSCGKSA-N	-2	0	354.344	-0.032	20	0		FBADRL
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000827895032	603731922	/nfs/dbraw/zinc/73/19/22/603731922.db2.gz	LQWYHUUIXKCKCV-SSDOTTSWSA-N	-2	0	369.359	-0.191	20	0		FBADRL
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000827895033	603731698	/nfs/dbraw/zinc/73/16/98/603731698.db2.gz	LQWYHUUIXKCKCV-ZETCQYMHSA-N	-2	0	369.359	-0.191	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C1(NC(=O)[O-])CC1	ZINC000827988677	604640537	/nfs/dbraw/zinc/64/05/37/604640537.db2.gz	KLBHWYLNGCYQKP-UHFFFAOYSA-N	-2	0	356.360	-0.612	20	0		FBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)c1	ZINC000827988747	604657830	/nfs/dbraw/zinc/65/78/30/604657830.db2.gz	LEKUXHYREIDCET-UHFFFAOYSA-N	-2	0	355.372	-0.007	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-]	ZINC000827989001	603784173	/nfs/dbraw/zinc/78/41/73/603784173.db2.gz	PCAWQPLCVVVIPW-UHFFFAOYSA-N	-2	0	372.403	-0.118	20	0		FBADRL
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000828085371	603731647	/nfs/dbraw/zinc/73/16/47/603731647.db2.gz	BUHPYVMVAUJSHG-SSDOTTSWSA-N	-2	0	369.359	-0.191	20	0		FBADRL
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000828085372	603731683	/nfs/dbraw/zinc/73/16/83/603731683.db2.gz	BUHPYVMVAUJSHG-ZETCQYMHSA-N	-2	0	369.359	-0.191	20	0		FBADRL
CN(CCCNC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000828302611	603731877	/nfs/dbraw/zinc/73/18/77/603731877.db2.gz	RELGTIDTBRINPI-UHFFFAOYSA-N	-2	0	357.348	-0.286	20	0		FBADRL
CN(CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000828305235	603730397	/nfs/dbraw/zinc/73/03/97/603730397.db2.gz	GNWDQKJBIDUBDP-UHFFFAOYSA-N	-2	0	357.348	-0.286	20	0		FBADRL
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000828383129	604384231	/nfs/dbraw/zinc/38/42/31/604384231.db2.gz	SIAOKHGHUZVKAO-GFCCVEGCSA-N	-2	0	357.388	-0.142	20	0		FBADRL
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828383130	604384195	/nfs/dbraw/zinc/38/41/95/604384195.db2.gz	SIAOKHGHUZVKAO-LBPRGKRZSA-N	-2	0	357.388	-0.142	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1C(=O)[O-]	ZINC000828485087	601588768	/nfs/dbraw/zinc/58/87/68/601588768.db2.gz	CRJAGYMUBDFCKG-HZGVNTEJSA-N	-2	0	354.344	-0.223	20	0		FBADRL
C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H]1C(=O)[O-]	ZINC000828485088	601588673	/nfs/dbraw/zinc/58/86/73/601588673.db2.gz	CRJAGYMUBDFCKG-IMTBSYHQSA-N	-2	0	354.344	-0.223	20	0		FBADRL
C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1C(=O)[O-]	ZINC000828485090	601588713	/nfs/dbraw/zinc/58/87/13/601588713.db2.gz	CRJAGYMUBDFCKG-MUWHJKNJSA-N	-2	0	354.344	-0.223	20	0		FBADRL
C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1C(=O)[O-]	ZINC000828485092	601588775	/nfs/dbraw/zinc/58/87/75/601588775.db2.gz	CRJAGYMUBDFCKG-RCOVLWMOSA-N	-2	0	354.344	-0.223	20	0		FBADRL
CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@H](CNC(=O)[O-])C1	ZINC000828513681	604397999	/nfs/dbraw/zinc/39/79/99/604397999.db2.gz	OLTIUKQAWYYXPP-SECBINFHSA-N	-2	0	362.346	-0.540	20	0		FBADRL
CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](CNC(=O)[O-])C1	ZINC000828513685	604397882	/nfs/dbraw/zinc/39/78/82/604397882.db2.gz	OLTIUKQAWYYXPP-VIFPVBQESA-N	-2	0	362.346	-0.540	20	0		FBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000828556555	605281185	/nfs/dbraw/zinc/28/11/85/605281185.db2.gz	HIONDYGYZUPZGQ-SECBINFHSA-N	-2	0	356.360	-0.747	20	0		FBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000828556556	605281196	/nfs/dbraw/zinc/28/11/96/605281196.db2.gz	HIONDYGYZUPZGQ-VIFPVBQESA-N	-2	0	356.360	-0.747	20	0		FBADRL
CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000828558802	604816862	/nfs/dbraw/zinc/81/68/62/604816862.db2.gz	ZGPLDTFPDUARCK-LLVKDONJSA-N	-2	0	361.420	-0.598	20	0		FBADRL
CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000828558803	604816825	/nfs/dbraw/zinc/81/68/25/604816825.db2.gz	ZGPLDTFPDUARCK-NSHDSACASA-N	-2	0	361.420	-0.598	20	0		FBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000828566665	605268029	/nfs/dbraw/zinc/26/80/29/605268029.db2.gz	LDVDNDTUACOHKQ-LLVKDONJSA-N	-2	0	355.372	-0.142	20	0		FBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000828566666	605268035	/nfs/dbraw/zinc/26/80/35/605268035.db2.gz	LDVDNDTUACOHKQ-NSHDSACASA-N	-2	0	355.372	-0.142	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)CN(C)C(=O)[O-])CC1	ZINC000828641501	604254741	/nfs/dbraw/zinc/25/47/41/604254741.db2.gz	QDZULQNOFSGZIW-SECBINFHSA-N	-2	0	365.408	-0.522	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1	ZINC000828641504	604254836	/nfs/dbraw/zinc/25/48/36/604254836.db2.gz	QDZULQNOFSGZIW-VIFPVBQESA-N	-2	0	365.408	-0.522	20	0		FBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-])CC1	ZINC000828642648	603784103	/nfs/dbraw/zinc/78/41/03/603784103.db2.gz	WFFLMIATIZVHJH-UHFFFAOYSA-N	-2	0	365.408	-0.474	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828670129	605420923	/nfs/dbraw/zinc/42/09/23/605420923.db2.gz	BVPZKOFHQQPMHF-SECBINFHSA-N	-2	0	368.433	-0.129	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828670130	605421123	/nfs/dbraw/zinc/42/11/23/605421123.db2.gz	BVPZKOFHQQPMHF-VIFPVBQESA-N	-2	0	368.433	-0.129	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828670838	605081064	/nfs/dbraw/zinc/08/10/64/605081064.db2.gz	KXOBCTDEFYENCD-SECBINFHSA-N	-2	0	352.365	-0.846	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000828670840	605080743	/nfs/dbraw/zinc/08/07/43/605080743.db2.gz	KXOBCTDEFYENCD-VIFPVBQESA-N	-2	0	352.365	-0.846	20	0		FBADRL
COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828687563	605276534	/nfs/dbraw/zinc/27/65/34/605276534.db2.gz	BAVHFYGHJBWQMI-MRVPVSSYSA-N	-2	0	354.406	-0.519	20	0		FBADRL
COC(=O)CSCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828687564	605276315	/nfs/dbraw/zinc/27/63/15/605276315.db2.gz	BAVHFYGHJBWQMI-QMMMGPOBSA-N	-2	0	354.406	-0.519	20	0		FBADRL
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828699721	661128866	/nfs/dbraw/zinc/12/88/66/661128866.db2.gz	KATNVFGYSNRHOV-SECBINFHSA-N	-2	0	351.381	-0.337	20	0		FBADRL
COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828699723	661128900	/nfs/dbraw/zinc/12/89/00/661128900.db2.gz	KATNVFGYSNRHOV-VIFPVBQESA-N	-2	0	351.381	-0.337	20	0		FBADRL
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000828714268	605280225	/nfs/dbraw/zinc/28/02/25/605280225.db2.gz	RKIRBFXIJNXHBR-BDAKNGLRSA-N	-2	0	351.381	-0.435	20	0		FBADRL
COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000828714270	605280156	/nfs/dbraw/zinc/28/01/56/605280156.db2.gz	RKIRBFXIJNXHBR-DTWKUNHWSA-N	-2	0	351.381	-0.435	20	0		FBADRL
COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000828714272	605280181	/nfs/dbraw/zinc/28/01/81/605280181.db2.gz	RKIRBFXIJNXHBR-IUCAKERBSA-N	-2	0	351.381	-0.435	20	0		FBADRL
COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)C	ZINC000828714275	605280228	/nfs/dbraw/zinc/28/02/28/605280228.db2.gz	RKIRBFXIJNXHBR-RKDXNWHRSA-N	-2	0	351.381	-0.435	20	0		FBADRL
COC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828714343	605280242	/nfs/dbraw/zinc/28/02/42/605280242.db2.gz	RYVAUTJXPGFVNI-NXEZZACHSA-N	-2	0	365.408	-0.045	20	0		FBADRL
COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828714345	605280279	/nfs/dbraw/zinc/28/02/79/605280279.db2.gz	RYVAUTJXPGFVNI-UWVGGRQHSA-N	-2	0	365.408	-0.045	20	0		FBADRL
COC(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828714347	605280300	/nfs/dbraw/zinc/28/03/00/605280300.db2.gz	RYVAUTJXPGFVNI-VHSXEESVSA-N	-2	0	365.408	-0.045	20	0		FBADRL
COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828714350	605280192	/nfs/dbraw/zinc/28/01/92/605280192.db2.gz	RYVAUTJXPGFVNI-ZJUUUORDSA-N	-2	0	365.408	-0.045	20	0		FBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000828800048	605068872	/nfs/dbraw/zinc/06/88/72/605068872.db2.gz	UQQSQZUAFRCULV-LLVKDONJSA-N	-2	0	372.355	-0.343	20	0		FBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000828800051	605069056	/nfs/dbraw/zinc/06/90/56/605069056.db2.gz	UQQSQZUAFRCULV-NSHDSACASA-N	-2	0	372.355	-0.343	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000828963804	603789582	/nfs/dbraw/zinc/78/95/82/603789582.db2.gz	DHVAZCSUEHRJOM-JTQLQIEISA-N	-2	0	353.397	-0.915	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000828963805	603789675	/nfs/dbraw/zinc/78/96/75/603789675.db2.gz	DHVAZCSUEHRJOM-SNVBAGLBSA-N	-2	0	353.397	-0.915	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828963836	603789650	/nfs/dbraw/zinc/78/96/50/603789650.db2.gz	FCCXBYGYCHSBRJ-GFCCVEGCSA-N	-2	0	359.404	-0.196	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828963837	605953697	/nfs/dbraw/zinc/95/36/97/605953697.db2.gz	FCCXBYGYCHSBRJ-LBPRGKRZSA-N	-2	0	359.404	-0.196	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828964114	605424160	/nfs/dbraw/zinc/42/41/60/605424160.db2.gz	LMWVHCNWPFJIGC-SECBINFHSA-N	-2	0	355.438	-0.589	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828964115	605424221	/nfs/dbraw/zinc/42/42/21/605424221.db2.gz	LMWVHCNWPFJIGC-VIFPVBQESA-N	-2	0	355.438	-0.589	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000828964475	603790118	/nfs/dbraw/zinc/79/01/18/603790118.db2.gz	WHZLVEFWSXBOFC-GFCCVEGCSA-N	-2	0	359.404	-0.023	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000828964476	603790245	/nfs/dbraw/zinc/79/02/45/603790245.db2.gz	WHZLVEFWSXBOFC-LBPRGKRZSA-N	-2	0	359.404	-0.023	20	0		FBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1csc(CNC(=O)[O-])n1	ZINC000828970716	603790415	/nfs/dbraw/zinc/79/04/15/603790415.db2.gz	DJGMMXHGIJBOJX-UHFFFAOYSA-N	-2	0	352.394	-0.537	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000829002687	605426159	/nfs/dbraw/zinc/42/61/59/605426159.db2.gz	XJXIBBWGEBSNKE-JTQLQIEISA-N	-2	0	370.449	-0.419	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000829002689	605426524	/nfs/dbraw/zinc/42/65/24/605426524.db2.gz	XJXIBBWGEBSNKE-SNVBAGLBSA-N	-2	0	370.449	-0.419	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000829002890	605384832	/nfs/dbraw/zinc/38/48/32/605384832.db2.gz	ZGUPMMWURVAPMM-GHMZBOCLSA-N	-2	0	352.409	-0.078	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000829002901	605384052	/nfs/dbraw/zinc/38/40/52/605384052.db2.gz	ZGUPMMWURVAPMM-MNOVXSKESA-N	-2	0	352.409	-0.078	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000829002903	605383968	/nfs/dbraw/zinc/38/39/68/605383968.db2.gz	ZGUPMMWURVAPMM-QWRGUYRKSA-N	-2	0	352.409	-0.078	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000829002904	605384178	/nfs/dbraw/zinc/38/41/78/605384178.db2.gz	ZGUPMMWURVAPMM-WDEREUQCSA-N	-2	0	352.409	-0.078	20	0		FBADRL
COCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)ccc1=O	ZINC000829029904	661131077	/nfs/dbraw/zinc/13/10/77/661131077.db2.gz	FTKXFYBIIRCZDG-LLVKDONJSA-N	-2	0	373.387	-0.693	20	0		FBADRL
COCCn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)ccc1=O	ZINC000829029905	661130935	/nfs/dbraw/zinc/13/09/35/661130935.db2.gz	FTKXFYBIIRCZDG-NSHDSACASA-N	-2	0	373.387	-0.693	20	0		FBADRL
COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829499940	604383365	/nfs/dbraw/zinc/38/33/65/604383365.db2.gz	DLILXQZPBWNJQN-LLVKDONJSA-N	-2	0	374.371	-0.113	20	0		FBADRL
COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829499944	604383066	/nfs/dbraw/zinc/38/30/66/604383066.db2.gz	DLILXQZPBWNJQN-NSHDSACASA-N	-2	0	374.371	-0.113	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1OC	ZINC000829506925	604383205	/nfs/dbraw/zinc/38/32/05/604383205.db2.gz	IRTWOEXKXGIMIU-GFCCVEGCSA-N	-2	0	374.371	-0.113	20	0		FBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1OC	ZINC000829506927	604383076	/nfs/dbraw/zinc/38/30/76/604383076.db2.gz	IRTWOEXKXGIMIU-LBPRGKRZSA-N	-2	0	374.371	-0.113	20	0		FBADRL
CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000829507602	600943544	/nfs/dbraw/zinc/94/35/44/600943544.db2.gz	AZVKRBVVFDWCMD-UHFFFAOYSA-N	-2	0	363.436	-0.160	20	0		FBADRL
CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000829648279	601598526	/nfs/dbraw/zinc/59/85/26/601598526.db2.gz	IXYUYNYRKYDKAT-UHFFFAOYSA-N	-2	0	363.436	-0.207	20	0		FBADRL
COc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000829649336	603472221	/nfs/dbraw/zinc/47/22/21/603472221.db2.gz	IRTKPDROKPKQRB-UHFFFAOYSA-N	-2	0	371.371	-0.678	20	0		FBADRL
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000829669849	605278659	/nfs/dbraw/zinc/27/86/59/605278659.db2.gz	QZBYQXCPZHINIH-SECBINFHSA-N	-2	0	368.433	-0.600	20	0		FBADRL
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000829669853	605279338	/nfs/dbraw/zinc/27/93/38/605279338.db2.gz	QZBYQXCPZHINIH-VIFPVBQESA-N	-2	0	368.433	-0.600	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)COC2CN(C(=O)[O-])C2)s1	ZINC000829691279	603765408	/nfs/dbraw/zinc/76/54/08/603765408.db2.gz	AMBNBHZZKBFINR-UHFFFAOYSA-N	-2	0	351.366	-0.773	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)s1	ZINC000829691367	604740330	/nfs/dbraw/zinc/74/03/30/604740330.db2.gz	DTLVGVVQKBZPQL-RXMQYKEDSA-N	-2	0	351.366	-0.773	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)s1	ZINC000829691368	604740665	/nfs/dbraw/zinc/74/06/65/604740665.db2.gz	DTLVGVVQKBZPQL-YFKPBYRVSA-N	-2	0	351.366	-0.773	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)s1	ZINC000829691613	604740498	/nfs/dbraw/zinc/74/04/98/604740498.db2.gz	NASULRBEOOQXQM-LURJTMIESA-N	-2	0	365.393	-0.383	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)s1	ZINC000829691614	604740652	/nfs/dbraw/zinc/74/06/52/604740652.db2.gz	NASULRBEOOQXQM-ZCFIWIBFSA-N	-2	0	365.393	-0.383	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)s1	ZINC000829691643	603850280	/nfs/dbraw/zinc/85/02/80/603850280.db2.gz	NYRBJJUCMNQSRN-SECBINFHSA-N	-2	0	353.357	-0.060	20	0		FBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)s1	ZINC000829691644	603850605	/nfs/dbraw/zinc/85/06/05/603850605.db2.gz	NYRBJJUCMNQSRN-VIFPVBQESA-N	-2	0	353.357	-0.060	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000829696427	604657966	/nfs/dbraw/zinc/65/79/66/604657966.db2.gz	YGCRYYXNBGGZQK-UHFFFAOYSA-N	-2	0	362.385	-0.305	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)c1	ZINC000829699176	604643485	/nfs/dbraw/zinc/64/34/85/604643485.db2.gz	ILUNIEBERFHMKH-UHFFFAOYSA-N	-2	0	362.385	-0.305	20	0		FBADRL
CCN=c1nc2[n-]nc(SCC(=O)N[C@H](C)C(=O)[O-])n2c(NCC)n1	ZINC000829812992	602248809	/nfs/dbraw/zinc/24/88/09/602248809.db2.gz	DCTSENGFXGTUHR-SSDOTTSWSA-N	-2	0	368.423	-0.514	20	0		FBADRL
Cc1c(C(=O)NCc2n[nH]c(=O)[n-]2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000829853907	603953108	/nfs/dbraw/zinc/95/31/08/603953108.db2.gz	DCMHGWNJJGCZEG-UHFFFAOYSA-N	-2	0	350.339	-0.345	20	0		FBADRL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1	ZINC000829873446	600986206	/nfs/dbraw/zinc/98/62/06/600986206.db2.gz	QODCOHDGASTOQL-UHFFFAOYSA-N	-2	0	358.336	-0.628	20	0		FBADRL
CCOC(=O)c1nnc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)s1	ZINC000829895145	602153900	/nfs/dbraw/zinc/15/39/00/602153900.db2.gz	GXNHTTXJKYMGGL-UHFFFAOYSA-N	-2	0	361.361	-0.203	20	0		FBADRL
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000829984252	604496007	/nfs/dbraw/zinc/49/60/07/604496007.db2.gz	JBBLWVPMBSQOKM-SECBINFHSA-N	-2	0	372.359	-0.454	20	0		FBADRL
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000829984256	604496024	/nfs/dbraw/zinc/49/60/24/604496024.db2.gz	JBBLWVPMBSQOKM-VIFPVBQESA-N	-2	0	372.359	-0.454	20	0		FBADRL
Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c1	ZINC000830062561	603926410	/nfs/dbraw/zinc/92/64/10/603926410.db2.gz	WEUQKLXCFOZSRT-UHFFFAOYSA-N	-2	0	373.362	-0.239	20	0		FBADRL
CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1	ZINC000830140333	600986201	/nfs/dbraw/zinc/98/62/01/600986201.db2.gz	MCVNGNBVTOGHII-UHFFFAOYSA-N	-2	0	374.400	-0.043	20	0		FBADRL
CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1	ZINC000830146657	602101113	/nfs/dbraw/zinc/10/11/13/602101113.db2.gz	YKKYEIXXFUTWOK-UHFFFAOYSA-N	-2	0	374.400	-0.043	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCN(C(=O)[O-])CC2=O)c(F)c1	ZINC000830414021	603517858	/nfs/dbraw/zinc/51/78/58/603517858.db2.gz	FZFWOJGAHZUKNE-UHFFFAOYSA-N	-2	0	373.362	-0.239	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000830414832	604157732	/nfs/dbraw/zinc/15/77/32/604157732.db2.gz	NSIWWWJXESZKOS-AWEZNQCLSA-N	-2	0	373.362	-0.009	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000830414840	604157828	/nfs/dbraw/zinc/15/78/28/604157828.db2.gz	NSIWWWJXESZKOS-CQSZACIVSA-N	-2	0	373.362	-0.009	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1C(N)=O	ZINC000830415096	605077654	/nfs/dbraw/zinc/07/76/54/605077654.db2.gz	OXLRKNYRXMWZQN-LLVKDONJSA-N	-2	0	371.371	-0.722	20	0		FBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1C(N)=O	ZINC000830415097	605077136	/nfs/dbraw/zinc/07/71/36/605077136.db2.gz	OXLRKNYRXMWZQN-NSHDSACASA-N	-2	0	371.371	-0.722	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000830556379	600829511	/nfs/dbraw/zinc/82/95/11/600829511.db2.gz	CSEBHRYFYBODBG-UHFFFAOYSA-N	-2	0	356.364	-0.796	20	0		FBADRL
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1	ZINC000830556613	601839885	/nfs/dbraw/zinc/83/98/85/601839885.db2.gz	FLIVWENZYXXNBO-UHFFFAOYSA-N	-2	0	359.389	-0.073	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1	ZINC000830556929	600983656	/nfs/dbraw/zinc/98/36/56/600983656.db2.gz	LBPYRXUPMSSTQA-UHFFFAOYSA-N	-2	0	359.389	-0.073	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000830556977	600983557	/nfs/dbraw/zinc/98/35/57/600983557.db2.gz	NREOCYFTTWNEDJ-UHFFFAOYSA-N	-2	0	359.389	-0.073	20	0		FBADRL
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1	ZINC000830557218	601839959	/nfs/dbraw/zinc/83/99/59/601839959.db2.gz	QHLFQVPCWUZYSU-UHFFFAOYSA-N	-2	0	359.389	-0.073	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC000830557230	600983626	/nfs/dbraw/zinc/98/36/26/600983626.db2.gz	RBQQMNFNYUQJSU-UHFFFAOYSA-N	-2	0	353.360	-0.135	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1	ZINC000830557232	600983725	/nfs/dbraw/zinc/98/37/25/600983725.db2.gz	RHDAPXSWLBDPSB-UHFFFAOYSA-N	-2	0	359.389	-0.073	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1	ZINC000830557320	600983645	/nfs/dbraw/zinc/98/36/45/600983645.db2.gz	UXLVVDUTKWDCIH-UHFFFAOYSA-N	-2	0	353.360	-0.135	20	0		FBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000830557563	600983573	/nfs/dbraw/zinc/98/35/73/600983573.db2.gz	WZOUWQSDQQNWHL-UHFFFAOYSA-N	-2	0	367.387	-0.206	20	0		FBADRL
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)[C@@H]3CCN(C(=O)[O-])C3)c2n1	ZINC000830607452	605279115	/nfs/dbraw/zinc/27/91/15/605279115.db2.gz	QTSJUHCFMMOCII-SECBINFHSA-N	-2	0	353.360	-0.150	20	0		FBADRL
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)[C@H]3CCN(C(=O)[O-])C3)c2n1	ZINC000830607453	605279229	/nfs/dbraw/zinc/27/92/29/605279229.db2.gz	QTSJUHCFMMOCII-VIFPVBQESA-N	-2	0	353.360	-0.150	20	0		FBADRL
Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830655309	605283701	/nfs/dbraw/zinc/28/37/01/605283701.db2.gz	NKSZYLZJKQNSCY-SECBINFHSA-N	-2	0	363.417	-0.193	20	0		FBADRL
Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000830655310	605283653	/nfs/dbraw/zinc/28/36/53/605283653.db2.gz	NKSZYLZJKQNSCY-VIFPVBQESA-N	-2	0	363.417	-0.193	20	0		FBADRL
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c(=O)[nH]1	ZINC000830716480	605278072	/nfs/dbraw/zinc/27/80/72/605278072.db2.gz	SOVMUOLRSGRXHV-SECBINFHSA-N	-2	0	358.376	-0.460	20	0		FBADRL
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c(=O)[nH]1	ZINC000830716481	605277951	/nfs/dbraw/zinc/27/79/51/605277951.db2.gz	SOVMUOLRSGRXHV-VIFPVBQESA-N	-2	0	358.376	-0.460	20	0		FBADRL
CN(CCC(=O)[O-])S(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000830752222	601383769	/nfs/dbraw/zinc/38/37/69/601383769.db2.gz	UOFNTTWTVHKSLF-UHFFFAOYSA-N	-2	0	359.360	-0.436	20	0		FBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000830855086	604383794	/nfs/dbraw/zinc/38/37/94/604383794.db2.gz	FRMRRIXGBRVZOU-JTQLQIEISA-N	-2	0	360.392	-0.389	20	0		FBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000830855087	604383688	/nfs/dbraw/zinc/38/36/88/604383688.db2.gz	FRMRRIXGBRVZOU-SNVBAGLBSA-N	-2	0	360.392	-0.389	20	0		FBADRL
Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000830856698	605280656	/nfs/dbraw/zinc/28/06/56/605280656.db2.gz	OYJJRYPIDZJEJH-JTQLQIEISA-N	-2	0	360.392	-0.386	20	0		FBADRL
Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830856700	605280570	/nfs/dbraw/zinc/28/05/70/605280570.db2.gz	OYJJRYPIDZJEJH-SNVBAGLBSA-N	-2	0	360.392	-0.386	20	0		FBADRL
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830876350	605267020	/nfs/dbraw/zinc/26/70/20/605267020.db2.gz	ZNEIBJWOUPNMCA-SECBINFHSA-N	-2	0	353.360	-0.150	20	0		FBADRL
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000830876352	605267062	/nfs/dbraw/zinc/26/70/62/605267062.db2.gz	ZNEIBJWOUPNMCA-VIFPVBQESA-N	-2	0	353.360	-0.150	20	0		FBADRL
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCN(C(=O)[O-])C3)cn12	ZINC000830894186	605279138	/nfs/dbraw/zinc/27/91/38/605279138.db2.gz	QQAXYKPHQDSNDN-JTQLQIEISA-N	-2	0	353.360	-0.150	20	0		FBADRL
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCN(C(=O)[O-])C3)cn12	ZINC000830894187	605279099	/nfs/dbraw/zinc/27/90/99/605279099.db2.gz	QQAXYKPHQDSNDN-SNVBAGLBSA-N	-2	0	353.360	-0.150	20	0		FBADRL
CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC000830904957	601394379	/nfs/dbraw/zinc/39/43/79/601394379.db2.gz	ABIRJNNMYVIMLN-CLAHSXSESA-N	-2	0	371.371	-0.023	20	0		FBADRL
CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC000830904964	601394275	/nfs/dbraw/zinc/39/42/75/601394275.db2.gz	ABIRJNNMYVIMLN-RMLUDKJBSA-N	-2	0	371.371	-0.023	20	0		FBADRL
CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC000830904965	601394448	/nfs/dbraw/zinc/39/44/48/601394448.db2.gz	ABIRJNNMYVIMLN-RTHLEPHNSA-N	-2	0	371.371	-0.023	20	0		FBADRL
CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC000830904966	601394524	/nfs/dbraw/zinc/39/45/24/601394524.db2.gz	ABIRJNNMYVIMLN-XLKFXECMSA-N	-2	0	371.371	-0.023	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cc2C1=O	ZINC000830906589	600986342	/nfs/dbraw/zinc/98/63/42/600986342.db2.gz	JACZEWGNGAMKKV-UHFFFAOYSA-N	-2	0	365.327	-0.611	20	0		FBADRL
Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1C	ZINC000830953051	605279043	/nfs/dbraw/zinc/27/90/43/605279043.db2.gz	PNTREAWKTRNERO-SECBINFHSA-N	-2	0	363.417	-0.275	20	0		FBADRL
Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1C	ZINC000830953052	605279048	/nfs/dbraw/zinc/27/90/48/605279048.db2.gz	PNTREAWKTRNERO-VIFPVBQESA-N	-2	0	363.417	-0.275	20	0		FBADRL
CNC(=O)COc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000830992112	600681331	/nfs/dbraw/zinc/68/13/31/600681331.db2.gz	XTVLFTGYXAECLX-UHFFFAOYSA-N	-2	0	368.371	-0.107	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1	ZINC000831000303	600984084	/nfs/dbraw/zinc/98/40/84/600984084.db2.gz	ASYKWAKVWURPAG-UHFFFAOYSA-N	-2	0	369.359	-0.712	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1	ZINC000831000314	600984095	/nfs/dbraw/zinc/98/40/95/600984095.db2.gz	BPGWCPKZZBWTAA-UHFFFAOYSA-N	-2	0	353.360	-0.168	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1	ZINC000831000342	600829992	/nfs/dbraw/zinc/82/99/92/600829992.db2.gz	CZQGFOINWYKDAM-UHFFFAOYSA-N	-2	0	353.360	-0.168	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1	ZINC000831000355	600984269	/nfs/dbraw/zinc/98/42/69/600984269.db2.gz	DPKUCPUALHSHFG-UHFFFAOYSA-N	-2	0	353.360	-0.168	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1	ZINC000831000552	601360883	/nfs/dbraw/zinc/36/08/83/601360883.db2.gz	GVMMPAFFDPLJLX-UHFFFAOYSA-N	-2	0	357.323	-0.338	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1	ZINC000831000597	601360804	/nfs/dbraw/zinc/36/08/04/601360804.db2.gz	IJOFIXGRTUWLMC-DAXSKMNVSA-N	-2	0	365.371	-0.077	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC000831000599	601361315	/nfs/dbraw/zinc/36/13/15/601361315.db2.gz	IJOFIXGRTUWLMC-QPJJXVBHSA-N	-2	0	365.371	-0.077	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1	ZINC000831000730	600984340	/nfs/dbraw/zinc/98/43/40/600984340.db2.gz	LOPKQXIPFWFYQZ-UHFFFAOYSA-N	-2	0	369.359	-0.468	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1	ZINC000831000741	600984195	/nfs/dbraw/zinc/98/41/95/600984195.db2.gz	MERBKLZIBFWJJN-UHFFFAOYSA-N	-2	0	357.323	-0.338	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)n1	ZINC000831000852	601361403	/nfs/dbraw/zinc/36/14/03/601361403.db2.gz	NPWBTCABFDGDLX-UHFFFAOYSA-N	-2	0	369.359	-0.468	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1	ZINC000831001057	600984210	/nfs/dbraw/zinc/98/42/10/600984210.db2.gz	TXGNNUWWFFXXKB-UHFFFAOYSA-N	-2	0	353.360	-0.168	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000831001070	600984184	/nfs/dbraw/zinc/98/41/84/600984184.db2.gz	UFGDZRNFQWOEBA-UHFFFAOYSA-N	-2	0	353.360	-0.548	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1	ZINC000831001105	600984036	/nfs/dbraw/zinc/98/40/36/600984036.db2.gz	VVFTXQWILKCZIC-UHFFFAOYSA-N	-2	0	353.360	-0.168	20	0		FBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1	ZINC000831001110	600984057	/nfs/dbraw/zinc/98/40/57/600984057.db2.gz	VXZADUVTSILBAA-UHFFFAOYSA-N	-2	0	353.360	-0.168	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(CNC(=O)[O-])o2)cc1C(N)=O	ZINC000831013863	604210967	/nfs/dbraw/zinc/21/09/67/604210967.db2.gz	CFJWSKOXLIKHOO-UHFFFAOYSA-N	-2	0	370.343	-0.397	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000831013897	604183732	/nfs/dbraw/zinc/18/37/32/604183732.db2.gz	DQFWLWCBXKWQHH-CYBMUJFWSA-N	-2	0	358.376	-0.681	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000831013898	604183751	/nfs/dbraw/zinc/18/37/51/604183751.db2.gz	DQFWLWCBXKWQHH-ZDUSSCGKSA-N	-2	0	358.376	-0.681	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CC2(NC(=O)[O-])CCC2)cc1C(N)=O	ZINC000831014005	604252253	/nfs/dbraw/zinc/25/22/53/604252253.db2.gz	IVWGMASWGRCGBM-UHFFFAOYSA-N	-2	0	358.376	-0.491	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C2(CNC(=O)[O-])CCCC2)cc1C(N)=O	ZINC000831014193	603785062	/nfs/dbraw/zinc/78/50/62/603785062.db2.gz	PJHHCALAVQMEDE-UHFFFAOYSA-N	-2	0	372.403	-0.243	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014341	604210815	/nfs/dbraw/zinc/21/08/15/604210815.db2.gz	QWFWDBYDRBEYNZ-BDAKNGLRSA-N	-2	0	372.403	-0.245	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014342	604210819	/nfs/dbraw/zinc/21/08/19/604210819.db2.gz	QWFWDBYDRBEYNZ-DTWKUNHWSA-N	-2	0	372.403	-0.245	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014343	604210857	/nfs/dbraw/zinc/21/08/57/604210857.db2.gz	QWFWDBYDRBEYNZ-IUCAKERBSA-N	-2	0	372.403	-0.245	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014344	604210795	/nfs/dbraw/zinc/21/07/95/604210795.db2.gz	QWFWDBYDRBEYNZ-RKDXNWHRSA-N	-2	0	372.403	-0.245	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000831014347	604152784	/nfs/dbraw/zinc/15/27/84/604152784.db2.gz	QWMJZLMPJPGGQR-GFCCVEGCSA-N	-2	0	362.339	-0.979	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000831014348	604152649	/nfs/dbraw/zinc/15/26/49/604152649.db2.gz	QWMJZLMPJPGGQR-LBPRGKRZSA-N	-2	0	362.339	-0.979	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014392	604211073	/nfs/dbraw/zinc/21/10/73/604211073.db2.gz	TZOGTWIHACRZKB-HTQZYQBOSA-N	-2	0	358.376	-0.635	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014393	604210805	/nfs/dbraw/zinc/21/08/05/604210805.db2.gz	TZOGTWIHACRZKB-JGVFFNPUSA-N	-2	0	358.376	-0.635	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014394	604210755	/nfs/dbraw/zinc/21/07/55/604210755.db2.gz	TZOGTWIHACRZKB-SFYZADRCSA-N	-2	0	358.376	-0.635	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1C(N)=O	ZINC000831014395	604210948	/nfs/dbraw/zinc/21/09/48/604210948.db2.gz	TZOGTWIHACRZKB-YUMQZZPRSA-N	-2	0	358.376	-0.635	20	0		FBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000831015796	600943823	/nfs/dbraw/zinc/94/38/23/600943823.db2.gz	IOUWZYDIHFTDHK-UHFFFAOYSA-N	-2	0	369.399	-0.183	20	0		FBADRL
Cn1ccc(S(=O)(=O)[N-]c2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)n1	ZINC000831022336	603632303	/nfs/dbraw/zinc/63/23/03/603632303.db2.gz	FROGRTINGJILLL-UHFFFAOYSA-N	-2	0	356.368	-0.861	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1Cl	ZINC000831041065	605068608	/nfs/dbraw/zinc/06/86/08/605068608.db2.gz	IYUZWQRPVNGYTA-SSDOTTSWSA-N	-2	0	366.783	-0.353	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1Cl	ZINC000831041066	605068980	/nfs/dbraw/zinc/06/89/80/605068980.db2.gz	IYUZWQRPVNGYTA-ZETCQYMHSA-N	-2	0	366.783	-0.353	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1Cl	ZINC000831041108	605068909	/nfs/dbraw/zinc/06/89/09/605068909.db2.gz	KJFCEUYZIBSEAG-LURJTMIESA-N	-2	0	352.756	-0.743	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)c1Cl	ZINC000831041109	605069275	/nfs/dbraw/zinc/06/92/75/605069275.db2.gz	KJFCEUYZIBSEAG-ZCFIWIBFSA-N	-2	0	352.756	-0.743	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CSCN2C(=O)[O-])c1Cl	ZINC000831041235	604245259	/nfs/dbraw/zinc/24/52/59/604245259.db2.gz	OQGOAPFFZWZLRF-RXMQYKEDSA-N	-2	0	354.797	-0.069	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CSCN2C(=O)[O-])c1Cl	ZINC000831041236	604245373	/nfs/dbraw/zinc/24/53/73/604245373.db2.gz	OQGOAPFFZWZLRF-YFKPBYRVSA-N	-2	0	354.797	-0.069	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1Cl	ZINC000831041374	604155033	/nfs/dbraw/zinc/15/50/33/604155033.db2.gz	SZBPRPCTJBLKCK-JTQLQIEISA-N	-2	0	354.747	-0.030	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1Cl	ZINC000831041375	604155022	/nfs/dbraw/zinc/15/50/22/604155022.db2.gz	SZBPRPCTJBLKCK-SNVBAGLBSA-N	-2	0	354.747	-0.030	20	0		FBADRL
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCN(C(=O)[O-])C3)cnc21	ZINC000831058978	605280753	/nfs/dbraw/zinc/28/07/53/605280753.db2.gz	OMYGYWVFBVEBCF-JTQLQIEISA-N	-2	0	353.360	-0.220	20	0		FBADRL
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCN(C(=O)[O-])C3)cnc21	ZINC000831058984	605280687	/nfs/dbraw/zinc/28/06/87/605280687.db2.gz	OMYGYWVFBVEBCF-SNVBAGLBSA-N	-2	0	353.360	-0.220	20	0		FBADRL
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)[C@@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000831059136	605274870	/nfs/dbraw/zinc/27/48/70/605274870.db2.gz	QWTWJOWWQIIWGL-SECBINFHSA-N	-2	0	353.360	-0.220	20	0		FBADRL
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)[C@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000831059138	605275061	/nfs/dbraw/zinc/27/50/61/605275061.db2.gz	QWTWJOWWQIIWGL-VIFPVBQESA-N	-2	0	353.360	-0.220	20	0		FBADRL
Cn1nccc1S(=O)(=O)[N-]c1nc(N2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000831059172	603632121	/nfs/dbraw/zinc/63/21/21/603632121.db2.gz	RJLDDLFSAIAURN-UHFFFAOYSA-N	-2	0	356.368	-0.861	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)c1	ZINC000831064008	604644764	/nfs/dbraw/zinc/64/47/64/604644764.db2.gz	BCJZATYVHFBETE-UHFFFAOYSA-N	-2	0	366.359	-0.518	20	0		FBADRL
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000831068199	600877796	/nfs/dbraw/zinc/87/77/96/600877796.db2.gz	ZKZWHQHIKDLDPE-SSDOTTSWSA-N	-2	0	350.287	-0.509	20	0		FBADRL
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000831068200	600877990	/nfs/dbraw/zinc/87/79/90/600877990.db2.gz	ZKZWHQHIKDLDPE-ZETCQYMHSA-N	-2	0	350.287	-0.509	20	0		FBADRL
COC(=O)C[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)[O-]	ZINC000831133937	600877718	/nfs/dbraw/zinc/87/77/18/600877718.db2.gz	IVPYOUMTVSDEKT-SSDOTTSWSA-N	-2	0	350.287	-0.509	20	0		FBADRL
COC(=O)C[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)[O-]	ZINC000831133939	600877936	/nfs/dbraw/zinc/87/79/36/600877936.db2.gz	IVPYOUMTVSDEKT-ZETCQYMHSA-N	-2	0	350.287	-0.509	20	0		FBADRL
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1	ZINC000831185595	600986550	/nfs/dbraw/zinc/98/65/50/600986550.db2.gz	ZUSHTBGXQRACOZ-UHFFFAOYSA-N	-2	0	370.343	-0.285	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1	ZINC000831188819	600986374	/nfs/dbraw/zinc/98/63/74/600986374.db2.gz	JZTXFXCHQNUODP-UHFFFAOYSA-N	-2	0	354.344	-0.121	20	0		FBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1	ZINC000831192114	600986462	/nfs/dbraw/zinc/98/64/62/600986462.db2.gz	ATJFJDHFSZUSKT-UHFFFAOYSA-N	-2	0	370.343	-0.285	20	0		FBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cn1	ZINC000831192369	600974644	/nfs/dbraw/zinc/97/46/44/600974644.db2.gz	IVQDENQGGBMSPU-UHFFFAOYSA-N	-2	0	360.373	-0.060	20	0		FBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000831192534	600987021	/nfs/dbraw/zinc/98/70/21/600987021.db2.gz	MXWAKJZECLYUHS-UHFFFAOYSA-N	-2	0	354.344	-0.121	20	0		FBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)n1	ZINC000831192545	601361348	/nfs/dbraw/zinc/36/13/48/601361348.db2.gz	NNYVWGIQIZVHLF-UHFFFAOYSA-N	-2	0	370.343	-0.041	20	0		FBADRL
COC(=O)Cc1csc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000831192720	600974851	/nfs/dbraw/zinc/97/48/51/600974851.db2.gz	RZIRCORXMNVGQY-UHFFFAOYSA-N	-2	0	360.373	-0.060	20	0		FBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1	ZINC000831193020	600986948	/nfs/dbraw/zinc/98/69/48/600986948.db2.gz	ZTGNAJNWAGSNMO-UHFFFAOYSA-N	-2	0	370.343	-0.041	20	0		FBADRL
NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831194001	605283660	/nfs/dbraw/zinc/28/36/60/605283660.db2.gz	DWCNVSPPGBTFEP-LLVKDONJSA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831194004	605283703	/nfs/dbraw/zinc/28/37/03/605283703.db2.gz	DWCNVSPPGBTFEP-NSHDSACASA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831194331	605279127	/nfs/dbraw/zinc/27/91/27/605279127.db2.gz	KYYKXSKUDMIIAK-LLVKDONJSA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831194332	605279040	/nfs/dbraw/zinc/27/90/40/605279040.db2.gz	KYYKXSKUDMIIAK-NSHDSACASA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831194445	605283675	/nfs/dbraw/zinc/28/36/75/605283675.db2.gz	MKUVBBINPRIYMR-SECBINFHSA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831194446	605283625	/nfs/dbraw/zinc/28/36/25/605283625.db2.gz	MKUVBBINPRIYMR-VIFPVBQESA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000831208521	604649052	/nfs/dbraw/zinc/64/90/52/604649052.db2.gz	QWGNSJPOZNKIEJ-UHFFFAOYSA-N	-2	0	356.360	-0.540	20	0		FBADRL
NC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831208725	605275196	/nfs/dbraw/zinc/27/51/96/605275196.db2.gz	UOWGQSOSARCOTM-LLVKDONJSA-N	-2	0	370.387	-0.333	20	0		FBADRL
NC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831208726	605275209	/nfs/dbraw/zinc/27/52/09/605275209.db2.gz	UOWGQSOSARCOTM-NSHDSACASA-N	-2	0	370.387	-0.333	20	0		FBADRL
NC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831209076	605278162	/nfs/dbraw/zinc/27/81/62/605278162.db2.gz	ZIJOLFRNYLAHQP-JTQLQIEISA-N	-2	0	356.360	-0.011	20	0		FBADRL
NC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831209078	605277915	/nfs/dbraw/zinc/27/79/15/605277915.db2.gz	ZIJOLFRNYLAHQP-SNVBAGLBSA-N	-2	0	356.360	-0.011	20	0		FBADRL
NC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831216578	605281386	/nfs/dbraw/zinc/28/13/86/605281386.db2.gz	SYRZMWBOFCNEJV-JTQLQIEISA-N	-2	0	356.360	-0.011	20	0		FBADRL
NC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831216581	605281459	/nfs/dbraw/zinc/28/14/59/605281459.db2.gz	SYRZMWBOFCNEJV-SNVBAGLBSA-N	-2	0	356.360	-0.011	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)s1	ZINC000831234267	605077331	/nfs/dbraw/zinc/07/73/31/605077331.db2.gz	NLVHKUVPFWAGGU-LURJTMIESA-N	-2	0	363.373	-0.969	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)s1	ZINC000831234277	605077532	/nfs/dbraw/zinc/07/75/32/605077532.db2.gz	NLVHKUVPFWAGGU-ZCFIWIBFSA-N	-2	0	363.373	-0.969	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)s1	ZINC000831234597	604158384	/nfs/dbraw/zinc/15/83/84/604158384.db2.gz	RONAMLDQBFKZIJ-LLVKDONJSA-N	-2	0	365.364	-0.256	20	0		FBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(=O)[O-])C2)s1	ZINC000831234598	604158758	/nfs/dbraw/zinc/15/87/58/604158758.db2.gz	RONAMLDQBFKZIJ-NSHDSACASA-N	-2	0	365.364	-0.256	20	0		FBADRL
NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831234877	605272294	/nfs/dbraw/zinc/27/22/94/605272294.db2.gz	YJNKNPWOYYNWNJ-LLVKDONJSA-N	-2	0	371.371	-0.637	20	0		FBADRL
NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831234879	605272019	/nfs/dbraw/zinc/27/20/19/605272019.db2.gz	YJNKNPWOYYNWNJ-NSHDSACASA-N	-2	0	371.371	-0.637	20	0		FBADRL
O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[N-]S(=O)(=O)N1CCOCC1	ZINC000831308556	604190617	/nfs/dbraw/zinc/19/06/17/604190617.db2.gz	UUFMAZGXWNADEI-YOGCLGLASA-N	-2	0	361.420	-0.009	20	0		FBADRL
O=C(C[C@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831349833	605268103	/nfs/dbraw/zinc/26/81/03/605268103.db2.gz	KLGUXPOCPSKSNR-BDAKNGLRSA-N	-2	0	354.406	-0.991	20	0		FBADRL
O=C(C[C@@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831349834	605268135	/nfs/dbraw/zinc/26/81/35/605268135.db2.gz	KLGUXPOCPSKSNR-DTWKUNHWSA-N	-2	0	354.406	-0.991	20	0		FBADRL
O=C(C[C@@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831349835	605268057	/nfs/dbraw/zinc/26/80/57/605268057.db2.gz	KLGUXPOCPSKSNR-IUCAKERBSA-N	-2	0	354.406	-0.991	20	0		FBADRL
O=C(C[C@H]1CCS(=O)(=O)C1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831349836	605268051	/nfs/dbraw/zinc/26/80/51/605268051.db2.gz	KLGUXPOCPSKSNR-RKDXNWHRSA-N	-2	0	354.406	-0.991	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)ccc1OC	ZINC000831353214	600987216	/nfs/dbraw/zinc/98/72/16/600987216.db2.gz	FEOPQECIPIHDOM-UHFFFAOYSA-N	-2	0	370.343	-0.041	20	0		FBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000831389034	605071738	/nfs/dbraw/zinc/07/17/38/605071738.db2.gz	YWTWUIKGXGPPIA-GHMZBOCLSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000831389038	605071938	/nfs/dbraw/zinc/07/19/38/605071938.db2.gz	YWTWUIKGXGPPIA-MNOVXSKESA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000831389040	605071731	/nfs/dbraw/zinc/07/17/31/605071731.db2.gz	YWTWUIKGXGPPIA-QWRGUYRKSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000831389042	605072256	/nfs/dbraw/zinc/07/22/56/605072256.db2.gz	YWTWUIKGXGPPIA-WDEREUQCSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)N1CCOCC1	ZINC000831414040	605422110	/nfs/dbraw/zinc/42/21/10/605422110.db2.gz	IQURMIQLMBKTQO-SECBINFHSA-N	-2	0	353.422	-0.835	20	0		FBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)N1CCOCC1	ZINC000831414041	605421791	/nfs/dbraw/zinc/42/17/91/605421791.db2.gz	IQURMIQLMBKTQO-VIFPVBQESA-N	-2	0	353.422	-0.835	20	0		FBADRL
O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831428515	605281501	/nfs/dbraw/zinc/28/15/01/605281501.db2.gz	IKWJHILWVYDTQH-SECBINFHSA-N	-2	0	361.376	-0.886	20	0		FBADRL
O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831428516	605281643	/nfs/dbraw/zinc/28/16/43/605281643.db2.gz	IKWJHILWVYDTQH-VIFPVBQESA-N	-2	0	361.376	-0.886	20	0		FBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)C1	ZINC000831428643	605277198	/nfs/dbraw/zinc/27/71/98/605277198.db2.gz	JDUAOKFPQGPKAB-LLVKDONJSA-N	-2	0	357.388	-0.173	20	0		FBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)C1	ZINC000831428645	605277101	/nfs/dbraw/zinc/27/71/01/605277101.db2.gz	JDUAOKFPQGPKAB-NSHDSACASA-N	-2	0	357.388	-0.173	20	0		FBADRL
O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831433100	661146509	/nfs/dbraw/zinc/14/65/09/661146509.db2.gz	QCFUOHUJKKISMI-GHMZBOCLSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CCOC[C@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831433101	661146439	/nfs/dbraw/zinc/14/64/39/661146439.db2.gz	QCFUOHUJKKISMI-MNOVXSKESA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831433102	661146489	/nfs/dbraw/zinc/14/64/89/661146489.db2.gz	QCFUOHUJKKISMI-QWRGUYRKSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CCOC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831433105	661146475	/nfs/dbraw/zinc/14/64/75/661146475.db2.gz	QCFUOHUJKKISMI-WDEREUQCSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CCOC1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831433977	605279158	/nfs/dbraw/zinc/27/91/58/605279158.db2.gz	XXPBIGYZCQKGDP-LLVKDONJSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CCOC1CCOCC1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831433978	605279145	/nfs/dbraw/zinc/27/91/45/605279145.db2.gz	XXPBIGYZCQKGDP-NSHDSACASA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831434073	605275247	/nfs/dbraw/zinc/27/52/47/605275247.db2.gz	YUCVAGMEWHMGFM-SECBINFHSA-N	-2	0	359.360	-0.402	20	0		FBADRL
O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831434078	605274867	/nfs/dbraw/zinc/27/48/67/605274867.db2.gz	YUCVAGMEWHMGFM-VIFPVBQESA-N	-2	0	359.360	-0.402	20	0		FBADRL
COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1	ZINC000831439890	601361707	/nfs/dbraw/zinc/36/17/07/601361707.db2.gz	DZZDBOLEQKPTRK-UHFFFAOYSA-N	-2	0	370.343	-0.041	20	0		FBADRL
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O=C([O-])NC1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1	ZINC000832176334	604640969	/nfs/dbraw/zinc/64/09/69/604640969.db2.gz	ZAELXZYKAWIZGQ-UHFFFAOYSA-N	-2	0	352.332	-0.733	20	0		FBADRL
O=C([O-])N[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000832366085	603731111	/nfs/dbraw/zinc/73/11/11/603731111.db2.gz	QGRKDQUWEGFCJY-SSDOTTSWSA-N	-2	0	369.359	-0.143	20	0		FBADRL
O=C([O-])N[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000832366088	603731173	/nfs/dbraw/zinc/73/11/73/603731173.db2.gz	QGRKDQUWEGFCJY-ZETCQYMHSA-N	-2	0	369.359	-0.143	20	0		FBADRL
O=C([O-])NC1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000832392148	604245055	/nfs/dbraw/zinc/24/50/55/604245055.db2.gz	OAFXLBICPQPGEG-UHFFFAOYSA-N	-2	0	369.359	-0.143	20	0		FBADRL
O=C([O-])N[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000832392441	605944833	/nfs/dbraw/zinc/94/48/33/605944833.db2.gz	UWIINKWJBNLDFG-LURJTMIESA-N	-2	0	355.332	-0.533	20	0		FBADRL
O=C([O-])N[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000832392442	604336605	/nfs/dbraw/zinc/33/66/05/604336605.db2.gz	UWIINKWJBNLDFG-ZCFIWIBFSA-N	-2	0	355.332	-0.533	20	0		FBADRL
O=C([O-])NC[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1	ZINC000832408163	603591036	/nfs/dbraw/zinc/59/10/36/603591036.db2.gz	OWCGUGQIMVFGMV-GFCCVEGCSA-N	-2	0	357.388	-0.269	20	0		FBADRL
O=C([O-])NC[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1	ZINC000832408168	603591108	/nfs/dbraw/zinc/59/11/08/603591108.db2.gz	OWCGUGQIMVFGMV-LBPRGKRZSA-N	-2	0	357.388	-0.269	20	0		FBADRL
O=C([O-])NC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000832433192	603733747	/nfs/dbraw/zinc/73/37/47/603733747.db2.gz	JJXDVUAOXKHGCP-SECBINFHSA-N	-2	0	369.359	-0.240	20	0		FBADRL
O=C([O-])NC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000832433193	603733608	/nfs/dbraw/zinc/73/36/08/603733608.db2.gz	JJXDVUAOXKHGCP-VIFPVBQESA-N	-2	0	369.359	-0.240	20	0		FBADRL
O=C([O-])NC[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000832578878	603733191	/nfs/dbraw/zinc/73/31/91/603733191.db2.gz	QSYGEJXJLPVCGF-SSDOTTSWSA-N	-2	0	369.359	-0.143	20	0		FBADRL
O=C([O-])NC[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000832578879	603733320	/nfs/dbraw/zinc/73/33/20/603733320.db2.gz	QSYGEJXJLPVCGF-ZETCQYMHSA-N	-2	0	369.359	-0.143	20	0		FBADRL
COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])cn1	ZINC000832583112	661156808	/nfs/dbraw/zinc/15/68/08/661156808.db2.gz	OEYQPOMYOHVDRT-UHFFFAOYSA-N	-2	0	354.344	-0.047	20	0		FBADRL
O=C([O-])NC[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000832595855	603730903	/nfs/dbraw/zinc/73/09/03/603730903.db2.gz	REOXOXAMDYLBBG-SSDOTTSWSA-N	-2	0	369.359	-0.286	20	0		FBADRL
O=C([O-])NC[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000832595858	603730871	/nfs/dbraw/zinc/73/08/71/603730871.db2.gz	REOXOXAMDYLBBG-ZETCQYMHSA-N	-2	0	369.359	-0.286	20	0		FBADRL
COc1ncc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C(N)=O	ZINC000832653832	602320167	/nfs/dbraw/zinc/32/01/67/602320167.db2.gz	BUWWYYSVOJTVPN-UHFFFAOYSA-N	-2	0	355.332	-0.729	20	0		FBADRL
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000832676522	600685778	/nfs/dbraw/zinc/68/57/78/600685778.db2.gz	VDQYUSKOUCLZBS-UHFFFAOYSA-N	-2	0	362.389	-0.245	20	0		FBADRL
CS(=O)(=O)c1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc(C(=O)[O-])c1	ZINC000832714113	602367130	/nfs/dbraw/zinc/36/71/30/602367130.db2.gz	ZCYMGJOVVDBJDD-UHFFFAOYSA-N	-2	0	355.332	-0.066	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1	ZINC000832725000	600986754	/nfs/dbraw/zinc/98/67/54/600986754.db2.gz	BUQCVARSPILQTN-UHFFFAOYSA-N	-2	0	360.373	-0.433	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1	ZINC000832725166	600987119	/nfs/dbraw/zinc/98/71/19/600987119.db2.gz	HTYLQPHYPAFZRF-UHFFFAOYSA-N	-2	0	360.373	-0.433	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1	ZINC000832725819	600987090	/nfs/dbraw/zinc/98/70/90/600987090.db2.gz	WYVINTJBCFZQHT-UHFFFAOYSA-N	-2	0	360.373	-0.433	20	0		FBADRL
O=C([O-])NCc1nc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cs1	ZINC000832734587	603592056	/nfs/dbraw/zinc/59/20/56/603592056.db2.gz	GVFIVFNKOQJKRS-UHFFFAOYSA-N	-2	0	350.378	-0.783	20	0		FBADRL
Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000832862317	600887098	/nfs/dbraw/zinc/88/70/98/600887098.db2.gz	ZUBBEBFKOVKOHB-MRVPVSSYSA-N	-2	0	361.314	-0.840	20	0		FBADRL
Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000832862318	600887222	/nfs/dbraw/zinc/88/72/22/600887222.db2.gz	ZUBBEBFKOVKOHB-QMMMGPOBSA-N	-2	0	361.314	-0.840	20	0		FBADRL
Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1S(N)(=O)=O	ZINC000832899407	600681388	/nfs/dbraw/zinc/68/13/88/600681388.db2.gz	JSVJSPNCLKJQNW-UHFFFAOYSA-N	-2	0	374.400	-0.276	20	0		FBADRL
Cc1ccc(-n2[n-]c(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])cc2=O)cc1	ZINC000832910186	600886632	/nfs/dbraw/zinc/88/66/32/600886632.db2.gz	RTQVTBLIIHFDTI-CYBMUJFWSA-N	-2	0	358.354	-0.111	20	0		FBADRL
Cc1ccc(-n2[n-]c(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])cc2=O)cc1	ZINC000832910187	600886600	/nfs/dbraw/zinc/88/66/00/600886600.db2.gz	RTQVTBLIIHFDTI-ZDUSSCGKSA-N	-2	0	358.354	-0.111	20	0		FBADRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000832919882	601138143	/nfs/dbraw/zinc/13/81/43/601138143.db2.gz	XUGPPYVUYGNMDY-JTQLQIEISA-N	-2	0	356.356	-0.343	20	0		FBADRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000832919883	601138329	/nfs/dbraw/zinc/13/83/29/601138329.db2.gz	XUGPPYVUYGNMDY-SNVBAGLBSA-N	-2	0	356.356	-0.343	20	0		FBADRL
Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1S(N)(=O)=O	ZINC000832950724	600672353	/nfs/dbraw/zinc/67/23/53/600672353.db2.gz	XKHMMOQBJCFHKF-UHFFFAOYSA-N	-2	0	374.400	-0.276	20	0		FBADRL
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1	ZINC000832957050	600987062	/nfs/dbraw/zinc/98/70/62/600987062.db2.gz	VVQQHSGPROHGKI-UHFFFAOYSA-N	-2	0	374.400	-0.125	20	0		FBADRL
Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833013662	602186075	/nfs/dbraw/zinc/18/60/75/602186075.db2.gz	GIBAVMUGQCXDFK-UHFFFAOYSA-N	-2	0	374.419	-0.427	20	0		FBADRL
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cc12	ZINC000833016227	600987026	/nfs/dbraw/zinc/98/70/26/600987026.db2.gz	UIQFLNDSVHANDO-UHFFFAOYSA-N	-2	0	351.348	-0.246	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)cc2n(C)c1=O	ZINC000833037832	600986748	/nfs/dbraw/zinc/98/67/48/600986748.db2.gz	DPAKOYIKKLSCTP-UHFFFAOYSA-N	-2	0	366.359	-0.646	20	0		FBADRL
Cn1c2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2n(C)c1=O	ZINC000833038084	600678954	/nfs/dbraw/zinc/67/89/54/600678954.db2.gz	LORYLXRPWKNPJH-UHFFFAOYSA-N	-2	0	365.371	-0.041	20	0		FBADRL
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ncn(CC(=O)[O-])n3)ccc21	ZINC000833038677	600987155	/nfs/dbraw/zinc/98/71/55/600987155.db2.gz	BYGIUYMUQDHTCO-UHFFFAOYSA-N	-2	0	353.316	-0.392	20	0		FBADRL
Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000833041974	601599282	/nfs/dbraw/zinc/59/92/82/601599282.db2.gz	IOACQSREIRXJCG-UHFFFAOYSA-N	-2	0	351.340	-0.059	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000833053298	601235787	/nfs/dbraw/zinc/23/57/87/601235787.db2.gz	CKTVMRFKENINSP-BDAKNGLRSA-N	-2	0	357.388	-0.180	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000833053299	601235847	/nfs/dbraw/zinc/23/58/47/601235847.db2.gz	CKTVMRFKENINSP-DTWKUNHWSA-N	-2	0	357.388	-0.180	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000833053300	601235827	/nfs/dbraw/zinc/23/58/27/601235827.db2.gz	CKTVMRFKENINSP-IUCAKERBSA-N	-2	0	357.388	-0.180	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000833053301	601235794	/nfs/dbraw/zinc/23/57/94/601235794.db2.gz	CKTVMRFKENINSP-RKDXNWHRSA-N	-2	0	357.388	-0.180	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1C(N)=O	ZINC000833055243	602104014	/nfs/dbraw/zinc/10/40/14/602104014.db2.gz	DOZUZFVAEDHPDP-UHFFFAOYSA-N	-2	0	359.389	-0.207	20	0		FBADRL
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)N3CCC(C(=O)[O-])CC3)cnc21	ZINC000833060624	601302826	/nfs/dbraw/zinc/30/28/26/601302826.db2.gz	ALVJKWGWOFRXRI-UHFFFAOYSA-N	-2	0	367.387	-0.261	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1	ZINC000833061323	600986820	/nfs/dbraw/zinc/98/68/20/600986820.db2.gz	AIESSJQGMXUDOW-UHFFFAOYSA-N	-2	0	364.347	-0.646	20	0		FBADRL
NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1	ZINC000833080901	600674957	/nfs/dbraw/zinc/67/49/57/600674957.db2.gz	GWQFPZLETXNJGN-UHFFFAOYSA-N	-2	0	366.355	-0.271	20	0		FBADRL
NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000833082143	600678835	/nfs/dbraw/zinc/67/88/35/600678835.db2.gz	WOBBJLJTVQGOGX-UHFFFAOYSA-N	-2	0	366.355	-0.271	20	0		FBADRL
NC(=O)NCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000833085264	600678366	/nfs/dbraw/zinc/67/83/66/600678366.db2.gz	FFUVIWLOGRPAQQ-UHFFFAOYSA-N	-2	0	353.360	-0.063	20	0		FBADRL
O=C(CCOC1CCOCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833100713	601843299	/nfs/dbraw/zinc/84/32/99/601843299.db2.gz	LILTXYJNZJVPAZ-UHFFFAOYSA-N	-2	0	364.420	-0.270	20	0		FBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)CC1	ZINC000833109518	601809370	/nfs/dbraw/zinc/80/93/70/601809370.db2.gz	FWBUQQYHPREOOJ-UHFFFAOYSA-N	-2	0	369.399	-0.426	20	0		FBADRL
O=C([O-])[C@@]1(F)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000833175152	601520770	/nfs/dbraw/zinc/52/07/70/601520770.db2.gz	CABPZSMWDKRUQU-GFCCVEGCSA-N	-2	0	358.307	-0.377	20	0		FBADRL
O=C([O-])[C@]1(F)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000833175153	601520620	/nfs/dbraw/zinc/52/06/20/601520620.db2.gz	CABPZSMWDKRUQU-LBPRGKRZSA-N	-2	0	358.307	-0.377	20	0		FBADRL
O=C([O-])C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1	ZINC000833220310	601521538	/nfs/dbraw/zinc/52/15/38/601521538.db2.gz	PRQATKVVTMMYKT-SSDOTTSWSA-N	-2	0	370.343	-0.700	20	0		FBADRL
O=C([O-])C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCO1	ZINC000833220311	601521600	/nfs/dbraw/zinc/52/16/00/601521600.db2.gz	PRQATKVVTMMYKT-ZETCQYMHSA-N	-2	0	370.343	-0.700	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cn(Cc2ccccn2)nn1	ZINC000833228175	600947446	/nfs/dbraw/zinc/94/74/46/600947446.db2.gz	IKKFJTNHOHRMRB-UHFFFAOYSA-N	-2	0	353.360	-0.354	20	0		FBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCNC(=O)c1cccnc1	ZINC000833228717	604693923	/nfs/dbraw/zinc/69/39/23/604693923.db2.gz	WESKITYUHIJHES-UHFFFAOYSA-N	-2	0	357.388	-0.098	20	0		FBADRL
O=C([O-])CCN(Cc1ccncc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000833234119	601512084	/nfs/dbraw/zinc/51/20/84/601512084.db2.gz	FIOAUKLQBMRPFW-UHFFFAOYSA-N	-2	0	356.342	-0.030	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000833251554	601827817	/nfs/dbraw/zinc/82/78/17/601827817.db2.gz	ASPHMUDGUZIAQX-UHFFFAOYSA-N	-2	0	350.736	-0.483	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000833251642	601831499	/nfs/dbraw/zinc/83/14/99/601831499.db2.gz	KHHWDUVLXIAVJC-UHFFFAOYSA-N	-2	0	352.271	-0.858	20	0		FBADRL
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000833260385	602051046	/nfs/dbraw/zinc/05/10/46/602051046.db2.gz	CQPZDQLJDNOPKY-UHFFFAOYSA-N	-2	0	353.356	-0.822	20	0		FBADRL
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)[nH]1	ZINC000833266790	601582424	/nfs/dbraw/zinc/58/24/24/601582424.db2.gz	RZPXXMPJLVDXLF-UHFFFAOYSA-N	-2	0	358.314	-0.454	20	0		FBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1	ZINC000833276404	600987184	/nfs/dbraw/zinc/98/71/84/600987184.db2.gz	AQJIWDRNNYHXRL-UHFFFAOYSA-N	-2	0	353.316	-0.506	20	0		FBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1	ZINC000833276486	600986878	/nfs/dbraw/zinc/98/68/78/600986878.db2.gz	IEVOGHGKRODDSE-UHFFFAOYSA-N	-2	0	351.344	-0.551	20	0		FBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1	ZINC000833276651	601963656	/nfs/dbraw/zinc/96/36/56/601963656.db2.gz	OBACQGVUHNIYLW-UHFFFAOYSA-N	-2	0	372.384	-0.507	20	0		FBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1	ZINC000833276677	600987385	/nfs/dbraw/zinc/98/73/85/600987385.db2.gz	QRZISZXRDJZFFD-UHFFFAOYSA-N	-2	0	350.320	-0.861	20	0		FBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1	ZINC000833277122	600987416	/nfs/dbraw/zinc/98/74/16/600987416.db2.gz	KQJHSWFRSYXYLP-UHFFFAOYSA-N	-2	0	350.320	-0.861	20	0		FBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1	ZINC000833279468	601193008	/nfs/dbraw/zinc/19/30/08/601193008.db2.gz	PFURWQIQPDTJIU-UHFFFAOYSA-N	-2	0	371.371	-0.279	20	0		FBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1	ZINC000833279487	601364371	/nfs/dbraw/zinc/36/43/71/601364371.db2.gz	WWYRXFNCFKMIKT-UHFFFAOYSA-N	-2	0	368.364	-0.687	20	0		FBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000833279492	604731541	/nfs/dbraw/zinc/73/15/41/604731541.db2.gz	YCHKECXJMSEYLY-UHFFFAOYSA-N	-2	0	363.735	-0.257	20	0		FBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)c[nH]1	ZINC000833360302	600980138	/nfs/dbraw/zinc/98/01/38/600980138.db2.gz	FEYDIGHUEYVKMP-UHFFFAOYSA-N	-2	0	365.371	-0.155	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-])s1	ZINC000833397250	604982370	/nfs/dbraw/zinc/98/23/70/604982370.db2.gz	KOOSVRSQJOKFRG-ZETCQYMHSA-N	-2	0	363.417	-0.112	20	0		FBADRL
CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833397984	605291905	/nfs/dbraw/zinc/29/19/05/605291905.db2.gz	UMBIAZKFQTYGMN-LBPRGKRZSA-N	-2	0	363.436	-0.305	20	0		FBADRL
CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CO1	ZINC000833562190	605117494	/nfs/dbraw/zinc/11/74/94/605117494.db2.gz	MISWQXVKHGTJIS-UHFFFAOYSA-N	-2	0	364.420	-0.067	20	0		FBADRL
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cn1C	ZINC000833687030	605041979	/nfs/dbraw/zinc/04/19/79/605041979.db2.gz	AJVSWYSNUTYIBX-UHFFFAOYSA-N	-2	0	355.376	-0.191	20	0		FBADRL
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1C	ZINC000833687077	605041911	/nfs/dbraw/zinc/04/19/11/605041911.db2.gz	DJVOMJOUAGYSEK-UHFFFAOYSA-N	-2	0	355.376	-0.191	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cc1	ZINC000833700643	605708234	/nfs/dbraw/zinc/70/82/34/605708234.db2.gz	PLBJXJVVYIYWTC-UHFFFAOYSA-N	-2	0	364.339	-0.347	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)cc1	ZINC000833700988	605908880	/nfs/dbraw/zinc/90/88/80/605908880.db2.gz	YQNWFOFAULDYTH-UHFFFAOYSA-N	-2	0	353.312	-0.149	20	0		FBADRL
COc1c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cccc1C(N)=O	ZINC000833726613	605169865	/nfs/dbraw/zinc/16/98/65/605169865.db2.gz	FPZZAWISPLFMJA-UHFFFAOYSA-N	-2	0	354.344	-0.124	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])no2)c1	ZINC000833736928	605901378	/nfs/dbraw/zinc/90/13/78/605901378.db2.gz	GQTBEVUGDFMPJR-UHFFFAOYSA-N	-2	0	374.352	-0.105	20	0		FBADRL
Cn1ncnc1COc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])cc1	ZINC000833759896	604888554	/nfs/dbraw/zinc/88/85/54/604888554.db2.gz	YOTQSDWIYQQFFP-UHFFFAOYSA-N	-2	0	369.359	-0.533	20	0		FBADRL
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)CNC(=O)[O-]	ZINC000833761621	604839646	/nfs/dbraw/zinc/83/96/46/604839646.db2.gz	MTOUKADIEDUDSC-UHFFFAOYSA-N	-2	0	365.751	-0.723	20	0		FBADRL
NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1	ZINC000833761723	605188786	/nfs/dbraw/zinc/18/87/86/605188786.db2.gz	UIYQGEUYPKWMTC-UHFFFAOYSA-N	-2	0	367.339	-0.006	20	0		FBADRL
NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1	ZINC000833761814	605185982	/nfs/dbraw/zinc/18/59/82/605185982.db2.gz	ZKJAKYOEDHONDH-UHFFFAOYSA-N	-2	0	367.339	-0.006	20	0		FBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000833777382	605180623	/nfs/dbraw/zinc/18/06/23/605180623.db2.gz	PBKIKMMAVCLUOK-UHFFFAOYSA-N	-2	0	369.355	-0.614	20	0		FBADRL
CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-]	ZINC000833794693	605430362	/nfs/dbraw/zinc/43/03/62/605430362.db2.gz	QLGBALYRIOABHI-SECBINFHSA-N	-2	0	358.438	-0.451	20	0		FBADRL
CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-]	ZINC000833794694	605430475	/nfs/dbraw/zinc/43/04/75/605430475.db2.gz	QLGBALYRIOABHI-VIFPVBQESA-N	-2	0	358.438	-0.451	20	0		FBADRL
CCn1c(=O)c2ccccc2n(CC(=O)[N-]OC[C@H](C)NC(=O)[O-])c1=O	ZINC000833866209	606068343	/nfs/dbraw/zinc/06/83/43/606068343.db2.gz	FTDMALLLHSABBK-JTQLQIEISA-N	-2	0	364.358	-0.113	20	0		FBADRL
CCn1c(=O)c2ccccc2n(CC(=O)[N-]OC[C@@H](C)NC(=O)[O-])c1=O	ZINC000833866210	606068205	/nfs/dbraw/zinc/06/82/05/606068205.db2.gz	FTDMALLLHSABBK-SNVBAGLBSA-N	-2	0	364.358	-0.113	20	0		FBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CSCN2C(=O)[O-])cc1	ZINC000833876230	606111350	/nfs/dbraw/zinc/11/13/50/606111350.db2.gz	CTMBITCKTPTCNN-SNVBAGLBSA-N	-2	0	373.412	-0.096	20	0		FBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2noc(CCNC(=O)[O-])n2)cn1	ZINC000833880965	605412455	/nfs/dbraw/zinc/41/24/55/605412455.db2.gz	POJSDGZLBNVICH-UHFFFAOYSA-N	-2	0	371.331	-0.138	20	0		FBADRL
COCCN(CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000833882873	606112902	/nfs/dbraw/zinc/11/29/02/606112902.db2.gz	CEJWIWWSJZBAJV-LLVKDONJSA-N	-2	0	359.379	-0.606	20	0		FBADRL
COCCN(CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000833883016	606112893	/nfs/dbraw/zinc/11/28/93/606112893.db2.gz	CEJWIWWSJZBAJV-NSHDSACASA-N	-2	0	359.379	-0.606	20	0		FBADRL
COCCN(CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	ZINC000833883662	606059426	/nfs/dbraw/zinc/05/94/26/606059426.db2.gz	PCUGGRKKMFYAMH-UHFFFAOYSA-N	-2	0	359.379	-0.606	20	0		FBADRL
Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000833896752	606059727	/nfs/dbraw/zinc/05/97/27/606059727.db2.gz	NKRYNZNISBKRQG-LLVKDONJSA-N	-2	0	367.362	-0.173	20	0		FBADRL
Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000833896753	606059480	/nfs/dbraw/zinc/05/94/80/606059480.db2.gz	NKRYNZNISBKRQG-NSHDSACASA-N	-2	0	367.362	-0.173	20	0		FBADRL
Cc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])nnn1C1CCN(C(=O)[O-])CC1	ZINC000833897154	606052115	/nfs/dbraw/zinc/05/21/15/606052115.db2.gz	VSSGTAMGLZEVTE-LLVKDONJSA-N	-2	0	367.362	-0.173	20	0		FBADRL
Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])nnn1C1CCN(C(=O)[O-])CC1	ZINC000833897156	606051798	/nfs/dbraw/zinc/05/17/98/606051798.db2.gz	VSSGTAMGLZEVTE-NSHDSACASA-N	-2	0	367.362	-0.173	20	0		FBADRL
Cn1c(=O)oc2c1cccc2C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833939940	605362777	/nfs/dbraw/zinc/36/27/77/605362777.db2.gz	FUKHQYGONKHFNR-MRVPVSSYSA-N	-2	0	369.355	-0.057	20	0		FBADRL
Cn1c(=O)oc2c1cccc2C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000833939941	605362847	/nfs/dbraw/zinc/36/28/47/605362847.db2.gz	FUKHQYGONKHFNR-QMMMGPOBSA-N	-2	0	369.355	-0.057	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c(=O)n(C)c1=O	ZINC000833949753	606078597	/nfs/dbraw/zinc/07/85/97/606078597.db2.gz	AQLCYYHTHNZZEV-UHFFFAOYSA-N	-2	0	354.344	-0.025	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000833950649	605481542	/nfs/dbraw/zinc/48/15/42/605481542.db2.gz	JRBQHFHZVOVQLB-SECBINFHSA-N	-2	0	372.403	-0.291	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCN(C(=O)[O-])C2)cc1C(N)=O	ZINC000833950650	605481608	/nfs/dbraw/zinc/48/16/08/605481608.db2.gz	JRBQHFHZVOVQLB-VIFPVBQESA-N	-2	0	372.403	-0.291	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCN2C(=O)[O-])cc1C(N)=O	ZINC000833950663	605481830	/nfs/dbraw/zinc/48/18/30/605481830.db2.gz	KEEVVKBAPPBXEU-VIFPVBQESA-N	-2	0	372.403	-0.149	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](CC(F)F)NC(=O)[O-])cc1C(N)=O	ZINC000833951508	606084019	/nfs/dbraw/zinc/08/40/19/606084019.db2.gz	USUTUKMWQVXJMB-LURJTMIESA-N	-2	0	368.318	-0.780	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](CC(F)F)NC(=O)[O-])cc1C(N)=O	ZINC000833951509	606084491	/nfs/dbraw/zinc/08/44/91/606084491.db2.gz	USUTUKMWQVXJMB-ZCFIWIBFSA-N	-2	0	368.318	-0.780	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CC2CCN(C(=O)[O-])CC2)cc1C(N)=O	ZINC000833951572	606084333	/nfs/dbraw/zinc/08/43/33/606084333.db2.gz	XADPVQATABCOII-UHFFFAOYSA-N	-2	0	372.403	-0.291	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)CCOC2CN(C(=O)[O-])C2)c1Cl	ZINC000833958182	606110402	/nfs/dbraw/zinc/11/04/02/606110402.db2.gz	DKTHERXEJHWNLY-UHFFFAOYSA-N	-2	0	366.783	-0.353	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C2CN(C(=O)[O-])C2)c1	ZINC000833960688	605586241	/nfs/dbraw/zinc/58/62/41/605586241.db2.gz	LRWXXVYUTKSNQF-UHFFFAOYSA-N	-2	0	366.359	-0.708	20	0		FBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000833986886	605694394	/nfs/dbraw/zinc/69/43/94/605694394.db2.gz	FDASIXWRVKZZNS-NXEZZACHSA-N	-2	0	352.434	-0.046	20	0		FBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000833986889	605694190	/nfs/dbraw/zinc/69/41/90/605694190.db2.gz	FDASIXWRVKZZNS-UWVGGRQHSA-N	-2	0	352.434	-0.046	20	0		FBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000833986892	605694392	/nfs/dbraw/zinc/69/43/92/605694392.db2.gz	FDASIXWRVKZZNS-VHSXEESVSA-N	-2	0	352.434	-0.046	20	0		FBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000833986895	605694424	/nfs/dbraw/zinc/69/44/24/605694424.db2.gz	FDASIXWRVKZZNS-ZJUUUORDSA-N	-2	0	352.434	-0.046	20	0		FBADRL
O=C(CCOC1CN(C(=O)[O-])C1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000833992754	606111878	/nfs/dbraw/zinc/11/18/78/606111878.db2.gz	FTWWEATUZOTPFC-UHFFFAOYSA-N	-2	0	372.355	-0.011	20	0		FBADRL
O=C([O-])N(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C1CC1	ZINC000834002059	605983304	/nfs/dbraw/zinc/98/33/04/605983304.db2.gz	UBHRFTYKHXTOLO-UHFFFAOYSA-N	-2	0	367.383	-0.080	20	0		FBADRL
O=C([O-])N(CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1	ZINC000834002116	605982178	/nfs/dbraw/zinc/98/21/78/605982178.db2.gz	XBPMGAHEACBPLZ-UHFFFAOYSA-N	-2	0	366.359	-0.390	20	0		FBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000834005458	605882942	/nfs/dbraw/zinc/88/29/42/605882942.db2.gz	DKCVNQBKKLHVRV-GHMZBOCLSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000834005460	605882838	/nfs/dbraw/zinc/88/28/38/605882838.db2.gz	DKCVNQBKKLHVRV-MNOVXSKESA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000834005462	605883700	/nfs/dbraw/zinc/88/37/00/605883700.db2.gz	DKCVNQBKKLHVRV-QWRGUYRKSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000834005466	605883920	/nfs/dbraw/zinc/88/39/20/605883920.db2.gz	DKCVNQBKKLHVRV-WDEREUQCSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)C(=O)C1	ZINC000834006027	605638580	/nfs/dbraw/zinc/63/85/80/605638580.db2.gz	RBLHPQVJHVEMHB-UHFFFAOYSA-N	-2	0	373.362	-0.406	20	0		FBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000834006159	605785365	/nfs/dbraw/zinc/78/53/65/605785365.db2.gz	JGDVRFOMHNJIOG-GHMZBOCLSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000834006161	605785460	/nfs/dbraw/zinc/78/54/60/605785460.db2.gz	JGDVRFOMHNJIOG-MNOVXSKESA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000834006163	605785278	/nfs/dbraw/zinc/78/52/78/605785278.db2.gz	JGDVRFOMHNJIOG-QWRGUYRKSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000834006165	605785103	/nfs/dbraw/zinc/78/51/03/605785103.db2.gz	JGDVRFOMHNJIOG-WDEREUQCSA-N	-2	0	350.393	-0.230	20	0		FBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000834006794	605691548	/nfs/dbraw/zinc/69/15/48/605691548.db2.gz	NWNIGRUIKOWAHH-GHMZBOCLSA-N	-2	0	350.393	-0.372	20	0		FBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000834006795	605691070	/nfs/dbraw/zinc/69/10/70/605691070.db2.gz	NWNIGRUIKOWAHH-MNOVXSKESA-N	-2	0	350.393	-0.372	20	0		FBADRL
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CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000847998279	661256258	/nfs/dbraw/zinc/25/62/58/661256258.db2.gz	RWTJRBZMVSGDFC-UHFFFAOYSA-N	-2	0	372.281	-0.965	20	0		FBADRL
CCCNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849230327	661271410	/nfs/dbraw/zinc/27/14/10/661271410.db2.gz	AZIQSZXXKJFPBO-HTQZYQBOSA-N	-2	0	361.342	-0.173	20	0		FBADRL
CCCNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849230329	661271420	/nfs/dbraw/zinc/27/14/20/661271420.db2.gz	AZIQSZXXKJFPBO-JGVFFNPUSA-N	-2	0	361.342	-0.173	20	0		FBADRL
CCCNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849230331	661271351	/nfs/dbraw/zinc/27/13/51/661271351.db2.gz	AZIQSZXXKJFPBO-SFYZADRCSA-N	-2	0	361.342	-0.173	20	0		FBADRL
CCCNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849230333	661271374	/nfs/dbraw/zinc/27/13/74/661271374.db2.gz	AZIQSZXXKJFPBO-YUMQZZPRSA-N	-2	0	361.342	-0.173	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCCC1	ZINC000849231485	661271342	/nfs/dbraw/zinc/27/13/42/661271342.db2.gz	FBRCIDHSVIOVKD-BDAKNGLRSA-N	-2	0	373.353	-0.077	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCCC1	ZINC000849231486	661271324	/nfs/dbraw/zinc/27/13/24/661271324.db2.gz	FBRCIDHSVIOVKD-DTWKUNHWSA-N	-2	0	373.353	-0.077	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCCC1	ZINC000849231487	661271380	/nfs/dbraw/zinc/27/13/80/661271380.db2.gz	FBRCIDHSVIOVKD-IUCAKERBSA-N	-2	0	373.353	-0.077	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCCC1	ZINC000849231488	661271356	/nfs/dbraw/zinc/27/13/56/661271356.db2.gz	FBRCIDHSVIOVKD-RKDXNWHRSA-N	-2	0	373.353	-0.077	20	0		FBADRL
CCN(C)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849232137	661271388	/nfs/dbraw/zinc/27/13/88/661271388.db2.gz	KTZVMQFWVQLEEU-HTQZYQBOSA-N	-2	0	361.342	-0.221	20	0		FBADRL
CCN(C)S(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849232139	661271428	/nfs/dbraw/zinc/27/14/28/661271428.db2.gz	KTZVMQFWVQLEEU-JGVFFNPUSA-N	-2	0	361.342	-0.221	20	0		FBADRL
CCN(C)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849232141	661271330	/nfs/dbraw/zinc/27/13/30/661271330.db2.gz	KTZVMQFWVQLEEU-SFYZADRCSA-N	-2	0	361.342	-0.221	20	0		FBADRL
CCN(C)S(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849232143	661271439	/nfs/dbraw/zinc/27/14/39/661271439.db2.gz	KTZVMQFWVQLEEU-YUMQZZPRSA-N	-2	0	361.342	-0.221	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1c[nH]cn1	ZINC000849232506	661271591	/nfs/dbraw/zinc/27/15/91/661271591.db2.gz	OAXCHNKQDRUSNO-HTRCEHHLSA-N	-2	0	370.309	-0.306	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1c[nH]cn1	ZINC000849232507	661271699	/nfs/dbraw/zinc/27/16/99/661271699.db2.gz	OAXCHNKQDRUSNO-POYBYMJQSA-N	-2	0	370.309	-0.306	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1c[nH]cn1	ZINC000849232508	661271546	/nfs/dbraw/zinc/27/15/46/661271546.db2.gz	OAXCHNKQDRUSNO-SVRRBLITSA-N	-2	0	370.309	-0.306	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1c[nH]cn1	ZINC000849232509	661271655	/nfs/dbraw/zinc/27/16/55/661271655.db2.gz	OAXCHNKQDRUSNO-XPUUQOCRSA-N	-2	0	370.309	-0.306	20	0		FBADRL
CN(C1CC1)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849232629	661271622	/nfs/dbraw/zinc/27/16/22/661271622.db2.gz	QCVUTFVTEYWYSP-BDAKNGLRSA-N	-2	0	373.353	-0.079	20	0		FBADRL
CN(C1CC1)S(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849232630	661271597	/nfs/dbraw/zinc/27/15/97/661271597.db2.gz	QCVUTFVTEYWYSP-DTWKUNHWSA-N	-2	0	373.353	-0.079	20	0		FBADRL
CN(C1CC1)S(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849232631	661271687	/nfs/dbraw/zinc/27/16/87/661271687.db2.gz	QCVUTFVTEYWYSP-IUCAKERBSA-N	-2	0	373.353	-0.079	20	0		FBADRL
CN(C1CC1)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849232632	661271641	/nfs/dbraw/zinc/27/16/41/661271641.db2.gz	QCVUTFVTEYWYSP-RKDXNWHRSA-N	-2	0	373.353	-0.079	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)[C@H]1CCOC1	ZINC000849232897	661271525	/nfs/dbraw/zinc/27/15/25/661271525.db2.gz	SXRYJCPBGJXCIM-CIUDSAMLSA-N	-2	0	374.337	-0.299	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)[C@@H]1CCOC1	ZINC000849232898	661271674	/nfs/dbraw/zinc/27/16/74/661271674.db2.gz	SXRYJCPBGJXCIM-HLTSFMKQSA-N	-2	0	374.337	-0.299	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)[C@@H]1CCOC1	ZINC000849232899	661271616	/nfs/dbraw/zinc/27/16/16/661271616.db2.gz	SXRYJCPBGJXCIM-VGMNWLOBSA-N	-2	0	374.337	-0.299	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)[C@H]1CCOC1	ZINC000849232900	661271582	/nfs/dbraw/zinc/27/15/82/661271582.db2.gz	SXRYJCPBGJXCIM-YIZRAAEISA-N	-2	0	374.337	-0.299	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)NC1CC1	ZINC000849232926	661271604	/nfs/dbraw/zinc/27/16/04/661271604.db2.gz	UKOWLUALSRNYRR-HTQZYQBOSA-N	-2	0	359.326	-0.421	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)NC1CC1	ZINC000849232927	661271691	/nfs/dbraw/zinc/27/16/91/661271691.db2.gz	UKOWLUALSRNYRR-JGVFFNPUSA-N	-2	0	359.326	-0.421	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)NC1CC1	ZINC000849232928	661271535	/nfs/dbraw/zinc/27/15/35/661271535.db2.gz	UKOWLUALSRNYRR-SFYZADRCSA-N	-2	0	359.326	-0.421	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)NC1CC1	ZINC000849232929	661271660	/nfs/dbraw/zinc/27/16/60/661271660.db2.gz	UKOWLUALSRNYRR-YUMQZZPRSA-N	-2	0	359.326	-0.421	20	0		FBADRL
CC(C)NS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233178	661271705	/nfs/dbraw/zinc/27/17/05/661271705.db2.gz	XLYLEBKSPGREIF-HTQZYQBOSA-N	-2	0	361.342	-0.175	20	0		FBADRL
CC(C)NS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233179	661271571	/nfs/dbraw/zinc/27/15/71/661271571.db2.gz	XLYLEBKSPGREIF-JGVFFNPUSA-N	-2	0	361.342	-0.175	20	0		FBADRL
CC(C)NS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233180	661271541	/nfs/dbraw/zinc/27/15/41/661271541.db2.gz	XLYLEBKSPGREIF-SFYZADRCSA-N	-2	0	361.342	-0.175	20	0		FBADRL
CC(C)NS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233181	661271646	/nfs/dbraw/zinc/27/16/46/661271646.db2.gz	XLYLEBKSPGREIF-YUMQZZPRSA-N	-2	0	361.342	-0.175	20	0		FBADRL
COCCS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233295	661271820	/nfs/dbraw/zinc/27/18/20/661271820.db2.gz	YXPADYXDRUKXAT-HTQZYQBOSA-N	-2	0	362.326	-0.441	20	0		FBADRL
COCCS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233296	661271771	/nfs/dbraw/zinc/27/17/71/661271771.db2.gz	YXPADYXDRUKXAT-JGVFFNPUSA-N	-2	0	362.326	-0.441	20	0		FBADRL
COCCS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233297	661271845	/nfs/dbraw/zinc/27/18/45/661271845.db2.gz	YXPADYXDRUKXAT-SFYZADRCSA-N	-2	0	362.326	-0.441	20	0		FBADRL
COCCS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233298	661271786	/nfs/dbraw/zinc/27/17/86/661271786.db2.gz	YXPADYXDRUKXAT-YUMQZZPRSA-N	-2	0	362.326	-0.441	20	0		FBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000851502811	661295959	/nfs/dbraw/zinc/29/59/59/661295959.db2.gz	VXXSHNQTEFZJNC-UHFFFAOYSA-N	-2	0	364.342	-0.449	20	0		FBADRL
Nc1nccnc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851699653	661299303	/nfs/dbraw/zinc/29/93/03/661299303.db2.gz	FDUUJLOHYQODIR-HTRCEHHLSA-N	-2	0	361.280	-0.205	20	0		FBADRL
Nc1nccnc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851699654	661299285	/nfs/dbraw/zinc/29/92/85/661299285.db2.gz	FDUUJLOHYQODIR-POYBYMJQSA-N	-2	0	361.280	-0.205	20	0		FBADRL
Nc1nccnc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851699655	661299487	/nfs/dbraw/zinc/29/94/87/661299487.db2.gz	FDUUJLOHYQODIR-SVRRBLITSA-N	-2	0	361.280	-0.205	20	0		FBADRL
Nc1nccnc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851699656	661299400	/nfs/dbraw/zinc/29/94/00/661299400.db2.gz	FDUUJLOHYQODIR-XPUUQOCRSA-N	-2	0	361.280	-0.205	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1cncn1	ZINC000851700529	661299355	/nfs/dbraw/zinc/29/93/55/661299355.db2.gz	NZJUUYYSUYGZQG-PSASIEDQSA-N	-2	0	363.296	-0.209	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1cncn1	ZINC000851700530	661299375	/nfs/dbraw/zinc/29/93/75/661299375.db2.gz	NZJUUYYSUYGZQG-SCZZXKLOSA-N	-2	0	363.296	-0.209	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1cncn1	ZINC000851700533	661299427	/nfs/dbraw/zinc/29/94/27/661299427.db2.gz	NZJUUYYSUYGZQG-WCBMZHEXSA-N	-2	0	363.296	-0.209	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1cncn1	ZINC000851700535	661299294	/nfs/dbraw/zinc/29/92/94/661299294.db2.gz	NZJUUYYSUYGZQG-WPRPVWTQSA-N	-2	0	363.296	-0.209	20	0		FBADRL
Cc1c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nnn1C	ZINC000851700782	661299906	/nfs/dbraw/zinc/29/99/06/661299906.db2.gz	CQAMKWGBSNSYHQ-APPZFPTMSA-N	-2	0	363.296	-0.140	20	0		FBADRL
Cc1c(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nnn1C	ZINC000851700784	661299751	/nfs/dbraw/zinc/29/97/51/661299751.db2.gz	CQAMKWGBSNSYHQ-CBAPKCEASA-N	-2	0	363.296	-0.140	20	0		FBADRL
Cc1c(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nnn1C	ZINC000851700785	661299841	/nfs/dbraw/zinc/29/98/41/661299841.db2.gz	CQAMKWGBSNSYHQ-IONNQARKSA-N	-2	0	363.296	-0.140	20	0		FBADRL
Cc1c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nnn1C	ZINC000851700786	661299776	/nfs/dbraw/zinc/29/97/76/661299776.db2.gz	CQAMKWGBSNSYHQ-VXNVDRBHSA-N	-2	0	363.296	-0.140	20	0		FBADRL
COC(=O)NCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851701094	661299783	/nfs/dbraw/zinc/29/97/83/661299783.db2.gz	DRYCZBWLLRNIRS-APPZFPTMSA-N	-2	0	369.296	-0.145	20	0		FBADRL
COC(=O)NCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851701095	661299657	/nfs/dbraw/zinc/29/96/57/661299657.db2.gz	DRYCZBWLLRNIRS-CBAPKCEASA-N	-2	0	369.296	-0.145	20	0		FBADRL
COC(=O)NCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851701096	661299737	/nfs/dbraw/zinc/29/97/37/661299737.db2.gz	DRYCZBWLLRNIRS-IONNQARKSA-N	-2	0	369.296	-0.145	20	0		FBADRL
COC(=O)NCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851701097	661299826	/nfs/dbraw/zinc/29/98/26/661299826.db2.gz	DRYCZBWLLRNIRS-VXNVDRBHSA-N	-2	0	369.296	-0.145	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])S(C)(=O)=O	ZINC000851702224	661299651	/nfs/dbraw/zinc/29/96/51/661299651.db2.gz	LBDWDMVYBCDZKG-BWZBUEFSSA-N	-2	0	374.337	-0.458	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])S(C)(=O)=O	ZINC000851702225	661299768	/nfs/dbraw/zinc/29/97/68/661299768.db2.gz	LBDWDMVYBCDZKG-CSMHCCOUSA-N	-2	0	374.337	-0.458	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])S(C)(=O)=O	ZINC000851702226	661299848	/nfs/dbraw/zinc/29/98/48/661299848.db2.gz	LBDWDMVYBCDZKG-GJMOJQLCSA-N	-2	0	374.337	-0.458	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])S(C)(=O)=O	ZINC000851702227	661300246	/nfs/dbraw/zinc/30/02/46/661300246.db2.gz	LBDWDMVYBCDZKG-PRJMDXOYSA-N	-2	0	374.337	-0.458	20	0		FBADRL
CCS(=O)(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851703549	661300057	/nfs/dbraw/zinc/30/00/57/661300057.db2.gz	PWHKYMQSMJMKKD-APPZFPTMSA-N	-2	0	374.337	-0.456	20	0		FBADRL
CCS(=O)(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851703550	661300070	/nfs/dbraw/zinc/30/00/70/661300070.db2.gz	PWHKYMQSMJMKKD-CBAPKCEASA-N	-2	0	374.337	-0.456	20	0		FBADRL
CCS(=O)(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851703551	661300530	/nfs/dbraw/zinc/30/05/30/661300530.db2.gz	PWHKYMQSMJMKKD-IONNQARKSA-N	-2	0	374.337	-0.456	20	0		FBADRL
CCS(=O)(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851703552	661300634	/nfs/dbraw/zinc/30/06/34/661300634.db2.gz	PWHKYMQSMJMKKD-VXNVDRBHSA-N	-2	0	374.337	-0.456	20	0		FBADRL
O=C([O-])CSCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851703902	661300639	/nfs/dbraw/zinc/30/06/39/661300639.db2.gz	QUXIFAZBDXQOKY-HZGVNTEJSA-N	-2	0	372.321	-0.073	20	0		FBADRL
O=C([O-])CSCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851703903	661300427	/nfs/dbraw/zinc/30/04/27/661300427.db2.gz	QUXIFAZBDXQOKY-IMTBSYHQSA-N	-2	0	372.321	-0.073	20	0		FBADRL
O=C([O-])CSCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851703904	661300481	/nfs/dbraw/zinc/30/04/81/661300481.db2.gz	QUXIFAZBDXQOKY-MUWHJKNJSA-N	-2	0	372.321	-0.073	20	0		FBADRL
O=C([O-])CSCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851703905	661300575	/nfs/dbraw/zinc/30/05/75/661300575.db2.gz	QUXIFAZBDXQOKY-RCOVLWMOSA-N	-2	0	372.321	-0.073	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1ccnn1	ZINC000851704088	661300590	/nfs/dbraw/zinc/30/05/90/661300590.db2.gz	SHSZGAWTVLOENJ-PSASIEDQSA-N	-2	0	363.296	-0.209	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1ccnn1	ZINC000851704089	661300456	/nfs/dbraw/zinc/30/04/56/661300456.db2.gz	SHSZGAWTVLOENJ-SCZZXKLOSA-N	-2	0	363.296	-0.209	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1ccnn1	ZINC000851704090	661300451	/nfs/dbraw/zinc/30/04/51/661300451.db2.gz	SHSZGAWTVLOENJ-WCBMZHEXSA-N	-2	0	363.296	-0.209	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCn1ccnn1	ZINC000851704091	661300644	/nfs/dbraw/zinc/30/06/44/661300644.db2.gz	SHSZGAWTVLOENJ-WPRPVWTQSA-N	-2	0	363.296	-0.209	20	0		FBADRL
CCOC(=O)NCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851704140	661300607	/nfs/dbraw/zinc/30/06/07/661300607.db2.gz	SUYFGBLNSUSSOL-APPZFPTMSA-N	-2	0	369.296	-0.145	20	0		FBADRL
CCOC(=O)NCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851704141	661300415	/nfs/dbraw/zinc/30/04/15/661300415.db2.gz	SUYFGBLNSUSSOL-CBAPKCEASA-N	-2	0	369.296	-0.145	20	0		FBADRL
CCOC(=O)NCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851704142	661300347	/nfs/dbraw/zinc/30/03/47/661300347.db2.gz	SUYFGBLNSUSSOL-IONNQARKSA-N	-2	0	369.296	-0.145	20	0		FBADRL
CCOC(=O)NCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851704143	661300513	/nfs/dbraw/zinc/30/05/13/661300513.db2.gz	SUYFGBLNSUSSOL-VXNVDRBHSA-N	-2	0	369.296	-0.145	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])n1cncn1	ZINC000851704228	661300378	/nfs/dbraw/zinc/30/03/78/661300378.db2.gz	UNOZSMZCLXRYOR-HLTSFMKQSA-N	-2	0	363.296	-0.038	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])n1cncn1	ZINC000851704229	661300506	/nfs/dbraw/zinc/30/05/06/661300506.db2.gz	UNOZSMZCLXRYOR-HRDYMLBCSA-N	-2	0	363.296	-0.038	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])n1cncn1	ZINC000851704230	661300500	/nfs/dbraw/zinc/30/05/00/661300500.db2.gz	UNOZSMZCLXRYOR-IWSPIJDZSA-N	-2	0	363.296	-0.038	20	0		FBADRL
C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])n1cncn1	ZINC000851704231	661300387	/nfs/dbraw/zinc/30/03/87/661300387.db2.gz	UNOZSMZCLXRYOR-VGMNWLOBSA-N	-2	0	363.296	-0.038	20	0		FBADRL
CS(=O)(=O)NCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852735280	661307754	/nfs/dbraw/zinc/30/77/54/661307754.db2.gz	HAMNDGCBAVMGET-HTQZYQBOSA-N	-2	0	361.342	-0.868	20	0		FBADRL
CS(=O)(=O)NCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852735282	661307925	/nfs/dbraw/zinc/30/79/25/661307925.db2.gz	HAMNDGCBAVMGET-JGVFFNPUSA-N	-2	0	361.342	-0.868	20	0		FBADRL
CS(=O)(=O)NCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852735284	661307767	/nfs/dbraw/zinc/30/77/67/661307767.db2.gz	HAMNDGCBAVMGET-SFYZADRCSA-N	-2	0	361.342	-0.868	20	0		FBADRL
CS(=O)(=O)NCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852735285	661307983	/nfs/dbraw/zinc/30/79/83/661307983.db2.gz	HAMNDGCBAVMGET-YUMQZZPRSA-N	-2	0	361.342	-0.868	20	0		FBADRL
CS(=O)(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852958117	661312101	/nfs/dbraw/zinc/31/21/01/661312101.db2.gz	DNXQRXCDXBEVQN-HTRCEHHLSA-N	-2	0	360.310	-0.846	20	0		FBADRL
CS(=O)(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852958118	661311899	/nfs/dbraw/zinc/31/18/99/661311899.db2.gz	DNXQRXCDXBEVQN-POYBYMJQSA-N	-2	0	360.310	-0.846	20	0		FBADRL
CS(=O)(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852958119	661312267	/nfs/dbraw/zinc/31/22/67/661312267.db2.gz	DNXQRXCDXBEVQN-SVRRBLITSA-N	-2	0	360.310	-0.846	20	0		FBADRL
CS(=O)(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852958120	661312381	/nfs/dbraw/zinc/31/23/81/661312381.db2.gz	DNXQRXCDXBEVQN-XPUUQOCRSA-N	-2	0	360.310	-0.846	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CSC(=O)N1	ZINC000852958441	661312367	/nfs/dbraw/zinc/31/23/67/661312367.db2.gz	LKSQMTMUJOYVCH-ACZMJKKPSA-N	-2	0	369.321	-0.066	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CSC(=O)N1	ZINC000852958442	661312293	/nfs/dbraw/zinc/31/22/93/661312293.db2.gz	LKSQMTMUJOYVCH-DSYKOEDSSA-N	-2	0	369.321	-0.066	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CSC(=O)N1	ZINC000852958443	661312222	/nfs/dbraw/zinc/31/22/22/661312222.db2.gz	LKSQMTMUJOYVCH-LYFYHCNISA-N	-2	0	369.321	-0.066	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CSC(=O)N1	ZINC000852958444	661312146	/nfs/dbraw/zinc/31/21/46/661312146.db2.gz	LKSQMTMUJOYVCH-VQVTYTSYSA-N	-2	0	369.321	-0.066	20	0		FBADRL
O=C([O-])COCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852958664	661312387	/nfs/dbraw/zinc/31/23/87/661312387.db2.gz	QKJXBSIYHZCSPI-HZGVNTEJSA-N	-3	0	356.253	-0.790	20	0		FBADRL
O=C([O-])COCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852958665	661312249	/nfs/dbraw/zinc/31/22/49/661312249.db2.gz	QKJXBSIYHZCSPI-IMTBSYHQSA-N	-3	0	356.253	-0.790	20	0		FBADRL
O=C([O-])COCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852958666	661312192	/nfs/dbraw/zinc/31/21/92/661312192.db2.gz	QKJXBSIYHZCSPI-MUWHJKNJSA-N	-3	0	356.253	-0.790	20	0		FBADRL
O=C([O-])COCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852958667	661312307	/nfs/dbraw/zinc/31/23/07/661312307.db2.gz	QKJXBSIYHZCSPI-RCOVLWMOSA-N	-3	0	356.253	-0.790	20	0		FBADRL
CS(=O)(=O)CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852958980	661312138	/nfs/dbraw/zinc/31/21/38/661312138.db2.gz	VJHUCBJXGPMMFP-APPZFPTMSA-N	-2	0	374.337	-0.456	20	0		FBADRL
CS(=O)(=O)CCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852958981	661312345	/nfs/dbraw/zinc/31/23/45/661312345.db2.gz	VJHUCBJXGPMMFP-CBAPKCEASA-N	-2	0	374.337	-0.456	20	0		FBADRL
CS(=O)(=O)CCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852958982	661312417	/nfs/dbraw/zinc/31/24/17/661312417.db2.gz	VJHUCBJXGPMMFP-IONNQARKSA-N	-2	0	374.337	-0.456	20	0		FBADRL
CS(=O)(=O)CCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852958983	661312230	/nfs/dbraw/zinc/31/22/30/661312230.db2.gz	VJHUCBJXGPMMFP-VXNVDRBHSA-N	-2	0	374.337	-0.456	20	0		FBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)OC	ZINC000853207294	661314725	/nfs/dbraw/zinc/31/47/25/661314725.db2.gz	AJSAWIHUIYRLKM-SSDOTTSWSA-N	-2	0	364.342	-0.449	20	0		FBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)OC	ZINC000853207296	661314749	/nfs/dbraw/zinc/31/47/49/661314749.db2.gz	AJSAWIHUIYRLKM-ZETCQYMHSA-N	-2	0	364.342	-0.449	20	0		FBADRL
O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000854610148	661327255	/nfs/dbraw/zinc/32/72/55/661327255.db2.gz	AVIITRWZQQLLKW-UHFFFAOYSA-N	-2	0	369.359	-0.437	20	0		FBADRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccccc1S(=O)(=O)N1CCOCC1	ZINC000854610538	661327331	/nfs/dbraw/zinc/32/73/31/661327331.db2.gz	ISZYNHQOVCKOHH-UHFFFAOYSA-N	-2	0	369.359	-0.906	20	0		FBADRL
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1	ZINC000854610961	661327302	/nfs/dbraw/zinc/32/73/02/661327302.db2.gz	QNUPEIQGQDEPJR-UHFFFAOYSA-N	-2	0	359.339	-0.101	20	0		FBADRL
CC(C)(C)OC(=O)NCCn1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nn1	ZINC000854613306	661327421	/nfs/dbraw/zinc/32/74/21/661327421.db2.gz	WYEPFJBDQHFRPM-UHFFFAOYSA-N	-2	0	354.327	-0.811	20	0		FBADRL
COc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc([N-]S(C)(=O)=O)c1OC	ZINC000854613847	661327478	/nfs/dbraw/zinc/32/74/78/661327478.db2.gz	VRWREXFUINPXOS-UHFFFAOYSA-N	-2	0	373.347	-0.538	20	0		FBADRL
CCn1ncn([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])c1=O	ZINC000854629013	661327654	/nfs/dbraw/zinc/32/76/54/661327654.db2.gz	NMFXXBYRKFRWGW-UHFFFAOYSA-N	-2	0	355.376	-0.596	20	0		FBADRL
CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CC[C@@H](C(=O)[N-]O[C@@H](CO)C(C)C)O1	ZINC000854830770	661331010	/nfs/dbraw/zinc/33/10/10/661331010.db2.gz	VQELFTQEQIWGLT-CRWXNKLISA-N	-2	0	362.423	-0.337	20	0		FBADRL
CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CC[C@H](C(=O)[N-]O[C@H](CO)C(C)C)O1	ZINC000854830771	661330902	/nfs/dbraw/zinc/33/09/02/661330902.db2.gz	VQELFTQEQIWGLT-KPWCQOOUSA-N	-2	0	362.423	-0.337	20	0		FBADRL
CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CC[C@@H](C(=O)[N-]O[C@H](CO)C(C)C)O1	ZINC000854830772	661330949	/nfs/dbraw/zinc/33/09/49/661330949.db2.gz	VQELFTQEQIWGLT-LVEBTZEWSA-N	-2	0	362.423	-0.337	20	0		FBADRL
CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CC[C@@H](C(=O)[N-]O[C@H](CO)C(C)C)O1	ZINC000854830773	661331044	/nfs/dbraw/zinc/33/10/44/661331044.db2.gz	VQELFTQEQIWGLT-XJFOESAGSA-N	-2	0	362.423	-0.337	20	0		FBADRL
CON(CCCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1n[nH]c(C)c1[O-]	ZINC000856014096	661348719	/nfs/dbraw/zinc/34/87/19/661348719.db2.gz	DRMZBFSMNMXICQ-UHFFFAOYSA-N	-2	0	352.351	-0.015	20	0		FBADRL
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000860537126	661385998	/nfs/dbraw/zinc/38/59/98/661385998.db2.gz	KIAFJHYUJLKOEF-UHFFFAOYSA-N	-2	0	372.277	-0.309	20	0		FBADRL
O=C([N-]N1CCOC1=O)C(F)(F)C(F)(F)C(=O)[N-]N1CCOC1=O	ZINC000862701394	661411508	/nfs/dbraw/zinc/41/15/08/661411508.db2.gz	WHQZRFSVMZJHKI-UHFFFAOYSA-N	-2	0	358.204	-0.776	20	0		FBADRL
CC(C)OC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000863416039	661421246	/nfs/dbraw/zinc/42/12/46/661421246.db2.gz	BAMHPBVWHVCMTQ-VIFPVBQESA-N	-2	0	372.359	-0.408	20	0		FBADRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1	ZINC000863951709	661429306	/nfs/dbraw/zinc/42/93/06/661429306.db2.gz	ALIIXPFFZKJEIF-LLVKDONJSA-N	-2	0	351.344	-0.422	20	0		FBADRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1	ZINC000863951710	661429314	/nfs/dbraw/zinc/42/93/14/661429314.db2.gz	ALIIXPFFZKJEIF-NSHDSACASA-N	-2	0	351.344	-0.422	20	0		FBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCC1	ZINC000863952135	661429285	/nfs/dbraw/zinc/42/92/85/661429285.db2.gz	LCOAHJYILUFSCG-UHFFFAOYSA-N	-2	0	351.344	-0.278	20	0		FBADRL
CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000863952149	661429325	/nfs/dbraw/zinc/42/93/25/661429325.db2.gz	LPSQMDIUFXTTLI-AWEZNQCLSA-N	-2	0	365.371	-0.032	20	0		FBADRL
CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000863952150	661429329	/nfs/dbraw/zinc/42/93/29/661429329.db2.gz	LPSQMDIUFXTTLI-CQSZACIVSA-N	-2	0	365.371	-0.032	20	0		FBADRL
CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1	ZINC000863952165	661429339	/nfs/dbraw/zinc/42/93/39/661429339.db2.gz	MKVAMXWJEBWTDO-UHFFFAOYSA-N	-2	0	374.371	-0.161	20	0		FBADRL
CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000863952292	661429312	/nfs/dbraw/zinc/42/93/12/661429312.db2.gz	RAPLAPIOGGBGJB-LLVKDONJSA-N	-2	0	353.360	-0.176	20	0		FBADRL
CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000863952293	661429182	/nfs/dbraw/zinc/42/91/82/661429182.db2.gz	RAPLAPIOGGBGJB-NSHDSACASA-N	-2	0	353.360	-0.176	20	0		FBADRL
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)C1	ZINC000863952432	661429299	/nfs/dbraw/zinc/42/92/99/661429299.db2.gz	WFEWVDDNCCGJRG-VHSXEESVSA-N	-2	0	365.371	-0.032	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c1	ZINC000863952630	661429170	/nfs/dbraw/zinc/42/91/70/661429170.db2.gz	AOSHQPWCTSKGMP-LLVKDONJSA-N	-2	0	365.371	-0.207	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c1	ZINC000863952631	661429323	/nfs/dbraw/zinc/42/93/23/661429323.db2.gz	AOSHQPWCTSKGMP-NSHDSACASA-N	-2	0	365.371	-0.207	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c1	ZINC000863952632	661429345	/nfs/dbraw/zinc/42/93/45/661429345.db2.gz	APEFHTOBBBVBOO-UHFFFAOYSA-N	-2	0	353.360	-0.207	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC000863952724	661429187	/nfs/dbraw/zinc/42/91/87/661429187.db2.gz	DTCMWECTCBXPQS-JTQLQIEISA-N	-2	0	355.372	-0.301	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1	ZINC000863952726	661429570	/nfs/dbraw/zinc/42/95/70/661429570.db2.gz	DTCMWECTCBXPQS-SNVBAGLBSA-N	-2	0	355.372	-0.301	20	0		FBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c1	ZINC000863952848	661429519	/nfs/dbraw/zinc/42/95/19/661429519.db2.gz	FXNYVYYLPSCPEO-UHFFFAOYSA-N	-2	0	365.371	-0.063	20	0		FBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000863952959	661429586	/nfs/dbraw/zinc/42/95/86/661429586.db2.gz	KNOLTJLICHWHSM-UHFFFAOYSA-N	-2	0	368.367	-0.161	20	0		FBADRL
CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000863953459	661429423	/nfs/dbraw/zinc/42/94/23/661429423.db2.gz	PNPMWSNAAJKNKT-JTQLQIEISA-N	-2	0	357.388	-0.055	20	0		FBADRL
CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000863953460	661429605	/nfs/dbraw/zinc/42/96/05/661429605.db2.gz	PNPMWSNAAJKNKT-SNVBAGLBSA-N	-2	0	357.388	-0.055	20	0		FBADRL
CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863953541	661429561	/nfs/dbraw/zinc/42/95/61/661429561.db2.gz	XDTLFXBUQITVFW-UHFFFAOYSA-N	-2	0	374.371	-0.050	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)cc1C(N)=O	ZINC000863953552	661429552	/nfs/dbraw/zinc/42/95/52/661429552.db2.gz	XKYCYSYODBNKJJ-LLVKDONJSA-N	-2	0	357.388	-0.180	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C(N)=O	ZINC000863953554	661429414	/nfs/dbraw/zinc/42/94/14/661429414.db2.gz	XKYCYSYODBNKJJ-NSHDSACASA-N	-2	0	357.388	-0.180	20	0		FBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	ZINC000863953595	661429508	/nfs/dbraw/zinc/42/95/08/661429508.db2.gz	STKNVULERXOKAO-UHFFFAOYSA-N	-2	0	355.372	-0.157	20	0		FBADRL
O=C([O-])CCC(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000863953627	661429484	/nfs/dbraw/zinc/42/94/84/661429484.db2.gz	YGNYIGUIVJGCSH-UHFFFAOYSA-N	-2	0	354.340	-0.407	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1	ZINC000863954196	661429555	/nfs/dbraw/zinc/42/95/55/661429555.db2.gz	QPFTXRNAHORHLT-UHFFFAOYSA-N	-2	0	355.372	-0.085	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1	ZINC000863954207	661429477	/nfs/dbraw/zinc/42/94/77/661429477.db2.gz	RFZKNPRUYUGBLU-LLVKDONJSA-N	-2	0	355.372	-0.229	20	0		FBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000863954208	661429628	/nfs/dbraw/zinc/42/96/28/661429628.db2.gz	RFZKNPRUYUGBLU-NSHDSACASA-N	-2	0	355.372	-0.229	20	0		FBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863955213	661429441	/nfs/dbraw/zinc/42/94/41/661429441.db2.gz	DJZKUGQNDAGBGF-UHFFFAOYSA-N	-2	0	351.377	-0.343	20	0		FBADRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C1CC1	ZINC000863955571	661429460	/nfs/dbraw/zinc/42/94/60/661429460.db2.gz	QGIVCIIVLXDJRF-GFCCVEGCSA-N	-2	0	352.368	-0.112	20	0		FBADRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C1CC1	ZINC000863955572	661429529	/nfs/dbraw/zinc/42/95/29/661429529.db2.gz	QGIVCIIVLXDJRF-LBPRGKRZSA-N	-2	0	352.368	-0.112	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863956229	661429711	/nfs/dbraw/zinc/42/97/11/661429711.db2.gz	LCEOKINRBGFKDA-UHFFFAOYSA-N	-2	0	361.372	-0.127	20	0		FBADRL
O=C([O-])CCC(=O)[N-]S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000863956553	661429816	/nfs/dbraw/zinc/42/98/16/661429816.db2.gz	AMKJMCCNOMZDMY-UHFFFAOYSA-N	-2	0	368.367	-0.017	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1	ZINC000863956637	661429786	/nfs/dbraw/zinc/42/97/86/661429786.db2.gz	QXNBJYCLTFKKKF-UHFFFAOYSA-N	-2	0	359.356	-0.333	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000863956740	661429804	/nfs/dbraw/zinc/42/98/04/661429804.db2.gz	SMAFSVRBDACHNC-UHFFFAOYSA-N	-2	0	361.372	-0.127	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)s1	ZINC000863956916	661429736	/nfs/dbraw/zinc/42/97/36/661429736.db2.gz	IKWNJKUMSIGZLZ-LLVKDONJSA-N	-2	0	362.389	-0.198	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)s1	ZINC000863956919	661429791	/nfs/dbraw/zinc/42/97/91/661429791.db2.gz	IKWNJKUMSIGZLZ-NSHDSACASA-N	-2	0	362.389	-0.198	20	0		FBADRL
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-]	ZINC000863956997	661429845	/nfs/dbraw/zinc/42/98/45/661429845.db2.gz	IZYFRJKFMRRXKP-UHFFFAOYSA-N	-2	0	364.763	-0.126	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)s1	ZINC000863957154	661429683	/nfs/dbraw/zinc/42/96/83/661429683.db2.gz	KLDIVJSQKFVPPI-UHFFFAOYSA-N	-2	0	362.389	-0.054	20	0		FBADRL
O=C([O-])CCC(=O)[N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1	ZINC000863957271	661429702	/nfs/dbraw/zinc/42/97/02/661429702.db2.gz	VCMGNDNUPVLNEI-UHFFFAOYSA-N	-2	0	367.376	-0.090	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)s1	ZINC000863957422	661429744	/nfs/dbraw/zinc/42/97/44/661429744.db2.gz	OHCXLUKZFFOERT-RQJHMYQMSA-N	-2	0	362.389	-0.198	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1	ZINC000863957769	661429729	/nfs/dbraw/zinc/42/97/29/661429729.db2.gz	HTBDMXAGNDONSH-UHFFFAOYSA-N	-2	0	372.277	-0.071	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)s1	ZINC000863957800	661429796	/nfs/dbraw/zinc/42/97/96/661429796.db2.gz	STOJLDHIXQCSLQ-LURJTMIESA-N	-2	0	350.378	-0.342	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)s1	ZINC000863957801	661429667	/nfs/dbraw/zinc/42/96/67/661429667.db2.gz	STOJLDHIXQCSLQ-ZCFIWIBFSA-N	-2	0	350.378	-0.342	20	0		FBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)s1	ZINC000863958036	661429651	/nfs/dbraw/zinc/42/96/51/661429651.db2.gz	XVPTUADIRPCAPE-UHFFFAOYSA-N	-2	0	360.373	-0.278	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCC3)cc2n(C)c1=O	ZINC000863958503	661429829	/nfs/dbraw/zinc/42/98/29/661429829.db2.gz	ASSUZJNEMWQVRU-UHFFFAOYSA-N	-2	0	367.383	-0.063	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc2n(C)c1=O	ZINC000863958611	661429672	/nfs/dbraw/zinc/42/96/72/661429672.db2.gz	DVALONNSFRVIJB-UHFFFAOYSA-N	-2	0	355.372	-0.207	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C3CC3)cc2n(C)c1=O	ZINC000863958789	661429793	/nfs/dbraw/zinc/42/97/93/661429793.db2.gz	KNMLNDMRSIVLRP-GFCCVEGCSA-N	-2	0	367.383	-0.207	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C3CC3)cc2n(C)c1=O	ZINC000863958790	661429771	/nfs/dbraw/zinc/42/97/71/661429771.db2.gz	KNMLNDMRSIVLRP-LBPRGKRZSA-N	-2	0	367.383	-0.207	20	0		FBADRL
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863958828	661429721	/nfs/dbraw/zinc/42/97/21/661429721.db2.gz	LDFVIIJEIZFZEG-NXEZZACHSA-N	-2	0	365.404	-0.099	20	0		FBADRL
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863958829	661430044	/nfs/dbraw/zinc/43/00/44/661430044.db2.gz	LDFVIIJEIZFZEG-UWVGGRQHSA-N	-2	0	365.404	-0.099	20	0		FBADRL
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863958830	661430032	/nfs/dbraw/zinc/43/00/32/661430032.db2.gz	LDFVIIJEIZFZEG-VHSXEESVSA-N	-2	0	365.404	-0.099	20	0		FBADRL
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863958831	661429974	/nfs/dbraw/zinc/42/99/74/661429974.db2.gz	LDFVIIJEIZFZEG-ZJUUUORDSA-N	-2	0	365.404	-0.099	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc2n(C)c1=O	ZINC000863959029	661430002	/nfs/dbraw/zinc/43/00/02/661430002.db2.gz	QVNXFSXSTOYOEQ-UHFFFAOYSA-N	-2	0	373.412	-0.500	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCC3)cc2C1=O	ZINC000863959370	661429946	/nfs/dbraw/zinc/42/99/46/661429946.db2.gz	BRPDDMDMSIUGKI-UHFFFAOYSA-N	-2	0	366.351	-0.028	20	0		FBADRL
COc1c(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c(C)nn1C	ZINC000863959508	661429979	/nfs/dbraw/zinc/42/99/79/661429979.db2.gz	HHOARZZHIISRTG-UHFFFAOYSA-N	-2	0	355.332	-0.656	20	0		FBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cnn(CC3CC3)c2)cn1	ZINC000863959645	661430033	/nfs/dbraw/zinc/43/00/33/661430033.db2.gz	LXESOMUYZWXKNH-UHFFFAOYSA-N	-2	0	351.344	-0.100	20	0		FBADRL
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1F	ZINC000863959838	661429933	/nfs/dbraw/zinc/42/99/33/661429933.db2.gz	PNFOEHKTNQKQLF-UHFFFAOYSA-N	-2	0	367.282	-0.343	20	0		FBADRL
COc1cc(OC)c(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c(OC)c1	ZINC000863959848	661429959	/nfs/dbraw/zinc/42/99/59/661429959.db2.gz	PQTLBKLXASLUCY-UHFFFAOYSA-N	-2	0	363.344	-0.382	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C3CC3)cc2C1=O	ZINC000863959860	661429982	/nfs/dbraw/zinc/42/99/82/661429982.db2.gz	PYNVSNTVYLZMON-LLVKDONJSA-N	-2	0	366.351	-0.172	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C3CC3)cc2C1=O	ZINC000863959861	661430031	/nfs/dbraw/zinc/43/00/31/661430031.db2.gz	PYNVSNTVYLZMON-NSHDSACASA-N	-2	0	366.351	-0.172	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc2C1=O	ZINC000863959891	661430039	/nfs/dbraw/zinc/43/00/39/661430039.db2.gz	QZXPYSYMPHLRBQ-UHFFFAOYSA-N	-2	0	354.340	-0.172	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2	ZINC000863960032	661429984	/nfs/dbraw/zinc/42/99/84/661429984.db2.gz	SNRADNWSCDDQSX-UHFFFAOYSA-N	-2	0	356.356	-0.133	20	0		FBADRL
COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863960230	661430047	/nfs/dbraw/zinc/43/00/47/661430047.db2.gz	XFXLWVODNIHQQQ-UHFFFAOYSA-N	-2	0	365.335	-0.243	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000863960710	661430006	/nfs/dbraw/zinc/43/00/06/661430006.db2.gz	ABUNOSGGTXMPMW-UHFFFAOYSA-N	-2	0	360.319	-0.384	20	0		FBADRL
COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C	ZINC000863960844	661430019	/nfs/dbraw/zinc/43/00/19/661430019.db2.gz	BHOZSZUCQSWZFM-LLVKDONJSA-N	-2	0	358.372	-0.044	20	0		FBADRL
COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000863960845	661429948	/nfs/dbraw/zinc/42/99/48/661429948.db2.gz	BHOZSZUCQSWZFM-NSHDSACASA-N	-2	0	358.372	-0.044	20	0		FBADRL
CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1	ZINC000863961134	661430030	/nfs/dbraw/zinc/43/00/30/661430030.db2.gz	IPXCODFUYDUKRC-UHFFFAOYSA-N	-2	0	360.413	-0.190	20	0		FBADRL
COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	ZINC000863961247	661430034	/nfs/dbraw/zinc/43/00/34/661430034.db2.gz	IXIQKWXDGJHVRI-UHFFFAOYSA-N	-2	0	356.356	-0.146	20	0		FBADRL
COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1	ZINC000863961255	661429967	/nfs/dbraw/zinc/42/99/67/661429967.db2.gz	JFXAOEMVJZUOQA-LLVKDONJSA-N	-2	0	356.356	-0.290	20	0		FBADRL
COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC000863961256	661429928	/nfs/dbraw/zinc/42/99/28/661429928.db2.gz	JFXAOEMVJZUOQA-NSHDSACASA-N	-2	0	356.356	-0.290	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])CC1	ZINC000863961263	661429961	/nfs/dbraw/zinc/42/99/61/661429961.db2.gz	JMIMFGQMRGRYAI-UHFFFAOYSA-N	-2	0	352.365	-0.846	20	0		FBADRL
Cc1nc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c(Br)n1C	ZINC000863961595	661430274	/nfs/dbraw/zinc/43/02/74/661430274.db2.gz	NSMWDMUDJUNGAE-UHFFFAOYSA-N	-2	0	370.181	-0.603	20	0		FBADRL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])s1	ZINC000863961631	661430203	/nfs/dbraw/zinc/43/02/03/661430203.db2.gz	SWWCQTAOBYWEJZ-UHFFFAOYSA-N	-2	0	353.403	-0.276	20	0		FBADRL
CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])CC1	ZINC000863961700	661430235	/nfs/dbraw/zinc/43/02/35/661430235.db2.gz	QOAINQALKOAODL-UHFFFAOYSA-N	-2	0	368.433	-0.129	20	0		FBADRL
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863962220	661430188	/nfs/dbraw/zinc/43/01/88/661430188.db2.gz	WEXXNXCDZDFEKP-JTQLQIEISA-N	-2	0	359.360	-0.034	20	0		FBADRL
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863962222	661430343	/nfs/dbraw/zinc/43/03/43/661430343.db2.gz	WEXXNXCDZDFEKP-SNVBAGLBSA-N	-2	0	359.360	-0.034	20	0		FBADRL
Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc12	ZINC000863962367	661430337	/nfs/dbraw/zinc/43/03/37/661430337.db2.gz	IWMYIBZDRSPBGT-UHFFFAOYSA-N	-2	0	358.401	-0.101	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)CCNC(=O)OCc1ccccc1	ZINC000863962427	661430279	/nfs/dbraw/zinc/43/02/79/661430279.db2.gz	LCEBJKGCXGNXMM-UHFFFAOYSA-N	-2	0	374.371	-0.540	20	0		FBADRL
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863962610	661430186	/nfs/dbraw/zinc/43/01/86/661430186.db2.gz	QJIJRZXHXYGGAK-UHFFFAOYSA-N	-2	0	365.404	-0.097	20	0		FBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)cn1	ZINC000863962755	661430194	/nfs/dbraw/zinc/43/01/94/661430194.db2.gz	WFUHANIZJGDSOZ-UHFFFAOYSA-N	-2	0	353.316	-0.728	20	0		FBADRL
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1	ZINC000863962938	661430261	/nfs/dbraw/zinc/43/02/61/661430261.db2.gz	CGQUSQTZXYFSEK-VHSXEESVSA-N	-2	0	365.371	-0.032	20	0		FBADRL
CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000863962950	661430161	/nfs/dbraw/zinc/43/01/61/661430161.db2.gz	CWAHDVITRFEYDY-AWEZNQCLSA-N	-2	0	365.371	-0.032	20	0		FBADRL
CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000863962951	661430288	/nfs/dbraw/zinc/43/02/88/661430288.db2.gz	CWAHDVITRFEYDY-CQSZACIVSA-N	-2	0	365.371	-0.032	20	0		FBADRL
CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000863963003	661430269	/nfs/dbraw/zinc/43/02/69/661430269.db2.gz	FXYGQSPDJFKUAV-LLVKDONJSA-N	-2	0	353.360	-0.176	20	0		FBADRL
CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000863963004	661430273	/nfs/dbraw/zinc/43/02/73/661430273.db2.gz	FXYGQSPDJFKUAV-NSHDSACASA-N	-2	0	353.360	-0.176	20	0		FBADRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1	ZINC000863963104	661430272	/nfs/dbraw/zinc/43/02/72/661430272.db2.gz	JXTSFIFOIJKIQS-LLVKDONJSA-N	-2	0	351.344	-0.422	20	0		FBADRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CC1	ZINC000863963105	661430208	/nfs/dbraw/zinc/43/02/08/661430208.db2.gz	JXTSFIFOIJKIQS-NSHDSACASA-N	-2	0	351.344	-0.422	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2	ZINC000863963166	661430152	/nfs/dbraw/zinc/43/01/52/661430152.db2.gz	MQGVDIRCIUAARO-UHFFFAOYSA-N	-2	0	353.255	-0.086	20	0		FBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)CCC1	ZINC000863963219	661430295	/nfs/dbraw/zinc/43/02/95/661430295.db2.gz	PBRYFHDKSYHEFD-UHFFFAOYSA-N	-2	0	351.344	-0.278	20	0		FBADRL
COC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1F	ZINC000863963372	661430233	/nfs/dbraw/zinc/43/02/33/661430233.db2.gz	UKPLGUUUBGDVGI-UHFFFAOYSA-N	-2	0	363.319	-0.553	20	0		FBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1	ZINC000863963784	661430168	/nfs/dbraw/zinc/43/01/68/661430168.db2.gz	GZLZRKUKNIGUJA-MRVPVSSYSA-N	-2	0	367.343	-0.549	20	0		FBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cn1	ZINC000863963785	661430303	/nfs/dbraw/zinc/43/03/03/661430303.db2.gz	GZLZRKUKNIGUJA-QMMMGPOBSA-N	-2	0	367.343	-0.549	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1nc(Br)cs1	ZINC000863963823	661430239	/nfs/dbraw/zinc/43/02/39/661430239.db2.gz	HZOLCSDFIQVSSF-UHFFFAOYSA-N	-2	0	359.179	-0.188	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccccc1NC(=O)C1CC1	ZINC000863964104	661430326	/nfs/dbraw/zinc/43/03/26/661430326.db2.gz	NONYTOUVTJMKHW-UHFFFAOYSA-N	-2	0	356.356	-0.059	20	0		FBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863964318	661430245	/nfs/dbraw/zinc/43/02/45/661430245.db2.gz	HNNSYMHKCXCUIL-UHFFFAOYSA-N	-2	0	353.393	-0.635	20	0		FBADRL
COC(=O)c1oc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1C	ZINC000863964494	661430229	/nfs/dbraw/zinc/43/02/29/661430229.db2.gz	KUOGOMLFQGEFNU-UHFFFAOYSA-N	-2	0	351.358	-0.003	20	0		FBADRL
CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-]	ZINC000863964711	661430485	/nfs/dbraw/zinc/43/04/85/661430485.db2.gz	MVYYKJZUTRNCCX-UHFFFAOYSA-N	-2	0	350.374	-0.455	20	0		FBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1)OC	ZINC000863964733	661430496	/nfs/dbraw/zinc/43/04/96/661430496.db2.gz	NKIMKCGTBZNCMC-GFCCVEGCSA-N	-2	0	361.372	-0.129	20	0		FBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1)OC	ZINC000863964734	661430521	/nfs/dbraw/zinc/43/05/21/661430521.db2.gz	NKIMKCGTBZNCMC-LBPRGKRZSA-N	-2	0	361.372	-0.129	20	0		FBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863964970	661430488	/nfs/dbraw/zinc/43/04/88/661430488.db2.gz	QIXVBRHCLKUUEO-UHFFFAOYSA-N	-2	0	361.372	-0.129	20	0		FBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000863964971	661430545	/nfs/dbraw/zinc/43/05/45/661430545.db2.gz	QIZAYYWXIREGMZ-UHFFFAOYSA-N	-2	0	361.372	-0.129	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c(C)o1	ZINC000863965039	661430597	/nfs/dbraw/zinc/43/05/97/661430597.db2.gz	CUCCLMOFKJSLBP-UHFFFAOYSA-N	-2	0	351.358	-0.003	20	0		FBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1)OC	ZINC000863965474	661430593	/nfs/dbraw/zinc/43/05/93/661430593.db2.gz	XTCMVQGSRUGCMP-GFCCVEGCSA-N	-2	0	361.372	-0.129	20	0		FBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1)OC	ZINC000863965475	661430503	/nfs/dbraw/zinc/43/05/03/661430503.db2.gz	XTCMVQGSRUGCMP-LBPRGKRZSA-N	-2	0	361.372	-0.129	20	0		FBADRL
CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	ZINC000863965477	661430554	/nfs/dbraw/zinc/43/05/54/661430554.db2.gz	XTTOKVFTENTIKM-UHFFFAOYSA-N	-2	0	364.401	-0.209	20	0		FBADRL
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])ccc21	ZINC000863965587	661430563	/nfs/dbraw/zinc/43/05/63/661430563.db2.gz	JBEMVMYOHFAGOJ-UHFFFAOYSA-N	-2	0	360.369	-0.494	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)Cc1ncsc1Br	ZINC000863966117	661430490	/nfs/dbraw/zinc/43/04/90/661430490.db2.gz	WTNCCWZBSHOZIC-UHFFFAOYSA-N	-2	0	373.206	-0.047	20	0		FBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2	ZINC000863966421	661430550	/nfs/dbraw/zinc/43/05/50/661430550.db2.gz	ZYDKGQCRSZUYAH-UHFFFAOYSA-N	-2	0	353.255	-0.086	20	0		FBADRL
COC[C@@H]1CCCN1[N-]C(=O)C(F)(F)C(=O)[N-]N1CCC[C@H]1COC	ZINC000866025315	661442409	/nfs/dbraw/zinc/44/24/09/661442409.db2.gz	QCTWGFNLQANEOH-RYUDHWBXSA-N	-2	0	364.393	-0.094	20	0		FBADRL
COC[C@H]1CCCN1[N-]C(=O)C(F)(F)C(=O)[N-]N1CCC[C@@H]1COC	ZINC000866025317	661442057	/nfs/dbraw/zinc/44/20/57/661442057.db2.gz	QCTWGFNLQANEOH-VXGBXAGGSA-N	-2	0	364.393	-0.094	20	0		FBADRL
CO[C@H]1CCCN([N-]C(=O)C(F)(F)C(=O)[N-]N2CCC[C@H](OC)C2)C1	ZINC000902926388	662330183	/nfs/dbraw/zinc/33/01/83/662330183.db2.gz	TWKGPBURLMIQMS-RYUDHWBXSA-N	-2	0	364.393	-0.094	20	0		FBADRL
CO[C@@H]1CCCN([N-]C(=O)C(F)(F)C(=O)[N-]N2CCC[C@@H](OC)C2)C1	ZINC000902926390	662329963	/nfs/dbraw/zinc/32/99/63/662329963.db2.gz	TWKGPBURLMIQMS-VXGBXAGGSA-N	-2	0	364.393	-0.094	20	0		FBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1	ZINC000912532047	660087870	/nfs/dbraw/zinc/08/78/70/660087870.db2.gz	RYLSCQTWPMTELO-UHFFFAOYSA-N	-2	0	365.331	-0.322	20	0		FBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000912557930	660089250	/nfs/dbraw/zinc/08/92/50/660089250.db2.gz	IZHJELDLFZRCJK-SSDOTTSWSA-N	-2	0	363.348	-0.509	20	0		FBADRL
COC(=O)c1cn[n-]c1S(=O)(=O)N=c1nc(C(F)(F)F)[n-]n1C	ZINC000912560837	660088368	/nfs/dbraw/zinc/08/83/68/660088368.db2.gz	YVWKYSLDOURTRS-UHFFFAOYSA-N	-2	0	354.270	-0.434	20	0		FBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C)C(=O)[O-]	ZINC000914688883	660140725	/nfs/dbraw/zinc/14/07/25/660140725.db2.gz	JHMWTNQCFDCTMO-QMMMGPOBSA-N	-2	0	361.328	-0.307	20	0		FBADRL
C[C@H](NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-]	ZINC000914746267	660141136	/nfs/dbraw/zinc/14/11/36/660141136.db2.gz	LVXWCOLQLGNALR-DTWKUNHWSA-N	-2	0	356.356	-0.125	20	0		FBADRL
C[C@H](NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)C(=O)[O-]	ZINC000914746268	660141036	/nfs/dbraw/zinc/14/10/36/660141036.db2.gz	LVXWCOLQLGNALR-IUCAKERBSA-N	-2	0	356.356	-0.125	20	0		FBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000915186119	660147051	/nfs/dbraw/zinc/14/70/51/660147051.db2.gz	JZZJXYAWOBLYDW-JTQLQIEISA-N	-3	0	361.328	-0.254	20	0		FBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-]	ZINC000915187036	660147067	/nfs/dbraw/zinc/14/70/67/660147067.db2.gz	KSYRKDDBHSHKCO-JTQLQIEISA-N	-2	0	361.328	-0.555	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000916102362	660179461	/nfs/dbraw/zinc/17/94/61/660179461.db2.gz	GLHXHIKOANVOHH-UHFFFAOYSA-N	-2	0	350.736	-0.483	20	0		FBADRL
CC(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000916106264	660179539	/nfs/dbraw/zinc/17/95/39/660179539.db2.gz	DLAJDMQTBXXIJE-GFCCVEGCSA-N	-2	0	358.372	-0.112	20	0		FBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000916106281	660179503	/nfs/dbraw/zinc/17/95/03/660179503.db2.gz	KWKCVDIXQWGPAH-MRVPVSSYSA-N	-3	0	361.328	-0.010	20	0		FBADRL
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000916567476	660181197	/nfs/dbraw/zinc/18/11/97/660181197.db2.gz	JBRCQJSCOKXVRS-UHFFFAOYSA-N	-2	0	358.372	-0.014	20	0		FBADRL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000916575084	660181187	/nfs/dbraw/zinc/18/11/87/660181187.db2.gz	WSUYTKJFMJPJOH-UHFFFAOYSA-N	-2	0	370.383	-0.014	20	0		FBADRL
COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C(=O)[O-]	ZINC000917716403	660192624	/nfs/dbraw/zinc/19/26/24/660192624.db2.gz	OMTZLYDLQMZEHU-VIFPVBQESA-N	-3	0	361.328	-0.010	20	0		FBADRL
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000917721819	660192651	/nfs/dbraw/zinc/19/26/51/660192651.db2.gz	IZOZEKQAGNJNJA-UHFFFAOYSA-N	-2	0	358.372	-0.013	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000917721878	660192669	/nfs/dbraw/zinc/19/26/69/660192669.db2.gz	LATUZIZANTUKQH-UHFFFAOYSA-N	-2	0	356.356	-0.647	20	0		FBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2	ZINC000917721887	660192654	/nfs/dbraw/zinc/19/26/54/660192654.db2.gz	LJTJFYINGHBBMM-UHFFFAOYSA-N	-2	0	370.383	-0.257	20	0		FBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000917729496	660192690	/nfs/dbraw/zinc/19/26/90/660192690.db2.gz	HVKODCMVSHFPII-VIFPVBQESA-N	-2	0	361.328	-0.312	20	0		FBADRL
NC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)C(=O)[O-]	ZINC000917846378	660193157	/nfs/dbraw/zinc/19/31/57/660193157.db2.gz	POBZKVQHBOHLQX-JTQLQIEISA-N	-2	0	356.356	-0.520	20	0		FBADRL
NC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2)C(=O)[O-]	ZINC000917846421	660193151	/nfs/dbraw/zinc/19/31/51/660193151.db2.gz	QJINPFRZIDTEGS-NSHDSACASA-N	-2	0	370.383	-0.130	20	0		FBADRL
O=C([O-])c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])ccc1Br	ZINC000918065008	660194227	/nfs/dbraw/zinc/19/42/27/660194227.db2.gz	KYVCPBQFSJFKHY-MRVPVSSYSA-N	-2	0	368.161	-0.129	20	0		FBADRL
O=C([O-])c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1Br	ZINC000918065009	660194288	/nfs/dbraw/zinc/19/42/88/660194288.db2.gz	KYVCPBQFSJFKHY-QMMMGPOBSA-N	-2	0	368.161	-0.129	20	0		FBADRL
O=C([O-])c1ccc(Br)c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1	ZINC000918065664	660194260	/nfs/dbraw/zinc/19/42/60/660194260.db2.gz	WPRJDYIHUZBUPF-SSDOTTSWSA-N	-2	0	368.161	-0.129	20	0		FBADRL
O=C([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC000918065667	660194196	/nfs/dbraw/zinc/19/41/96/660194196.db2.gz	WPRJDYIHUZBUPF-ZETCQYMHSA-N	-2	0	368.161	-0.129	20	0		FBADRL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000919954168	660206324	/nfs/dbraw/zinc/20/63/24/660206324.db2.gz	GLVSBMHSPPAQFJ-QMMMGPOBSA-N	-3	0	361.328	-0.472	20	0		FBADRL
CN(C1CCOCC1)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC001116661833	842962321	/nfs/dbraw/zinc/96/23/21/842962321.db2.gz	BZRVRSODSANGKO-CYBMUJFWSA-N	-2	0	350.393	-0.407	20	0		FBADRL
CN(C1CCOCC1)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC001116661834	842962490	/nfs/dbraw/zinc/96/24/90/842962490.db2.gz	BZRVRSODSANGKO-ZDUSSCGKSA-N	-2	0	350.393	-0.407	20	0		FBADRL
CN(C1CCOCC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC001116685629	842965433	/nfs/dbraw/zinc/96/54/33/842965433.db2.gz	HIOQGCRWBABNSH-GHMZBOCLSA-N	-2	0	350.393	-0.551	20	0		FBADRL
CN(C1CCOCC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001116685735	842965216	/nfs/dbraw/zinc/96/52/16/842965216.db2.gz	HIOQGCRWBABNSH-MNOVXSKESA-N	-2	0	350.393	-0.551	20	0		FBADRL
CN(C1CCOCC1)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC001116685736	842965078	/nfs/dbraw/zinc/96/50/78/842965078.db2.gz	HIOQGCRWBABNSH-QWRGUYRKSA-N	-2	0	350.393	-0.551	20	0		FBADRL
CN(C1CCOCC1)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC001116685738	842965399	/nfs/dbraw/zinc/96/53/99/842965399.db2.gz	HIOQGCRWBABNSH-WDEREUQCSA-N	-2	0	350.393	-0.551	20	0		FBADRL
Cc1[nH]nc(I)c1C(=O)[N-]n1c(=O)[n-][nH]c1=O	ZINC001141573803	843694842	/nfs/dbraw/zinc/69/48/42/843694842.db2.gz	PREODKKLOCJSLW-UHFFFAOYSA-N	-2	0	350.076	-0.291	20	0		FBADRL
Cn1cc(I)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)n1	ZINC001141573943	843694737	/nfs/dbraw/zinc/69/47/37/843694737.db2.gz	VSCWRGCLLGWOLW-UHFFFAOYSA-N	-2	0	350.076	-0.589	20	0		FBADRL
Cc1ccc(S(=O)(=O)NCC(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001143072775	843722881	/nfs/dbraw/zinc/72/28/81/843722881.db2.gz	UTZGKXGKOGTADX-UHFFFAOYSA-N	-2	0	352.305	-0.501	20	0		FBADRL
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCCC[P@@](=O)([O-])O	ZINC001146246155	839910135	/nfs/dbraw/zinc/91/01/35/839910135.db2.gz	XPUHEOJADDDOLS-UHFFFAOYSA-N	-2	0	367.339	-0.299	20	0		FBADRL
CC(C)(C)OC(=O)N[C@H](C(=O)NCCOP(=O)([O-])[O-])C(C)(C)O	ZINC001146279642	839915064	/nfs/dbraw/zinc/91/50/64/839915064.db2.gz	YVGVOUBFGKVSHO-MRVPVSSYSA-N	-2	0	356.312	-0.124	20	0		FBADRL
NS(=O)(=O)c1cc(C(=O)NCCOP(=O)([O-])[O-])ccc1Cl	ZINC001148373461	839952485	/nfs/dbraw/zinc/95/24/85/839952485.db2.gz	YJYRUNSJALUAMH-UHFFFAOYSA-N	-2	0	358.696	-0.174	20	0		FBADRL
NS(=O)(=O)c1cncc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1	ZINC001148916768	839956371	/nfs/dbraw/zinc/95/63/71/839956371.db2.gz	DXRRRCSROYNBJB-UHFFFAOYSA-N	-2	0	373.368	-0.066	20	0		FBADRL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148928160	839957965	/nfs/dbraw/zinc/95/79/65/839957965.db2.gz	WVGMPHZFMLWTOX-VIFPVBQESA-N	-2	0	361.328	-0.225	20	0		FBADRL
Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148933923	839957281	/nfs/dbraw/zinc/95/72/81/839957281.db2.gz	OMCQHKQSTHMGFD-UHFFFAOYSA-N	-2	0	350.312	-0.101	20	0		FBADRL
O=C(NCCOP(=O)([O-])[O-])c1nc2c(=O)[nH]c3ccccc3n2n1	ZINC001149839828	843735984	/nfs/dbraw/zinc/73/59/84/843735984.db2.gz	ZTQMIUXKNFDANR-UHFFFAOYSA-N	-2	0	353.231	-0.590	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001150802463	843746042	/nfs/dbraw/zinc/74/60/42/843746042.db2.gz	DBDFBQTVZGGGCW-SFYZADRCSA-N	-2	0	350.301	-0.197	20	0		FBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001150802472	843746254	/nfs/dbraw/zinc/74/62/54/843746254.db2.gz	DBDFBQTVZGGGCW-YUMQZZPRSA-N	-2	0	350.301	-0.197	20	0		FBADRL
O=C(NCc1nc(=O)o[n-]1)c1cnc(I)c([O-])c1	ZINC001151977394	843758494	/nfs/dbraw/zinc/75/84/94/843758494.db2.gz	HSFWSPIRDCFEGD-UHFFFAOYSA-N	-2	0	362.083	-0.002	20	0		FBADRL
CCn1c2ccc(C(=O)NCCOP(=O)([O-])[O-])cc2[nH]c(=O)c1=O	ZINC001154258194	843788648	/nfs/dbraw/zinc/78/86/48/843788648.db2.gz	HIKIQRBFIAUCPO-UHFFFAOYSA-N	-2	0	357.259	-0.451	20	0		FBADRL
CC(=O)[N-]S(=O)(=O)c1ccc(NCC[N-]C(=O)C(F)(F)F)nc1	ZINC001156205633	843819352	/nfs/dbraw/zinc/81/93/52/843819352.db2.gz	QRDMCKXSMKJQNO-UHFFFAOYSA-N	-2	0	354.310	-0.003	20	0		FBADRL
Cn1cnc2c1nc(NCCOP(=O)([O-])[O-])nc2N1CCOCC1	ZINC001157787857	843847724	/nfs/dbraw/zinc/84/77/24/843847724.db2.gz	SCRKXJXJKACAOD-UHFFFAOYSA-N	-2	0	358.295	-0.279	20	0		FBADRL
O=P([O-])([O-])OCCNc1ncccc1S(=O)(=O)N1CCOCC1	ZINC001157790611	843847905	/nfs/dbraw/zinc/84/79/05/843847905.db2.gz	BPPICRRGNSMGHO-UHFFFAOYSA-N	-2	0	367.320	-0.376	20	0		FBADRL
COc1nc(NCCOP(=O)([O-])[O-])nc(N2CCn3ccnc3C2)n1	ZINC001157795655	843847886	/nfs/dbraw/zinc/84/78/86/843847886.db2.gz	JQJYQPVZAHPUKQ-UHFFFAOYSA-N	-2	0	371.294	-0.960	20	0		FBADRL
COC(=O)c1cc(S(N)(=O)=O)cnc1NCCOP(=O)([O-])[O-]	ZINC001157795668	839496198	/nfs/dbraw/zinc/49/61/98/839496198.db2.gz	KKLDNEQNUARAGM-UHFFFAOYSA-N	-2	0	355.265	-0.963	20	0		FBADRL
O=P([O-])([O-])OCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1	ZINC001157795816	843847826	/nfs/dbraw/zinc/84/78/26/843847826.db2.gz	MHFZSZURTLMVTH-UHFFFAOYSA-N	-2	0	367.320	-0.376	20	0		FBADRL
CCOC(=O)c1cnc([S@@](C)=O)nc1NCCOP(=O)([O-])[O-]	ZINC001157796011	839496289	/nfs/dbraw/zinc/49/62/89/839496289.db2.gz	RAOFJOPLGJHZGA-JOCHJYFZSA-N	-2	0	353.293	-0.088	20	0		FBADRL
CCOC(=O)c1cnc([S@](C)=O)nc1NCCOP(=O)([O-])[O-]	ZINC001157796012	839495730	/nfs/dbraw/zinc/49/57/30/839495730.db2.gz	RAOFJOPLGJHZGA-QFIPXVFZSA-N	-2	0	353.293	-0.088	20	0		FBADRL
O=C(Nn1c(=O)[n-][nH]c1=O)c1cnc(I)c([O-])c1	ZINC001160073549	843894293	/nfs/dbraw/zinc/89/42/93/843894293.db2.gz	OLZUIBWJNPPCCX-UHFFFAOYSA-N	-2	0	363.071	-0.222	20	0		FBADRL
Cc1cc(=O)n(-c2ccc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)nn2)[n-]1	ZINC001167858885	836094595	/nfs/dbraw/zinc/09/45/95/836094595.db2.gz	UINXZBXKICYMJR-CPCISQLKSA-N	-2	0	354.348	-0.597	20	0		FBADRL
O=[N+]([O-])N=C1NCCN1Cc1ccc(NCCOP(=O)([O-])[O-])nc1	ZINC001168585699	837344020	/nfs/dbraw/zinc/34/40/20/837344020.db2.gz	CJPYZNRWQKHVRZ-UHFFFAOYSA-N	-2	0	360.267	-0.444	20	0		FBADRL
COC(=O)c1cc(NCCOP(=O)([O-])[O-])nc(S(C)(=O)=O)n1	ZINC001168587014	837344002	/nfs/dbraw/zinc/34/40/02/837344002.db2.gz	NMHIULHIHANNDJ-UHFFFAOYSA-N	-2	0	355.265	-0.812	20	0		FBADRL
COC(=O)c1cnc(NCCOP(=O)([O-])[O-])c(S(N)(=O)=O)c1	ZINC001168589889	837345056	/nfs/dbraw/zinc/34/50/56/837345056.db2.gz	PYEKOIGUZLEILS-UHFFFAOYSA-N	-2	0	355.265	-0.963	20	0		FBADRL
COC(=O)CNS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1	ZINC001168590193	837344765	/nfs/dbraw/zinc/34/47/65/837344765.db2.gz	VBXLIBFBMPLRFM-UHFFFAOYSA-N	-2	0	369.292	-0.946	20	0		FBADRL
COC(=O)Cc1cc(NCCOP(=O)([O-])[O-])ccc1S(N)(=O)=O	ZINC001168596670	837346205	/nfs/dbraw/zinc/34/62/05/837346205.db2.gz	XCJDKZOSRLVUMB-UHFFFAOYSA-N	-2	0	368.304	-0.429	20	0		FBADRL
CS(=O)(=O)N1CCN(CCNc2ccc(P(=O)([O-])[O-])cc2)CC1	ZINC001169345477	839264786	/nfs/dbraw/zinc/26/47/86/839264786.db2.gz	XYGCACJBRRUSLT-UHFFFAOYSA-N	-2	0	363.376	-0.521	20	0		FBADRL
O=C(c1nc[n-]c(=O)c1Br)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001170383225	839491831	/nfs/dbraw/zinc/49/18/31/839491831.db2.gz	MPONWQYLIBYTQH-RXMQYKEDSA-N	-2	0	356.140	-0.329	20	0		FBADRL
O=C(c1nc[n-]c(=O)c1Br)N1CCOC[C@H]1c1nnn[n-]1	ZINC001170383226	839492207	/nfs/dbraw/zinc/49/22/07/839492207.db2.gz	MPONWQYLIBYTQH-YFKPBYRVSA-N	-2	0	356.140	-0.329	20	0		FBADRL
COc1cc(C(=O)[O-])ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001174674089	840276934	/nfs/dbraw/zinc/27/69/34/840276934.db2.gz	SXEYPQWHHDZOHJ-UHFFFAOYSA-N	-2	0	371.331	-0.595	20	0		FBADRL
COc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1C(=O)[O-]	ZINC001174682125	840276802	/nfs/dbraw/zinc/27/68/02/840276802.db2.gz	FAMBWHXKBDLCRR-UHFFFAOYSA-N	-2	0	371.331	-0.595	20	0		FBADRL
C=CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC001174779383	840278164	/nfs/dbraw/zinc/27/81/64/840278164.db2.gz	ARFHBDWQRVUMMB-WOUKDFQISA-N	-2	0	373.262	-0.890	20	0		FBADRL
C=CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC001174783044	840277430	/nfs/dbraw/zinc/27/74/30/840277430.db2.gz	ARFHBDWQRVUMMB-QRKAXHLRSA-N	-2	0	373.262	-0.890	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(CC(=O)[O-])cc1	ZINC001174947197	840278891	/nfs/dbraw/zinc/27/88/91/840278891.db2.gz	DUTWGOLKCPDNCY-UHFFFAOYSA-N	-2	0	355.332	-0.675	20	0		FBADRL
Cc1ccc(C(=O)[O-])cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001174982213	840280041	/nfs/dbraw/zinc/28/00/41/840280041.db2.gz	WENBUZGNRKLVON-UHFFFAOYSA-N	-2	0	355.332	-0.296	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(C(=O)[O-])c(F)c1	ZINC001175154936	840280385	/nfs/dbraw/zinc/28/03/85/840280385.db2.gz	ZGGMIFLPGBFMPO-UHFFFAOYSA-N	-2	0	359.295	-0.465	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)c(C(=O)[O-])c1	ZINC001175215513	840282737	/nfs/dbraw/zinc/28/27/37/840282737.db2.gz	JETLUVDSQKLZIY-UHFFFAOYSA-N	-2	0	359.295	-0.465	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001176588817	840296405	/nfs/dbraw/zinc/29/64/05/840296405.db2.gz	HRPNYONIINKHHH-MHXOOGSXSA-N	-2	0	367.343	-0.204	20	0		FBADRL
C[C@H]1[C@H](NC(=O)CSc2n[n-]c(=S)s2)C(=O)N1S(=O)(=O)[O-]	ZINC001177346118	840314322	/nfs/dbraw/zinc/31/43/22/840314322.db2.gz	PULPPXGEFFKPDW-UCORVYFPSA-N	-2	0	370.459	-0.563	20	0		FBADRL
O=C(COc1ncc(Br)cn1)NCCOP(=O)([O-])[O-]	ZINC001177579601	840319206	/nfs/dbraw/zinc/31/92/06/840319206.db2.gz	UTQMYFPGPMJGPJ-UHFFFAOYSA-N	-2	0	356.069	-0.157	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)Cn2nn[n-]c2=S)cc1	ZINC001177740955	840323097	/nfs/dbraw/zinc/32/30/97/840323097.db2.gz	MFGYZZVWKKLUII-UHFFFAOYSA-N	-2	0	370.416	-0.781	20	0		FBADRL
COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2nn[n-]c2=S)cc1	ZINC001177741137	840322723	/nfs/dbraw/zinc/32/27/23/840322723.db2.gz	VSQPIAVUCUPSIU-UHFFFAOYSA-N	-2	0	372.388	-0.355	20	0		FBADRL
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178586243	840336508	/nfs/dbraw/zinc/33/65/08/840336508.db2.gz	KFXIDLZOMWKWDJ-SECBINFHSA-N	-2	0	354.296	-0.152	20	0		FBADRL
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178586244	840336932	/nfs/dbraw/zinc/33/69/32/840336932.db2.gz	KFXIDLZOMWKWDJ-VIFPVBQESA-N	-2	0	354.296	-0.152	20	0		FBADRL
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178664916	840338676	/nfs/dbraw/zinc/33/86/76/840338676.db2.gz	QITPFVLSLQUHCC-NXEZZACHSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178664917	840339322	/nfs/dbraw/zinc/33/93/22/840339322.db2.gz	QITPFVLSLQUHCC-UWVGGRQHSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178664918	840339335	/nfs/dbraw/zinc/33/93/35/840339335.db2.gz	QITPFVLSLQUHCC-VHSXEESVSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCOP(=O)([O-])[O-])C[C@H](O)C1	ZINC001178664919	840339046	/nfs/dbraw/zinc/33/90/46/840339046.db2.gz	QITPFVLSLQUHCC-ZJUUUORDSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178749062	840342920	/nfs/dbraw/zinc/34/29/20/840342920.db2.gz	NERCIDDUPITXRB-NXEZZACHSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178749063	840342716	/nfs/dbraw/zinc/34/27/16/840342716.db2.gz	NERCIDDUPITXRB-UWVGGRQHSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178749064	840342646	/nfs/dbraw/zinc/34/26/46/840342646.db2.gz	NERCIDDUPITXRB-VHSXEESVSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001178749065	840342754	/nfs/dbraw/zinc/34/27/54/840342754.db2.gz	NERCIDDUPITXRB-ZJUUUORDSA-N	-2	0	368.323	-0.170	20	0		FBADRL
CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCCOP(=O)([O-])[O-])CC1	ZINC001179746137	840367301	/nfs/dbraw/zinc/36/73/01/840367301.db2.gz	HBIHOYZFSRBQSK-UHFFFAOYSA-N	-2	0	368.323	-0.026	20	0		FBADRL
COC(=O)[C@@H](Cc1cncn1C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180176624	840372974	/nfs/dbraw/zinc/37/29/74/840372974.db2.gz	JGLDBPHBIYBKMY-SSDOTTSWSA-N	-2	0	355.244	-0.024	20	0		FBADRL
COC(=O)[C@H](Cc1cncn1C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180176625	840372449	/nfs/dbraw/zinc/37/24/49/840372449.db2.gz	JGLDBPHBIYBKMY-ZETCQYMHSA-N	-2	0	355.244	-0.024	20	0		FBADRL
NS(=O)(=O)c1ccc(CCC(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001180382550	840378086	/nfs/dbraw/zinc/37/80/86/840378086.db2.gz	VOWOVHHYTGQVJB-UHFFFAOYSA-N	-2	0	352.305	-0.508	20	0		FBADRL
CC(C)(C)OC(=O)N1CCN(CC(=O)NCCOP(=O)([O-])[O-])CC1	ZINC001180793463	840389620	/nfs/dbraw/zinc/38/96/20/840389620.db2.gz	QXJBADQZJIXRBL-UHFFFAOYSA-N	-2	0	367.339	-0.235	20	0		FBADRL
CS(=O)(=O)Oc1ccc(CC(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001180867864	840394344	/nfs/dbraw/zinc/39/43/44/840394344.db2.gz	PGWXFVJXDGIGGE-UHFFFAOYSA-N	-2	0	353.289	-0.207	20	0		FBADRL
CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001181047117	840397205	/nfs/dbraw/zinc/39/72/05/840397205.db2.gz	YYKNCSNKVQYWHS-MRVPVSSYSA-N	-2	0	370.295	-0.332	20	0		FBADRL
CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001181047119	840397819	/nfs/dbraw/zinc/39/78/19/840397819.db2.gz	YYKNCSNKVQYWHS-QMMMGPOBSA-N	-2	0	370.295	-0.332	20	0		FBADRL
COc1ccccc1C(=O)N1CC(C(=O)NCCOP(=O)([O-])[O-])C1	ZINC001182230245	840423173	/nfs/dbraw/zinc/42/31/73/840423173.db2.gz	QJBJMJXSTWGLDC-UHFFFAOYSA-N	-2	0	358.287	-0.007	20	0		FBADRL
O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)NCS(=O)(=O)[O-]	ZINC001182549388	840432509	/nfs/dbraw/zinc/43/25/09/840432509.db2.gz	FCANVVFXKKZLCK-JTQLQIEISA-N	-2	0	374.396	-0.079	20	0		FBADRL
O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)NCS(=O)(=O)[O-]	ZINC001182549389	840432086	/nfs/dbraw/zinc/43/20/86/840432086.db2.gz	FCANVVFXKKZLCK-SNVBAGLBSA-N	-2	0	374.396	-0.079	20	0		FBADRL
O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)N[C@@H]1CO[N-]C1=O	ZINC001182549780	840431860	/nfs/dbraw/zinc/43/18/60/840431860.db2.gz	JHBGAEJCAHGIDC-GHMZBOCLSA-N	-2	0	365.367	-0.494	20	0		FBADRL
O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)N[C@@H]1CO[N-]C1=O	ZINC001182549781	840432356	/nfs/dbraw/zinc/43/23/56/840432356.db2.gz	JHBGAEJCAHGIDC-MNOVXSKESA-N	-2	0	365.367	-0.494	20	0		FBADRL
O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)NCc1nnn[n-]1	ZINC001182551148	840432480	/nfs/dbraw/zinc/43/24/80/840432480.db2.gz	YQSIVLMVGKJKFR-JTQLQIEISA-N	-2	0	362.371	-0.211	20	0		FBADRL
O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)NCc1nnn[n-]1	ZINC001182551149	840432036	/nfs/dbraw/zinc/43/20/36/840432036.db2.gz	YQSIVLMVGKJKFR-SNVBAGLBSA-N	-2	0	362.371	-0.211	20	0		FBADRL
O=C(NCCOP(=O)([O-])[O-])[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1	ZINC001182564704	840433734	/nfs/dbraw/zinc/43/37/34/840433734.db2.gz	NGOGFNTUDIGVOI-XYPYZODXSA-N	-2	0	360.303	-0.057	20	0		FBADRL
C[C@@H](O)[C@@H](C(=O)NCCOP(=O)([O-])[O-])N(C)C(=O)OC(C)(C)C	ZINC001182958701	840442989	/nfs/dbraw/zinc/44/29/89/840442989.db2.gz	XSYSDHGPYJTBHQ-BDAKNGLRSA-N	-2	0	356.312	-0.172	20	0		FBADRL
C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCCOP(=O)([O-])[O-]	ZINC001182977132	840445470	/nfs/dbraw/zinc/44/54/70/840445470.db2.gz	YAUYSITYIBIMHI-JTQLQIEISA-N	-2	0	366.332	-0.280	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1ccc([S-])cc1	ZINC001183186318	840450942	/nfs/dbraw/zinc/45/09/42/840450942.db2.gz	NUWQGUMCXGYOAR-UHFFFAOYSA-N	-2	0	371.400	-0.120	20	0		FBADRL
C[C@H]1[C@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)C(=O)N1S(=O)(=O)[O-]	ZINC001183195126	840450540	/nfs/dbraw/zinc/45/05/40/840450540.db2.gz	UDUSVLDVGCLKTO-IMJSIDKUSA-N	-2	0	356.225	-0.324	20	0		FBADRL
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001183224146	840452062	/nfs/dbraw/zinc/45/20/62/840452062.db2.gz	CBRQCWQBBWBQSQ-JTQLQIEISA-N	-2	0	366.332	-0.113	20	0		FBADRL
O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])N[C@@H]1CO[N-]C1=O	ZINC001183425468	840454626	/nfs/dbraw/zinc/45/46/26/840454626.db2.gz	FRYLVTHVPOFAOT-SECBINFHSA-N	-2	0	364.745	-0.130	20	0		FBADRL
CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)NCCOP(=O)([O-])[O-]	ZINC001183454740	840455668	/nfs/dbraw/zinc/45/56/68/840455668.db2.gz	UKCJLQRZOKEARS-GFCCVEGCSA-N	-2	0	370.302	-0.164	20	0		FBADRL
O=C(CCN1C(=O)Cc2ccccc2C1=O)NCCOP(=O)([O-])[O-]	ZINC001183530992	840458383	/nfs/dbraw/zinc/45/83/83/840458383.db2.gz	QKRKCMUGYBEURW-UHFFFAOYSA-N	-2	0	356.271	-0.173	20	0		FBADRL
O=C(Cn1cc(F)c(=O)[nH]c1=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001183660692	840462464	/nfs/dbraw/zinc/46/24/64/840462464.db2.gz	KHHKIEOSTAJKDX-UHFFFAOYSA-N	-2	0	368.302	-0.841	20	0		FBADRL
CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001183874140	840467738	/nfs/dbraw/zinc/46/77/38/840467738.db2.gz	BPOKPQMABCWHMR-VIFPVBQESA-N	-2	0	354.296	-0.552	20	0		FBADRL
CS(=O)(=O)Nc1cccc(CC(=O)NCCOP(=O)([O-])[O-])c1	ZINC001184012964	840470071	/nfs/dbraw/zinc/47/00/71/840470071.db2.gz	KXBFUHYFVJNHRG-UHFFFAOYSA-N	-2	0	352.305	-0.174	20	0		FBADRL
CN(CC(=O)NCCOP(=O)([O-])[O-])S(=O)(=O)c1ccccc1	ZINC001184413543	840477362	/nfs/dbraw/zinc/47/73/62/840477362.db2.gz	VYGDXKVCDMCVRY-UHFFFAOYSA-N	-2	0	352.305	-0.467	20	0		FBADRL
COCCC1(C(=O)NCCOP(=O)([O-])[O-])CCS(=O)(=O)CC1	ZINC001184559504	840480356	/nfs/dbraw/zinc/48/03/56/840480356.db2.gz	LAHMBMIJSIXCLN-UHFFFAOYSA-N	-2	0	359.337	-0.557	20	0		FBADRL
COc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1C(=O)[O-]	ZINC001185324307	840492852	/nfs/dbraw/zinc/49/28/52/840492852.db2.gz	IAFGCVKFMHPCOM-UHFFFAOYSA-N	-3	0	355.261	-0.219	20	0		FBADRL
COc1ccc(S(=O)(=O)Nc2c([S-])[nH]c(=O)[nH]c2=O)cc1C(=O)[O-]	ZINC001185332392	840492966	/nfs/dbraw/zinc/49/29/66/840492966.db2.gz	WUNCQDAEQNUZMN-MRVPVSSYSA-N	-2	0	373.368	-0.793	20	0		FBADRL
COc1ccc(S(=O)(=O)Nc2c([S-])[nH]c(=O)[nH]c2=O)cc1C(=O)[O-]	ZINC001185332393	840493185	/nfs/dbraw/zinc/49/31/85/840493185.db2.gz	WUNCQDAEQNUZMN-QMMMGPOBSA-N	-2	0	373.368	-0.793	20	0		FBADRL
Cc1nn(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(N)=O	ZINC001185566015	840496011	/nfs/dbraw/zinc/49/60/11/840496011.db2.gz	IMZHUXGXDQMCJT-UHFFFAOYSA-N	-2	0	362.375	-0.192	20	0		FBADRL
O=C(NCCOP(=O)([O-])[O-])c1cccc(N2CCCNC(=O)C2)n1	ZINC001185613572	840496763	/nfs/dbraw/zinc/49/67/63/840496763.db2.gz	SRFQYLXWWIRTBW-UHFFFAOYSA-N	-2	0	358.291	-0.753	20	0		FBADRL
O=C([N-]CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(F)(F)F	ZINC001185622793	840500984	/nfs/dbraw/zinc/50/09/84/840500984.db2.gz	RAIKMQHVKNNXQE-UHFFFAOYSA-N	-2	0	364.309	-0.177	20	0		FBADRL
COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185623035	840500715	/nfs/dbraw/zinc/50/07/15/840500715.db2.gz	WIBXBHBCADNPBZ-JTQLQIEISA-N	-2	0	369.359	-0.449	20	0		FBADRL
Nc1nc2c(ncn2CC(=O)NCCOP(=O)([O-])[O-])c(Cl)n1	ZINC001185905651	840510849	/nfs/dbraw/zinc/51/08/49/840510849.db2.gz	OHPJWPVLWGNPQF-UHFFFAOYSA-N	-2	0	350.659	-0.713	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc([S-])c1	ZINC001186130180	840516056	/nfs/dbraw/zinc/51/60/56/840516056.db2.gz	GKKPJOKFWIISBB-UHFFFAOYSA-N	-2	0	357.373	-0.314	20	0		FBADRL
COCCNC(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001186537990	840521142	/nfs/dbraw/zinc/52/11/42/840521142.db2.gz	AOVMBXXUHVZCJR-UHFFFAOYSA-N	-2	0	354.362	-0.052	20	0		FBADRL
COC(=O)c1ccc(OC)c(S(=O)(=O)NCCOP(=O)([O-])[O-])c1	ZINC001186587186	840522478	/nfs/dbraw/zinc/52/24/78/840522478.db2.gz	FMKRCONIEXTBNT-UHFFFAOYSA-N	-2	0	369.288	-0.131	20	0		FBADRL
C[C@H]1[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C(=O)N1S(=O)(=O)[O-]	ZINC001186787826	840535887	/nfs/dbraw/zinc/53/58/87/840535887.db2.gz	JOQFQXUFFZUGSX-SUZIUWRMSA-N	-2	0	354.262	-0.059	20	0		FBADRL
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCOP(=O)([O-])[O-]	ZINC001186934406	840541279	/nfs/dbraw/zinc/54/12/79/840541279.db2.gz	HCFRJQYMTBAJTI-DTWKUNHWSA-N	-2	0	354.296	-0.248	20	0		FBADRL
CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCOP(=O)([O-])[O-]	ZINC001187312677	840558694	/nfs/dbraw/zinc/55/86/94/840558694.db2.gz	AFQSNUUYXHQEOG-JTQLQIEISA-N	-2	0	367.339	-0.237	20	0		FBADRL
CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCOP(=O)([O-])[O-]	ZINC001187312679	840559515	/nfs/dbraw/zinc/55/95/15/840559515.db2.gz	AFQSNUUYXHQEOG-SNVBAGLBSA-N	-2	0	367.339	-0.237	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC001187768780	840580756	/nfs/dbraw/zinc/58/07/56/840580756.db2.gz	CGTGFKFJUOIKFD-UHFFFAOYSA-N	-2	0	358.401	-0.171	20	0		FBADRL
CN(C)S(=O)(=O)c1cccc(C(=O)NCCOP(=O)([O-])[O-])c1	ZINC001187948452	840595908	/nfs/dbraw/zinc/59/59/08/840595908.db2.gz	HIAAUHLITGSRGU-UHFFFAOYSA-N	-2	0	352.305	-0.224	20	0		FBADRL
COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1[O-]	ZINC001188392539	840623730	/nfs/dbraw/zinc/62/37/30/840623730.db2.gz	KXYXGJFXHBYXCZ-UHFFFAOYSA-N	-2	0	366.417	-0.053	20	0		FBADRL
COC(=O)CCS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC001188393442	840624283	/nfs/dbraw/zinc/62/42/83/840624283.db2.gz	HBFXFQQUWGZKSE-UHFFFAOYSA-N	-2	0	366.417	-0.053	20	0		FBADRL
COC(=O)CCS(=O)(=O)[N-]c1cc(S(=O)(=O)C(N)=O)ccc1[O-]	ZINC001188395431	840623785	/nfs/dbraw/zinc/62/37/85/840623785.db2.gz	UZDAGZOZCANLCH-UHFFFAOYSA-N	-2	0	366.373	-0.037	20	0		FBADRL
O=[P@@]([O-])(O)CCNS(=O)(=O)c1ccc(N2CCOCC2)nc1	ZINC001188542345	840637381	/nfs/dbraw/zinc/63/73/81/840637381.db2.gz	DZYICOGLELMSNS-UHFFFAOYSA-N	-2	0	351.321	-0.626	20	0		FBADRL
O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1	ZINC001188542577	840637748	/nfs/dbraw/zinc/63/77/48/840637748.db2.gz	FWXSFNQWZZGVOJ-UHFFFAOYSA-N	-2	0	367.320	-0.694	20	0		FBADRL
O=C(NCCOP(=O)([O-])[O-])c1[nH]ncc1I	ZINC001189142965	840665088	/nfs/dbraw/zinc/66/50/88/840665088.db2.gz	SMJCAQAIVPQYSL-UHFFFAOYSA-N	-2	0	361.032	-0.147	20	0		FBADRL
C[C@H]1[C@H](NC(=O)c2ccccc2S(=O)(=O)[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001189698938	840694641	/nfs/dbraw/zinc/69/46/41/840694641.db2.gz	NQHYRRBUULRQQP-RCOVLWMOSA-N	-2	0	364.357	-0.935	20	0		FBADRL
CS(=O)(=O)N1CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])CC1	ZINC001189877262	840702671	/nfs/dbraw/zinc/70/26/71/840702671.db2.gz	KTSODPPSRNKRBZ-UHFFFAOYSA-N	-2	0	364.316	-0.125	20	0		FBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CCN2C(=O)COC[C@@H]2C1	ZINC001189886230	840705246	/nfs/dbraw/zinc/70/52/46/840705246.db2.gz	BSCGLJOODOSAKJ-JTQLQIEISA-N	-2	0	356.271	-0.159	20	0		FBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CCN2C(=O)COC[C@H]2C1	ZINC001189886231	840705183	/nfs/dbraw/zinc/70/51/83/840705183.db2.gz	BSCGLJOODOSAKJ-SNVBAGLBSA-N	-2	0	356.271	-0.159	20	0		FBADRL
CN1CCN(C2CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)CC1=O	ZINC001189887314	840705273	/nfs/dbraw/zinc/70/52/73/840705273.db2.gz	MNLAEDIRGFEFDH-UHFFFAOYSA-N	-2	0	369.314	-0.244	20	0		FBADRL
CS(=O)(=O)NC1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])C1	ZINC001189887832	840705063	/nfs/dbraw/zinc/70/50/63/840705063.db2.gz	SOGLFLHVMLHHJQ-UHFFFAOYSA-N	-2	0	350.289	-0.468	20	0		FBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC(N2CCNC(=O)C2)C1	ZINC001189888080	840705021	/nfs/dbraw/zinc/70/50/21/840705021.db2.gz	VRRFRNMWYFYGDK-UHFFFAOYSA-N	-2	0	355.287	-0.586	20	0		FBADRL
CN(C)S(=O)(=O)CCNC(=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189899469	840704872	/nfs/dbraw/zinc/70/48/72/840704872.db2.gz	BZQZFOVDLDSKTR-UHFFFAOYSA-N	-2	0	352.305	-0.221	20	0		FBADRL
COC(=O)CC[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C(N)=O	ZINC001189899642	840705090	/nfs/dbraw/zinc/70/50/90/840705090.db2.gz	RUSHHMGFVMSQBT-VIFPVBQESA-N	-2	0	360.259	-0.305	20	0		FBADRL
CS(=O)(=O)N1CC(NC(=O)c2ccccc2OP(=O)([O-])[O-])C1	ZINC001189900186	840704885	/nfs/dbraw/zinc/70/48/85/840704885.db2.gz	UGLJPZVOJMAXTF-UHFFFAOYSA-N	-2	0	350.289	-0.468	20	0		FBADRL
O=C(NCCN1CCCS1(=O)=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189905407	840703846	/nfs/dbraw/zinc/70/38/46/840703846.db2.gz	UDTMJBZJAMQARB-UHFFFAOYSA-N	-2	0	364.316	-0.077	20	0		FBADRL
NC(=O)c1cnoc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189913949	840703475	/nfs/dbraw/zinc/70/34/75/840703475.db2.gz	BOKUSRGPBAKRJC-UHFFFAOYSA-N	-2	0	355.284	-0.029	20	0		FBADRL
NC(=O)c1n[nH]cc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189914333	840703059	/nfs/dbraw/zinc/70/30/59/840703059.db2.gz	INNYAVWTWYMQLY-UHFFFAOYSA-N	-2	0	354.300	-0.294	20	0		FBADRL
O=C([O-])c1cc(C(=O)Nc2ncnc3n[nH]nc32)cc(S(=O)(=O)[O-])c1	ZINC001189915071	840704000	/nfs/dbraw/zinc/70/40/00/840704000.db2.gz	SOQLAQUEUXJGGQ-UHFFFAOYSA-N	-2	0	364.299	-0.055	20	0		FBADRL
O=C([O-])c1cc(C(=O)N=c2ncnc3[nH][nH]cc2-3)cc(S(=O)(=O)[O-])c1	ZINC001189915161	840703306	/nfs/dbraw/zinc/70/33/06/840703306.db2.gz	UZZASAXHLCKHDI-UHFFFAOYSA-N	-2	0	363.311	-0.076	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CCn3cnnc3C2)cc(S(=O)(=O)[O-])c1	ZINC001189915186	840703139	/nfs/dbraw/zinc/70/31/39/840703139.db2.gz	VUTNTWUWXORVBC-UHFFFAOYSA-N	-2	0	352.328	-0.121	20	0		FBADRL
CS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189915560	840704008	/nfs/dbraw/zinc/70/40/08/840704008.db2.gz	ZOFJOAGUOBDBKG-UHFFFAOYSA-N	-2	0	351.358	-0.594	20	0		FBADRL
NC(=O)c1nccnc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189915762	840703152	/nfs/dbraw/zinc/70/31/52/840703152.db2.gz	UWNGMPPCCZRLQX-UHFFFAOYSA-N	-2	0	366.311	-0.227	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CCS(=O)(=O)CC2)cc(S(=O)(=O)[O-])c1	ZINC001189922686	840703776	/nfs/dbraw/zinc/70/37/76/840703776.db2.gz	ARBBUOHSXPZDND-UHFFFAOYSA-N	-2	0	363.369	-0.498	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc(S(=O)(=O)[O-])c1	ZINC001189922690	840703886	/nfs/dbraw/zinc/70/38/86/840703886.db2.gz	ARLZEGRWWQNFAG-CMPLNLGQSA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc(S(=O)(=O)[O-])c1	ZINC001189922696	840704047	/nfs/dbraw/zinc/70/40/47/840704047.db2.gz	ARLZEGRWWQNFAG-JQWIXIFHSA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc(S(=O)(=O)[O-])c1	ZINC001189922698	840703294	/nfs/dbraw/zinc/70/32/94/840703294.db2.gz	ARLZEGRWWQNFAG-PWSUYJOCSA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc(S(=O)(=O)[O-])c1	ZINC001189922700	840703431	/nfs/dbraw/zinc/70/34/31/840703431.db2.gz	ARLZEGRWWQNFAG-ZYHUDNBSSA-N	-2	0	359.356	-0.553	20	0		FBADRL
CC1(C)C(=O)NCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189922816	840703411	/nfs/dbraw/zinc/70/34/11/840703411.db2.gz	CMCYLMRMUZFZTE-UHFFFAOYSA-N	-2	0	356.356	-0.018	20	0		FBADRL
C[C@@]1(CO)CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC[C@H]1O	ZINC001189923050	840703118	/nfs/dbraw/zinc/70/31/18/840703118.db2.gz	FHTUOWRMKNPLOL-DOMZBBRYSA-N	-2	0	373.383	-0.163	20	0		FBADRL
C[C@]1(CO)CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC[C@H]1O	ZINC001189923054	840703938	/nfs/dbraw/zinc/70/39/38/840703938.db2.gz	FHTUOWRMKNPLOL-IUODEOHRSA-N	-2	0	373.383	-0.163	20	0		FBADRL
C[C@]1(CO)CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC[C@@H]1O	ZINC001189923056	840704091	/nfs/dbraw/zinc/70/40/91/840704091.db2.gz	FHTUOWRMKNPLOL-SWLSCSKDSA-N	-2	0	373.383	-0.163	20	0		FBADRL
C[C@@]1(CO)CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC[C@@H]1O	ZINC001189923057	840703486	/nfs/dbraw/zinc/70/34/86/840703486.db2.gz	FHTUOWRMKNPLOL-WFASDCNBSA-N	-2	0	373.383	-0.163	20	0		FBADRL
CN1CCO[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@H]21	ZINC001189923341	840703164	/nfs/dbraw/zinc/70/31/64/840703164.db2.gz	IKFGOHSTCVXFNM-OLZOCXBDSA-N	-2	0	370.383	-0.214	20	0		FBADRL
C[C@@]1(CO)CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@H]1O	ZINC001189923573	840703930	/nfs/dbraw/zinc/70/39/30/840703930.db2.gz	MJQJTVGZLBFXAH-DOMZBBRYSA-N	-2	0	373.383	-0.163	20	0		FBADRL
C[C@]1(CO)CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@H]1O	ZINC001189923574	840704053	/nfs/dbraw/zinc/70/40/53/840704053.db2.gz	MJQJTVGZLBFXAH-IUODEOHRSA-N	-2	0	373.383	-0.163	20	0		FBADRL
C[C@]1(CO)CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@@H]1O	ZINC001189923575	840704025	/nfs/dbraw/zinc/70/40/25/840704025.db2.gz	MJQJTVGZLBFXAH-SWLSCSKDSA-N	-2	0	373.383	-0.163	20	0		FBADRL
C[C@@]1(CO)CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@@H]1O	ZINC001189923576	840704006	/nfs/dbraw/zinc/70/40/06/840704006.db2.gz	MJQJTVGZLBFXAH-WFASDCNBSA-N	-2	0	373.383	-0.163	20	0		FBADRL
CN1C[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc(S(=O)(=O)[O-])c3)C[C@@H]2C1=O	ZINC001189923580	840703948	/nfs/dbraw/zinc/70/39/48/840703948.db2.gz	MLDQNEUXOHZLFA-PWSUYJOCSA-N	-2	0	368.367	-0.208	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc(S(=O)(=O)[O-])c1	ZINC001189923650	840703227	/nfs/dbraw/zinc/70/32/27/840703227.db2.gz	ADDFLCGQRCGFDX-SNVBAGLBSA-N	-2	0	370.339	-0.092	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)cc(S(=O)(=O)[O-])c1	ZINC001189924124	840704040	/nfs/dbraw/zinc/70/40/40/840704040.db2.gz	KQEBTBJEJMVARS-PHIMTYICSA-N	-2	0	369.351	-0.081	20	0		FBADRL
NC(=O)N1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1	ZINC001189924178	840703944	/nfs/dbraw/zinc/70/39/44/840703944.db2.gz	UZOOZNQBXGAFJN-UHFFFAOYSA-N	-2	0	357.344	-0.532	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189924515	840703962	/nfs/dbraw/zinc/70/39/62/840703962.db2.gz	YXJLSXOFQMLYBN-PELKAZGASA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189924516	840703466	/nfs/dbraw/zinc/70/34/66/840703466.db2.gz	YXJLSXOFQMLYBN-PRHODGIISA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189924517	840704849	/nfs/dbraw/zinc/70/48/49/840704849.db2.gz	YXJLSXOFQMLYBN-QPUJVOFHSA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189924518	840704702	/nfs/dbraw/zinc/70/47/02/840704702.db2.gz	YXJLSXOFQMLYBN-UFBFGSQYSA-N	-2	0	359.356	-0.553	20	0		FBADRL
O=C([O-])c1cc(C(=O)N2CCn3nncc3C2)cc(S(=O)(=O)[O-])c1	ZINC001189924626	840704861	/nfs/dbraw/zinc/70/48/61/840704861.db2.gz	SCWJOBHCHMPPDN-UHFFFAOYSA-N	-2	0	352.328	-0.121	20	0		FBADRL
C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189925137	840704496	/nfs/dbraw/zinc/70/44/96/840704496.db2.gz	YCGNUOGURJDZLU-QMMMGPOBSA-N	-2	0	356.356	-0.066	20	0		FBADRL
CN1C[C@@H](CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1=O	ZINC001189932420	840706359	/nfs/dbraw/zinc/70/63/59/840706359.db2.gz	BSDDYZWPNVUWOV-MRVPVSSYSA-N	-2	0	356.356	-0.160	20	0		FBADRL
CN1C[C@H](CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1=O	ZINC001189932424	840705941	/nfs/dbraw/zinc/70/59/41/840705941.db2.gz	BSDDYZWPNVUWOV-QMMMGPOBSA-N	-2	0	356.356	-0.160	20	0		FBADRL
CN1CCOC[C@H]1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189932458	840706189	/nfs/dbraw/zinc/70/61/89/840706189.db2.gz	BYUXETMDZIPPCU-LLVKDONJSA-N	-2	0	358.372	-0.308	20	0		FBADRL
CN1CCOC[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189932460	840706182	/nfs/dbraw/zinc/70/61/82/840706182.db2.gz	BYUXETMDZIPPCU-NSHDSACASA-N	-2	0	358.372	-0.308	20	0		FBADRL
O=C([O-])c1cc(C(=O)NCCCc2c[nH][nH]c2=O)cc(S(=O)(=O)[O-])c1	ZINC001189932475	840706241	/nfs/dbraw/zinc/70/62/41/840706241.db2.gz	CDJMCLFNGKXCMZ-MRVPVSSYSA-N	-2	0	369.355	-0.127	20	0		FBADRL
O=C([O-])c1cc(C(=O)NCCCc2c[nH][nH]c2=O)cc(S(=O)(=O)[O-])c1	ZINC001189932480	840706261	/nfs/dbraw/zinc/70/62/61/840706261.db2.gz	CDJMCLFNGKXCMZ-QMMMGPOBSA-N	-2	0	369.355	-0.127	20	0		FBADRL
Cn1c(=O)cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)[nH]c1=O	ZINC001189932498	840706157	/nfs/dbraw/zinc/70/61/57/840706157.db2.gz	CFQIAJKYOFMGQI-UHFFFAOYSA-N	-2	0	369.311	-0.317	20	0		FBADRL
O=C([O-])c1cc(C(=O)NCCOP(=O)([O-])[O-])cc(S(=O)(=O)[O-])c1	ZINC001189932930	840706167	/nfs/dbraw/zinc/70/61/67/840706167.db2.gz	DZEVIIQQYNXEAC-UHFFFAOYSA-N	-4	0	369.244	-0.529	20	0		FBADRL
O=C([O-])c1cc(C(=O)NC2(CO)CCOCC2)cc(S(=O)(=O)[O-])c1	ZINC001189933044	840706385	/nfs/dbraw/zinc/70/63/85/840706385.db2.gz	HASGDDKDPOBBKR-UHFFFAOYSA-N	-2	0	359.356	-0.097	20	0		FBADRL
CN1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCC1=O	ZINC001189933073	840706320	/nfs/dbraw/zinc/70/63/20/840706320.db2.gz	HXLUNUNZOFGDBR-JTQLQIEISA-N	-2	0	356.356	-0.018	20	0		FBADRL
CN1C[C@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCC1=O	ZINC001189933074	840706328	/nfs/dbraw/zinc/70/63/28/840706328.db2.gz	HXLUNUNZOFGDBR-SNVBAGLBSA-N	-2	0	356.356	-0.018	20	0		FBADRL
O=C([O-])c1cc(C(=O)NC2CC(CO)(CO)C2)cc(S(=O)(=O)[O-])c1	ZINC001189933386	840706129	/nfs/dbraw/zinc/70/61/29/840706129.db2.gz	IYCSXYDLRGDBGU-UHFFFAOYSA-N	-2	0	359.356	-0.505	20	0		FBADRL
O=C([O-])c1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189933447	840706304	/nfs/dbraw/zinc/70/63/04/840706304.db2.gz	KUEHDVXGUODIOP-SECBINFHSA-N	-2	0	361.353	-0.328	20	0		FBADRL
O=C([O-])c1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189933448	840706229	/nfs/dbraw/zinc/70/62/29/840706229.db2.gz	KUEHDVXGUODIOP-VIFPVBQESA-N	-2	0	361.353	-0.328	20	0		FBADRL
CN1CCO[C@H](CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1	ZINC001189933811	840706093	/nfs/dbraw/zinc/70/60/93/840706093.db2.gz	NEVUITAMHGIQGB-LLVKDONJSA-N	-2	0	358.372	-0.308	20	0		FBADRL
CN1CCO[C@@H](CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1	ZINC001189933813	840705801	/nfs/dbraw/zinc/70/58/01/840705801.db2.gz	NEVUITAMHGIQGB-NSHDSACASA-N	-2	0	358.372	-0.308	20	0		FBADRL
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CC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1	ZINC001189933909	840706033	/nfs/dbraw/zinc/70/60/33/840706033.db2.gz	PDBXHPRSJUFCOC-IAQYHMDHSA-N	-2	0	368.367	-0.018	20	0		FBADRL
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O=C([O-])c1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc(S(=O)(=O)[O-])c1	ZINC001189934822	840705853	/nfs/dbraw/zinc/70/58/53/840705853.db2.gz	YQLJIRHXBQSPJH-SECBINFHSA-N	-2	0	356.312	-0.834	20	0		FBADRL
O=C([O-])c1cc(C(=O)N[C@H]2CCC(=O)NC2=O)cc(S(=O)(=O)[O-])c1	ZINC001189934824	840706253	/nfs/dbraw/zinc/70/62/53/840706253.db2.gz	YQLJIRHXBQSPJH-VIFPVBQESA-N	-2	0	356.312	-0.834	20	0		FBADRL
Nc1nc(=O)[nH]cc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189934852	840706120	/nfs/dbraw/zinc/70/61/20/840706120.db2.gz	YYSMRTZAAPPDRZ-UHFFFAOYSA-N	-2	0	354.300	-0.038	20	0		FBADRL
O=C([O-])CCC(=O)CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189941115	840707265	/nfs/dbraw/zinc/70/72/65/840707265.db2.gz	AEAPJUHIGMEVMF-UHFFFAOYSA-N	-3	0	359.312	-0.205	20	0		FBADRL
Nc1cn(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c(N)nc1=O	ZINC001189941245	840707519	/nfs/dbraw/zinc/70/75/19/840707519.db2.gz	FYZCXVXUKPZXBQ-UHFFFAOYSA-N	-2	0	354.300	-0.716	20	0		FBADRL
O=C([O-])c1cc(C(=O)NC2CN(C3COC3)C2)cc(S(=O)(=O)[O-])c1	ZINC001189941364	840707801	/nfs/dbraw/zinc/70/78/01/840707801.db2.gz	JRVXDEFVRXHDND-UHFFFAOYSA-N	-2	0	356.356	-0.556	20	0		FBADRL
CN1CCC[C@H](NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1=O	ZINC001189941500	840707718	/nfs/dbraw/zinc/70/77/18/840707718.db2.gz	MHPLVFVHULSJSG-NSHDSACASA-N	-2	0	356.356	-0.018	20	0		FBADRL
CC1(C)C(=O)NC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189942290	840707174	/nfs/dbraw/zinc/70/71/74/840707174.db2.gz	XQKBTUWLAYKPLX-JTQLQIEISA-N	-2	0	356.356	-0.114	20	0		FBADRL
CC1(C)C(=O)NC[C@H]1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189942292	840707342	/nfs/dbraw/zinc/70/73/42/840707342.db2.gz	XQKBTUWLAYKPLX-SNVBAGLBSA-N	-2	0	356.356	-0.114	20	0		FBADRL
O=C([O-])c1cc(C(=O)NCCN2CC3(COC3)C2)cc(S(=O)(=O)[O-])c1	ZINC001189942321	840707785	/nfs/dbraw/zinc/70/77/85/840707785.db2.gz	YKZBIKHMJNMFRI-UHFFFAOYSA-N	-2	0	370.383	-0.307	20	0		FBADRL
COc1cc(O)c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(OC)c1	ZINC001190145730	840715879	/nfs/dbraw/zinc/71/58/79/840715879.db2.gz	RDYRYOIVWLWCRY-KGFZYKRKSA-N	-2	0	360.344	-0.459	20	0		FBADRL
C[C@H]1[C@H]([N-]S(=O)(=O)c2ncc(F)cc2F)C(=O)N1S(=O)(=O)[O-]	ZINC001190196618	840722765	/nfs/dbraw/zinc/72/27/65/840722765.db2.gz	JOGIGLZBYTUYPW-FFWSUHOLSA-N	-2	0	357.316	-0.960	20	0		FBADRL
C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2F)C(=O)N1S(=O)(=O)[O-]	ZINC001190404688	840733172	/nfs/dbraw/zinc/73/31/72/840733172.db2.gz	XZCPOBGWHRCOKI-IGJIYHIXSA-N	-2	0	374.318	-0.216	20	0		FBADRL
CCOC(=O)CC[C@H](NC(=O)NCCOP(=O)([O-])[O-])C(=O)OCC	ZINC001190487290	840736485	/nfs/dbraw/zinc/73/64/85/840736485.db2.gz	WJQIOQVKRAJWLI-VIFPVBQESA-N	-2	0	370.295	-0.330	20	0		FBADRL
O=S(=O)([O-])CCCCN1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001190716673	840754471	/nfs/dbraw/zinc/75/44/71/840754471.db2.gz	WVNKBIOTFIDZNB-UHFFFAOYSA-N	-2	0	352.438	-0.616	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1	ZINC001190728943	840757999	/nfs/dbraw/zinc/75/79/99/840757999.db2.gz	DBRCQZWGKWERFB-UHFFFAOYSA-N	-2	0	358.401	-0.171	20	0		FBADRL
NS(=O)(=O)c1cc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c([O-])cc1Cl	ZINC001191035944	840786158	/nfs/dbraw/zinc/78/61/58/840786158.db2.gz	MYLPAPSGRNOGKP-SECBINFHSA-N	-2	0	365.776	-0.268	20	0		FBADRL
NS(=O)(=O)c1cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c([O-])cc1Cl	ZINC001191035983	840786128	/nfs/dbraw/zinc/78/61/28/840786128.db2.gz	MYLPAPSGRNOGKP-VIFPVBQESA-N	-2	0	365.776	-0.268	20	0		FBADRL
NS(=O)(=O)c1cc(C(=O)NCC(=O)CCC(=O)[O-])c([O-])cc1Cl	ZINC001191046387	840790030	/nfs/dbraw/zinc/79/00/30/840790030.db2.gz	RUUIMKMIANYPOJ-UHFFFAOYSA-N	-2	0	364.763	-0.143	20	0		FBADRL
NS(=O)(=O)c1cc(C(=O)NCCOP(=O)([O-])[O-])c([O-])cc1Cl	ZINC001191046390	840789548	/nfs/dbraw/zinc/78/95/48/840789548.db2.gz	RVRHMQIOPPVEFY-UHFFFAOYSA-N	-3	0	374.695	-0.468	20	0		FBADRL
Cn1cc(Br)cc(C(=O)NCCOP(=O)([O-])[O-])c1=O	ZINC001191205669	840799162	/nfs/dbraw/zinc/79/91/62/840799162.db2.gz	NSBKNPRJHQKEJI-UHFFFAOYSA-N	-2	0	355.081	-0.013	20	0		FBADRL
O=C(NCCOP(=O)([O-])[O-])c1nccnc1I	ZINC001191537111	840839828	/nfs/dbraw/zinc/83/98/28/840839828.db2.gz	TWCVSPUUNUFEKF-UHFFFAOYSA-N	-2	0	373.043	-0.080	20	0		FBADRL
C[C@H]1[C@H]([N-]S(=O)(=O)C(Cl)(Cl)Cl)C(=O)N1S(=O)(=O)[O-]	ZINC001192043463	840891571	/nfs/dbraw/zinc/89/15/71/840891571.db2.gz	VORQWBCEFRCICF-HRFVKAFMSA-N	-2	0	361.612	-0.364	20	0		FBADRL
COC(=O)c1ccc([O-])c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1	ZINC001192395985	840927696	/nfs/dbraw/zinc/92/76/96/840927696.db2.gz	KKDYTTQFYDMZMY-WKEGUHRASA-N	-2	0	358.328	-0.689	20	0		FBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C(N)=O	ZINC001192683472	840952974	/nfs/dbraw/zinc/95/29/74/840952974.db2.gz	QSOMUJQTHSOCCO-UHFFFAOYSA-N	-2	0	354.344	-0.217	20	0		FBADRL
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192683913	840953513	/nfs/dbraw/zinc/95/35/13/840953513.db2.gz	XJSCLNUULFASOH-UHFFFAOYSA-N	-2	0	354.344	-0.217	20	0		FBADRL
NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1	ZINC001192685593	840952776	/nfs/dbraw/zinc/95/27/76/840952776.db2.gz	BQVREJLIWANTFU-UHFFFAOYSA-N	-2	0	352.328	-0.160	20	0		FBADRL
NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cn1	ZINC001192686077	840953422	/nfs/dbraw/zinc/95/34/22/840953422.db2.gz	LKPVTAHMAZHYMQ-UHFFFAOYSA-N	-2	0	352.328	-0.160	20	0		FBADRL
NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192686088	840952695	/nfs/dbraw/zinc/95/26/95/840952695.db2.gz	LOLNUYPMGFYHDJ-UHFFFAOYSA-N	-2	0	352.328	-0.160	20	0		FBADRL
O=C([O-])COc1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001192740311	840958448	/nfs/dbraw/zinc/95/84/48/840958448.db2.gz	LNWCLHWKDGEJOU-UHFFFAOYSA-N	-3	0	355.261	-0.462	20	0		FBADRL
Cn1ccnc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001193604002	841062085	/nfs/dbraw/zinc/06/20/85/841062085.db2.gz	KULQVNJDNBMZHB-UHFFFAOYSA-N	-2	0	359.389	-0.422	20	0		FBADRL
Cn1ccnc1S(=O)(=O)[N-]c1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001193604021	841062865	/nfs/dbraw/zinc/06/28/65/841062865.db2.gz	LODCMLOTNSEEJT-UHFFFAOYSA-N	-2	0	372.428	-0.161	20	0		FBADRL
Cn1[n-]c(C(=O)Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)cc1=O	ZINC001194202680	841131377	/nfs/dbraw/zinc/13/13/77/841131377.db2.gz	OUWNNDNTOSQQTB-UHFFFAOYSA-N	-2	0	352.372	-0.004	20	0		FBADRL
COc1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1S(C)(=O)=O	ZINC001194247491	841136083	/nfs/dbraw/zinc/13/60/83/841136083.db2.gz	RZFNIIFMZKZCOS-UHFFFAOYSA-N	-2	0	353.289	-0.062	20	0		FBADRL
COC(=O)c1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)n[n-]1	ZINC001194288495	841144232	/nfs/dbraw/zinc/14/42/32/841144232.db2.gz	FWABQYODVRSYAH-UHFFFAOYSA-N	-2	0	350.312	-0.119	20	0		FBADRL
NC(=O)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)no1	ZINC001195255154	841233821	/nfs/dbraw/zinc/23/38/21/841233821.db2.gz	TWJRVUJMGZEAPL-UHFFFAOYSA-N	-2	0	362.270	-0.377	20	0		FBADRL
O=C(N[C@@H]1CO[N-]C1=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F	ZINC001195352422	841240021	/nfs/dbraw/zinc/24/00/21/841240021.db2.gz	BKQUHOAZODXFJE-UWTATZPHSA-N	-2	0	358.225	-0.351	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)NCCOP(=O)([O-])[O-])c(C)cc1O	ZINC001195393118	841245133	/nfs/dbraw/zinc/24/51/33/841245133.db2.gz	XNMVFOMYXXRUTF-UHFFFAOYSA-N	-2	0	369.288	-0.125	20	0		FBADRL
CCOC(=O)c1ccncc1S(=O)(=O)NCCOP(=O)([O-])[O-]	ZINC001195655212	841272502	/nfs/dbraw/zinc/27/25/02/841272502.db2.gz	ZFKBLWPCBFJUAF-UHFFFAOYSA-N	-2	0	354.277	-0.354	20	0		FBADRL
CCOC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001195930757	841295439	/nfs/dbraw/zinc/29/54/39/841295439.db2.gz	NNIMMZWCZQNHKW-UHFFFAOYSA-N	-2	0	364.401	-0.184	20	0		FBADRL
CCOC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1[O-]	ZINC001195972722	841297177	/nfs/dbraw/zinc/29/71/77/841297177.db2.gz	BSVRNCODTSBSCZ-UHFFFAOYSA-N	-2	0	366.417	-0.053	20	0		FBADRL
CCOC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC001195977743	841297593	/nfs/dbraw/zinc/29/75/93/841297593.db2.gz	XYAKQSJSSIHZIX-UHFFFAOYSA-N	-2	0	366.417	-0.053	20	0		FBADRL
CCOC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001195977881	841297245	/nfs/dbraw/zinc/29/72/45/841297245.db2.gz	ZLFXGFGLNQGQHF-UHFFFAOYSA-N	-2	0	365.389	-0.652	20	0		FBADRL
CCOC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)C(N)=O)ccc1[O-]	ZINC001195984315	841298801	/nfs/dbraw/zinc/29/88/01/841298801.db2.gz	OZEKVXIIRGOWPV-UHFFFAOYSA-N	-2	0	366.373	-0.037	20	0		FBADRL
COC(=O)c1cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc1O	ZINC001197256908	841441688	/nfs/dbraw/zinc/44/16/88/841441688.db2.gz	QXSCAUCXNYRKHR-UHFFFAOYSA-N	-2	0	355.261	-0.434	20	0		FBADRL
O=C(N[C@@H]1CO[N-]C1=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198001013	841516669	/nfs/dbraw/zinc/51/66/69/841516669.db2.gz	DFEURUYKTWPDCP-SECBINFHSA-N	-2	0	351.706	-0.854	20	0		FBADRL
O=C(NCc1n[nH]c(=O)[n-]1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198008620	841516072	/nfs/dbraw/zinc/51/60/72/841516072.db2.gz	SWDFADMGDYFRCQ-UHFFFAOYSA-N	-2	0	363.721	-0.260	20	0		FBADRL
O=C(NCS(=O)(=O)[O-])c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198008812	841516932	/nfs/dbraw/zinc/51/69/32/841516932.db2.gz	WKUALWIGNOAWCW-UHFFFAOYSA-N	-2	0	360.735	-0.438	20	0		FBADRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)n1C	ZINC001198399818	841554421	/nfs/dbraw/zinc/55/44/21/841554421.db2.gz	IWRCOMBXCMKFDA-UHFFFAOYSA-N	-2	0	373.416	-0.114	20	0		FBADRL
Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)n1C	ZINC001198400847	841554939	/nfs/dbraw/zinc/55/49/39/841554939.db2.gz	SLLODLNLWJAIOS-UHFFFAOYSA-N	-2	0	356.385	-0.039	20	0		FBADRL
C=CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@](=O)([O-])O	ZINC001198569620	841570490	/nfs/dbraw/zinc/57/04/90/841570490.db2.gz	IZIAHIQAWKSWRO-UHFFFAOYSA-N	-2	0	363.292	-0.137	20	0		FBADRL
C[C@H]1[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001198797765	841602688	/nfs/dbraw/zinc/60/26/88/841602688.db2.gz	LNZOMQYQVICUHN-RCOVLWMOSA-N	-2	0	364.357	-0.935	20	0		FBADRL
NS(=O)(=O)c1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1	ZINC001199213765	841643101	/nfs/dbraw/zinc/64/31/01/841643101.db2.gz	KTTIGUQHNQLSPY-UHFFFAOYSA-N	-2	0	355.334	-0.270	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(C(=O)[O-])cc1F	ZINC001203285893	840697077	/nfs/dbraw/zinc/69/70/77/840697077.db2.gz	AJIYPUKXTTUSGW-UHFFFAOYSA-N	-2	0	359.295	-0.465	20	0		FBADRL
COc1ccc(C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1	ZINC001204755192	843968777	/nfs/dbraw/zinc/96/87/77/843968777.db2.gz	VDSZWPFTFIYZDH-LLVKDONJSA-N	-2	0	364.243	-0.100	20	0		FBADRL
COc1ccc(OC)c(C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001204768235	843968800	/nfs/dbraw/zinc/96/88/00/843968800.db2.gz	LBMZIJJNWQTCKV-LLVKDONJSA-N	-2	0	364.243	-0.100	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCCS(=O)(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001206081826	843982445	/nfs/dbraw/zinc/98/24/45/843982445.db2.gz	FYTQELZCKUCPTJ-CMPLNLGQSA-N	-2	0	360.340	-0.460	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCCS(=O)(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001206081835	843982233	/nfs/dbraw/zinc/98/22/33/843982233.db2.gz	FYTQELZCKUCPTJ-JQWIXIFHSA-N	-2	0	360.340	-0.460	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCCS(=O)(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001206081837	843982237	/nfs/dbraw/zinc/98/22/37/843982237.db2.gz	FYTQELZCKUCPTJ-PWSUYJOCSA-N	-2	0	360.340	-0.460	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCCS(=O)(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001206081840	843981993	/nfs/dbraw/zinc/98/19/93/843981993.db2.gz	FYTQELZCKUCPTJ-ZYHUDNBSSA-N	-2	0	360.340	-0.460	20	0		FBADRL
O=C(OCCS(=O)(=O)c1ccccc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001206082765	843981974	/nfs/dbraw/zinc/98/19/74/843981974.db2.gz	PAPBVGSNLQEDRD-SNVBAGLBSA-N	-2	0	354.273	-0.526	20	0		FBADRL
O=C(OCCOc1cccc2c1OCCO2)[C@H](O)COP(=O)([O-])[O-]	ZINC001206654083	843803683	/nfs/dbraw/zinc/80/36/83/843803683.db2.gz	FIJWROJMSNKLMS-SECBINFHSA-N	-2	0	364.243	-0.150	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(F)cc(C(=O)[O-])c1	ZINC001209886245	844165750	/nfs/dbraw/zinc/16/57/50/844165750.db2.gz	PXCVGCPFKORDPF-UHFFFAOYSA-N	-2	0	359.295	-0.465	20	0		FBADRL
CS(=O)(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001209896590	844166963	/nfs/dbraw/zinc/16/69/63/844166963.db2.gz	ZAPMMNMGBYECIL-CMPLNLGQSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001209896591	844166832	/nfs/dbraw/zinc/16/68/32/844166832.db2.gz	ZAPMMNMGBYECIL-JQWIXIFHSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001209896592	844166735	/nfs/dbraw/zinc/16/67/35/844166735.db2.gz	ZAPMMNMGBYECIL-PWSUYJOCSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001209896593	844167196	/nfs/dbraw/zinc/16/71/96/844167196.db2.gz	ZAPMMNMGBYECIL-ZYHUDNBSSA-N	-2	0	360.340	-0.330	20	0		FBADRL
COc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1C(=O)[O-]	ZINC001209899772	844167218	/nfs/dbraw/zinc/16/72/18/844167218.db2.gz	WZCWWJFWMMBZOB-UHFFFAOYSA-N	-2	0	371.331	-0.595	20	0		FBADRL
CS(=O)(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001209910095	844166776	/nfs/dbraw/zinc/16/67/76/844166776.db2.gz	WALSJEKARLNKGB-SNVBAGLBSA-N	-2	0	354.273	-0.397	20	0		FBADRL
Cc1c(F)cc(C(=O)[O-])cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001210007822	844171281	/nfs/dbraw/zinc/17/12/81/844171281.db2.gz	UNFCTYKXRKBPBX-UHFFFAOYSA-N	-2	0	373.322	-0.157	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(CC(=O)[O-])c1	ZINC001210070374	844171892	/nfs/dbraw/zinc/17/18/92/844171892.db2.gz	WLWOTHQTVGLNRM-UHFFFAOYSA-N	-2	0	355.332	-0.675	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(C(=O)[O-])c1F	ZINC001210238498	844180464	/nfs/dbraw/zinc/18/04/64/844180464.db2.gz	AQYHLATUXSXHQQ-UHFFFAOYSA-N	-2	0	359.295	-0.465	20	0		FBADRL
COc1ccc(C(=O)[O-])cc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001210254121	844180260	/nfs/dbraw/zinc/18/02/60/844180260.db2.gz	FAALPNYUXUCVFO-UHFFFAOYSA-N	-2	0	371.331	-0.595	20	0		FBADRL
COc1c(C(=O)[O-])cccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001211033555	844208802	/nfs/dbraw/zinc/20/88/02/844208802.db2.gz	LZRUVEVVXKWSPV-UHFFFAOYSA-N	-2	0	371.331	-0.595	20	0		FBADRL
Cc1cc(C(=O)[O-])cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1	ZINC001211537354	836022687	/nfs/dbraw/zinc/02/26/87/836022687.db2.gz	FWSMADACUZWNEH-UHFFFAOYSA-N	-2	0	355.332	-0.296	20	0		FBADRL
Cc1ccc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1C(=O)[O-]	ZINC001211597325	836034211	/nfs/dbraw/zinc/03/42/11/836034211.db2.gz	ZEMGDPOLRLRZQA-UHFFFAOYSA-N	-2	0	355.332	-0.296	20	0		FBADRL
Cc1cc(C(=O)[O-])ccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001211618715	836039523	/nfs/dbraw/zinc/03/95/23/836039523.db2.gz	NTGAWLWOMWCCKF-UHFFFAOYSA-N	-2	0	355.332	-0.296	20	0		FBADRL
Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1C(=O)[O-]	ZINC001211650023	836057447	/nfs/dbraw/zinc/05/74/47/836057447.db2.gz	LTLQFTPHFVWAIK-UHFFFAOYSA-N	-2	0	355.332	-0.296	20	0		FBADRL
COc1cc(C(=O)[O-])cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1	ZINC001213586797	844336921	/nfs/dbraw/zinc/33/69/21/844336921.db2.gz	NMVRLPWUYTYRFG-UHFFFAOYSA-N	-2	0	371.331	-0.595	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(CCC(=O)[O-])cc1	ZINC001213623446	844344474	/nfs/dbraw/zinc/34/44/74/844344474.db2.gz	MQABZZHZBYNJNT-UHFFFAOYSA-N	-2	0	369.359	-0.285	20	0		FBADRL
Cc1c(C(=O)[O-])cccc1-n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N	ZINC001216658070	844598450	/nfs/dbraw/zinc/59/84/50/844598450.db2.gz	ROSDGISZDYPOJD-UHFFFAOYSA-N	-2	0	355.332	-0.296	20	0		FBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(CC(=O)[O-])ccc1F	ZINC001216677842	844598401	/nfs/dbraw/zinc/59/84/01/844598401.db2.gz	VNMMTXKCPBNLJU-UHFFFAOYSA-N	-2	0	373.322	-0.536	20	0		FBADRL
COC(=O)c1cccc(O)c1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001217915761	844677166	/nfs/dbraw/zinc/67/71/66/844677166.db2.gz	ADASLEIKZHNEIV-PELKAZGASA-N	-2	0	356.283	-0.242	20	0		FBADRL
COC(=O)c1cccc(O)c1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001217915766	844677175	/nfs/dbraw/zinc/67/71/75/844677175.db2.gz	ADASLEIKZHNEIV-PRHODGIISA-N	-2	0	356.283	-0.242	20	0		FBADRL
COC(=O)c1cccc(O)c1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001217915768	844677577	/nfs/dbraw/zinc/67/75/77/844677577.db2.gz	ADASLEIKZHNEIV-QPUJVOFHSA-N	-2	0	356.283	-0.242	20	0		FBADRL
COC(=O)c1cccc(O)c1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001217915771	844676907	/nfs/dbraw/zinc/67/69/07/844676907.db2.gz	ADASLEIKZHNEIV-UFBFGSQYSA-N	-2	0	356.283	-0.242	20	0		FBADRL
COC(=O)c1cccc(O)c1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001217930542	844678784	/nfs/dbraw/zinc/67/87/84/844678784.db2.gz	PDIXUASEJLCGFO-SNVBAGLBSA-N	-2	0	350.216	-0.308	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc2ccccc2[nH]c1=O)[C@@H](O)C(=O)[O-]	ZINC001222082597	845705875	/nfs/dbraw/zinc/70/58/75/845705875.db2.gz	UUUZLNKPFKQQKZ-JMCQJSRRSA-N	-2	0	350.283	-0.497	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc2ccccc2[nH]c1=O)[C@@H](O)C(=O)[O-]	ZINC001222082604	845705787	/nfs/dbraw/zinc/70/57/87/845705787.db2.gz	UUUZLNKPFKQQKZ-JVXZTZIISA-N	-2	0	350.283	-0.497	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc2ccccc2[nH]c1=O)[C@H](O)C(=O)[O-]	ZINC001222082605	845705773	/nfs/dbraw/zinc/70/57/73/845705773.db2.gz	UUUZLNKPFKQQKZ-KRTXAFLBSA-N	-2	0	350.283	-0.497	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc2ccccc2[nH]c1=O)[C@H](O)C(=O)[O-]	ZINC001222082606	845706127	/nfs/dbraw/zinc/70/61/27/845706127.db2.gz	UUUZLNKPFKQQKZ-MADCSZMMSA-N	-2	0	350.283	-0.497	20	0		FBADRL
Cc1nc2ccccn2c(=O)c1CCOC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001222103370	845707493	/nfs/dbraw/zinc/70/74/93/845707493.db2.gz	BSVNACCQEKGFPX-LLVKDONJSA-N	-2	0	372.270	-0.441	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2nccs2)no1)[C@@H](O)C(=O)[O-]	ZINC001222797586	845733317	/nfs/dbraw/zinc/73/33/17/845733317.db2.gz	VAIRQPMQTXZFJR-SVGQVSJJSA-N	-2	0	357.300	-0.227	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2nccs2)no1)[C@H](O)C(=O)[O-]	ZINC001222797588	845733576	/nfs/dbraw/zinc/73/35/76/845733576.db2.gz	VAIRQPMQTXZFJR-XNCJUZBTSA-N	-2	0	357.300	-0.227	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2nccs2)no1)[C@H](O)C(=O)[O-]	ZINC001222797589	845733325	/nfs/dbraw/zinc/73/33/25/845733325.db2.gz	VAIRQPMQTXZFJR-XRGYYRRGSA-N	-2	0	357.300	-0.227	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2nccs2)no1)[C@@H](O)C(=O)[O-]	ZINC001222797590	845733492	/nfs/dbraw/zinc/73/34/92/845733492.db2.gz	VAIRQPMQTXZFJR-YLWLKBPMSA-N	-2	0	357.300	-0.227	20	0		FBADRL
O=C(OCc1nc(-c2nccs2)no1)[C@H](O)COP(=O)([O-])[O-]	ZINC001222801665	845732802	/nfs/dbraw/zinc/73/28/02/845732802.db2.gz	ZYVIMWOYGIYJNM-RXMQYKEDSA-N	-2	0	351.233	-0.294	20	0		FBADRL
COC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1	ZINC001222820504	845736087	/nfs/dbraw/zinc/73/60/87/845736087.db2.gz	BRBAUYXBCQLSIM-SNVBAGLBSA-N	-2	0	364.243	-0.005	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1cc(=O)n2ccsc2n1)[C@@H](O)C(=O)[O-]	ZINC001222890461	845737801	/nfs/dbraw/zinc/73/78/01/845737801.db2.gz	YOMDHNSWQXCKFJ-GMSGAONNSA-N	-2	0	356.312	-0.664	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1cc(=O)n2ccsc2n1)[C@@H](O)C(=O)[O-]	ZINC001222890462	845737889	/nfs/dbraw/zinc/73/78/89/845737889.db2.gz	YOMDHNSWQXCKFJ-OIBJUYFYSA-N	-2	0	356.312	-0.664	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1cc(=O)n2ccsc2n1)[C@H](O)C(=O)[O-]	ZINC001222890463	845737816	/nfs/dbraw/zinc/73/78/16/845737816.db2.gz	YOMDHNSWQXCKFJ-XCBNKYQSSA-N	-2	0	356.312	-0.664	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1cc(=O)n2ccsc2n1)[C@H](O)C(=O)[O-]	ZINC001222890464	845738354	/nfs/dbraw/zinc/73/83/54/845738354.db2.gz	YOMDHNSWQXCKFJ-XVKPBYJWSA-N	-2	0	356.312	-0.664	20	0		FBADRL
O=C(OCc1cc(=O)n2ccsc2n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001222890469	845738097	/nfs/dbraw/zinc/73/80/97/845738097.db2.gz	YQXOVCFRHXUKKK-SSDOTTSWSA-N	-2	0	350.245	-0.731	20	0		FBADRL
CCOC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001222979291	845740257	/nfs/dbraw/zinc/74/02/57/845740257.db2.gz	SHYVWFPYBFNBIL-CMPLNLGQSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001222979292	845739963	/nfs/dbraw/zinc/73/99/63/845739963.db2.gz	SHYVWFPYBFNBIL-JQWIXIFHSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001222979293	845740082	/nfs/dbraw/zinc/74/00/82/845740082.db2.gz	SHYVWFPYBFNBIL-PWSUYJOCSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001222979294	845740270	/nfs/dbraw/zinc/74/02/70/845740270.db2.gz	SHYVWFPYBFNBIL-ZYHUDNBSSA-N	-2	0	355.299	-0.162	20	0		FBADRL
COC(=O)c1ccc(OC)cc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001223009093	845741703	/nfs/dbraw/zinc/74/17/03/845741703.db2.gz	QYOHWZSCPZGXGB-LLVKDONJSA-N	-2	0	364.243	-0.005	20	0		FBADRL
Cc1noc(C)c1-c1nc(COC(=O)[C@H](O)COP(=O)([O-])[O-])no1	ZINC001223180917	845747442	/nfs/dbraw/zinc/74/74/42/845747442.db2.gz	OGXNCWBQTZIDSX-SSDOTTSWSA-N	-2	0	363.219	-0.145	20	0		FBADRL
COC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1OC	ZINC001223283175	845752350	/nfs/dbraw/zinc/75/23/50/845752350.db2.gz	ZZLLFHHIFVCQHW-SNVBAGLBSA-N	-2	0	364.243	-0.005	20	0		FBADRL
COC(=O)c1cccc(OC)c1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001223406717	845755296	/nfs/dbraw/zinc/75/52/96/845755296.db2.gz	YFWOPRVDTQOPTJ-SNVBAGLBSA-N	-2	0	364.243	-0.005	20	0		FBADRL
CS(=O)(=O)c1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001223441149	845757366	/nfs/dbraw/zinc/75/73/66/845757366.db2.gz	JSIAISCKBBIXQU-SNVBAGLBSA-N	-2	0	354.273	-0.397	20	0		FBADRL
CS(=O)(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001223441657	845757361	/nfs/dbraw/zinc/75/73/61/845757361.db2.gz	VHZOWRZFCHOQBT-CMPLNLGQSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001223441658	845757331	/nfs/dbraw/zinc/75/73/31/845757331.db2.gz	VHZOWRZFCHOQBT-JQWIXIFHSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001223441659	845757373	/nfs/dbraw/zinc/75/73/73/845757373.db2.gz	VHZOWRZFCHOQBT-PWSUYJOCSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001223441660	845757260	/nfs/dbraw/zinc/75/72/60/845757260.db2.gz	VHZOWRZFCHOQBT-ZYHUDNBSSA-N	-2	0	360.340	-0.330	20	0		FBADRL
COC(=O)Cc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001223482339	845758391	/nfs/dbraw/zinc/75/83/91/845758391.db2.gz	LGWGLBLXBUFBFY-BXUZGUMPSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)Cc1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001223482340	845758264	/nfs/dbraw/zinc/75/82/64/845758264.db2.gz	LGWGLBLXBUFBFY-FZMZJTMJSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)Cc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001223482341	845758536	/nfs/dbraw/zinc/75/85/36/845758536.db2.gz	LGWGLBLXBUFBFY-RISCZKNCSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)Cc1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001223482342	845758419	/nfs/dbraw/zinc/75/84/19/845758419.db2.gz	LGWGLBLXBUFBFY-SMDDNHRTSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1OC	ZINC001223483154	845758542	/nfs/dbraw/zinc/75/85/42/845758542.db2.gz	GUCYVLCIDKGIOE-KOLCDFICSA-N	-2	0	364.243	-0.077	20	0		FBADRL
COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1OC	ZINC001223483155	845758395	/nfs/dbraw/zinc/75/83/95/845758395.db2.gz	GUCYVLCIDKGIOE-MWLCHTKSSA-N	-2	0	364.243	-0.077	20	0		FBADRL
COC(=O)c1cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc(OC)c1	ZINC001223484268	845758013	/nfs/dbraw/zinc/75/80/13/845758013.db2.gz	AJYLJUUBRTVNJW-LLVKDONJSA-N	-2	0	364.243	-0.005	20	0		FBADRL
COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(OC)cc1	ZINC001223567156	845761038	/nfs/dbraw/zinc/76/10/38/845761038.db2.gz	WCEKTAIHMSJQRH-GHMZBOCLSA-N	-2	0	364.243	-0.077	20	0		FBADRL
COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccc(OC)cc1	ZINC001223567157	845760901	/nfs/dbraw/zinc/76/09/01/845760901.db2.gz	WCEKTAIHMSJQRH-MNOVXSKESA-N	-2	0	364.243	-0.077	20	0		FBADRL
Cc1noc(C(Cl)(Cl)OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001223696783	836098802	/nfs/dbraw/zinc/09/88/02/836098802.db2.gz	ABDRXBOBZSAUBB-SCSAIBSYSA-N	-2	0	351.035	-0.021	20	0		FBADRL
COC(=O)c1cc(OC)ccc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001223697339	845764357	/nfs/dbraw/zinc/76/43/57/845764357.db2.gz	UCZQKUKCSGYUEG-LLVKDONJSA-N	-2	0	364.243	-0.005	20	0		FBADRL
CCOC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223713610	845765088	/nfs/dbraw/zinc/76/50/88/845765088.db2.gz	JCGJIUZIANUPHQ-BXKDBHETSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223713611	845765233	/nfs/dbraw/zinc/76/52/33/845765233.db2.gz	JCGJIUZIANUPHQ-CABZTGNLSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223713619	845765100	/nfs/dbraw/zinc/76/51/00/845765100.db2.gz	JCGJIUZIANUPHQ-JOYOIKCWSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223713624	845765082	/nfs/dbraw/zinc/76/50/82/845765082.db2.gz	JCGJIUZIANUPHQ-SKDRFNHKSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CS(=O)(=O)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223716268	845765220	/nfs/dbraw/zinc/76/52/20/845765220.db2.gz	CAQRCNNNFGLHQM-BXKDBHETSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223716269	845765177	/nfs/dbraw/zinc/76/51/77/845765177.db2.gz	CAQRCNNNFGLHQM-CABZTGNLSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223716270	845765157	/nfs/dbraw/zinc/76/51/57/845765157.db2.gz	CAQRCNNNFGLHQM-JOYOIKCWSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223716271	845765016	/nfs/dbraw/zinc/76/50/16/845765016.db2.gz	CAQRCNNNFGLHQM-SKDRFNHKSA-N	-2	0	360.340	-0.330	20	0		FBADRL
CS(=O)(=O)c1ccccc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001223716518	845765074	/nfs/dbraw/zinc/76/50/74/845765074.db2.gz	GYYKOUKXSWSMCY-SECBINFHSA-N	-2	0	354.273	-0.397	20	0		FBADRL
O=C(OCc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001223746246	845766753	/nfs/dbraw/zinc/76/67/53/845766753.db2.gz	NAZIEFODBMSINM-SECBINFHSA-N	-3	0	356.245	-0.553	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(S(=O)(=O)[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001223746822	845767111	/nfs/dbraw/zinc/76/71/11/845767111.db2.gz	UGGHRNGGHCBCNT-GXSJLCMTSA-N	-3	0	362.312	-0.487	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001223746836	845766769	/nfs/dbraw/zinc/76/67/69/845766769.db2.gz	UGGHRNGGHCBCNT-KOLCDFICSA-N	-3	0	362.312	-0.487	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(S(=O)(=O)[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001223746839	845766569	/nfs/dbraw/zinc/76/65/69/845766569.db2.gz	UGGHRNGGHCBCNT-MWLCHTKSSA-N	-3	0	362.312	-0.487	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001223746842	845766457	/nfs/dbraw/zinc/76/64/57/845766457.db2.gz	UGGHRNGGHCBCNT-ONGXEEELSA-N	-3	0	362.312	-0.487	20	0		FBADRL
CCOC(=O)c1csc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223943847	845771169	/nfs/dbraw/zinc/77/11/69/845771169.db2.gz	HLFRSOLLLWNWJA-LDWIPMOCSA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1csc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223943848	845771163	/nfs/dbraw/zinc/77/11/63/845771163.db2.gz	HLFRSOLLLWNWJA-LHLIQPBNSA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1csc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223943849	845771756	/nfs/dbraw/zinc/77/17/56/845771756.db2.gz	HLFRSOLLLWNWJA-QUBYGPBYSA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1csc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223943850	845771382	/nfs/dbraw/zinc/77/13/82/845771382.db2.gz	HLFRSOLLLWNWJA-WKEGUHRASA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1csc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001223944585	845771125	/nfs/dbraw/zinc/77/11/25/845771125.db2.gz	QITHQWBKCKLQKQ-SSDOTTSWSA-N	-2	0	355.261	-0.167	20	0		FBADRL
COC(=O)c1ccc(OC)c(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001223970115	845771459	/nfs/dbraw/zinc/77/14/59/845771459.db2.gz	OOCVSNFFYLZLEC-SNVBAGLBSA-N	-2	0	364.243	-0.005	20	0		FBADRL
CNS(=O)(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001224000017	845772427	/nfs/dbraw/zinc/77/24/27/845772427.db2.gz	AAODYSGLOBSDFI-SNVBAGLBSA-N	-2	0	369.288	-0.892	20	0		FBADRL
CS(=O)(=O)Nc1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001224056227	845773906	/nfs/dbraw/zinc/77/39/06/845773906.db2.gz	XDCBCYDKNOKEIH-SNVBAGLBSA-N	-2	0	369.288	-0.429	20	0		FBADRL
CCOC(=O)c1cnc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])s1	ZINC001224123973	845775262	/nfs/dbraw/zinc/77/52/62/845775262.db2.gz	JRZKNPFTWTUCSW-LDWIPMOCSA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1cnc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])s1	ZINC001224123974	845775345	/nfs/dbraw/zinc/77/53/45/845775345.db2.gz	JRZKNPFTWTUCSW-LHLIQPBNSA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1cnc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])s1	ZINC001224123975	845775109	/nfs/dbraw/zinc/77/51/09/845775109.db2.gz	JRZKNPFTWTUCSW-QUBYGPBYSA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1cnc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])s1	ZINC001224123976	845775418	/nfs/dbraw/zinc/77/54/18/845775418.db2.gz	JRZKNPFTWTUCSW-WKEGUHRASA-N	-2	0	361.328	-0.101	20	0		FBADRL
CCOC(=O)c1cnc(COC(=O)[C@H](O)COP(=O)([O-])[O-])s1	ZINC001224124163	845775314	/nfs/dbraw/zinc/77/53/14/845775314.db2.gz	PNAPMCRRHAUCSZ-ZCFIWIBFSA-N	-2	0	355.261	-0.167	20	0		FBADRL
CCOC(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccn1	ZINC001224127689	845775140	/nfs/dbraw/zinc/77/51/40/845775140.db2.gz	AJQQAGTYQZLPFK-BXKDBHETSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccn1	ZINC001224127694	845775143	/nfs/dbraw/zinc/77/51/43/845775143.db2.gz	AJQQAGTYQZLPFK-CABZTGNLSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccn1	ZINC001224127696	845775081	/nfs/dbraw/zinc/77/50/81/845775081.db2.gz	AJQQAGTYQZLPFK-JOYOIKCWSA-N	-2	0	355.299	-0.162	20	0		FBADRL
CCOC(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccn1	ZINC001224127697	845775104	/nfs/dbraw/zinc/77/51/04/845775104.db2.gz	AJQQAGTYQZLPFK-SKDRFNHKSA-N	-2	0	355.299	-0.162	20	0		FBADRL
O=C(OCc1ncnn1Cc1ccccc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224153621	845776452	/nfs/dbraw/zinc/77/64/52/845776452.db2.gz	GBEPQRDXDFYQMY-LLVKDONJSA-N	-2	0	357.259	-0.160	20	0		FBADRL
COC(=O)c1c(COC(=O)[C@H](O)COP(=O)([O-])[O-])cccc1OC	ZINC001224168282	845777927	/nfs/dbraw/zinc/77/79/27/845777927.db2.gz	JIFGTMGFWFBOMH-SECBINFHSA-N	-2	0	364.243	-0.005	20	0		FBADRL
COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1cccc(OC)c1	ZINC001224179244	845777310	/nfs/dbraw/zinc/77/73/10/845777310.db2.gz	XXBHSZMMPMCFEM-GHMZBOCLSA-N	-2	0	364.243	-0.077	20	0		FBADRL
COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1cccc(OC)c1	ZINC001224179245	845777348	/nfs/dbraw/zinc/77/73/48/845777348.db2.gz	XXBHSZMMPMCFEM-MNOVXSKESA-N	-2	0	364.243	-0.077	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2cccnc2)no1)[C@@H](O)C(=O)[O-]	ZINC001224232939	845778331	/nfs/dbraw/zinc/77/83/31/845778331.db2.gz	OFEOZVHYPSJBLT-GZMMTYOYSA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2cccnc2)no1)[C@H](O)C(=O)[O-]	ZINC001224232940	845778309	/nfs/dbraw/zinc/77/83/09/845778309.db2.gz	OFEOZVHYPSJBLT-KCJUWKMLSA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2cccnc2)no1)[C@H](O)C(=O)[O-]	ZINC001224232941	845778962	/nfs/dbraw/zinc/77/89/62/845778962.db2.gz	OFEOZVHYPSJBLT-KWQFWETISA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2cccnc2)no1)[C@@H](O)C(=O)[O-]	ZINC001224232942	845778285	/nfs/dbraw/zinc/77/82/85/845778285.db2.gz	OFEOZVHYPSJBLT-LDYMZIIASA-N	-2	0	351.271	-0.289	20	0		FBADRL
COC(=O)Cc1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224237967	845778941	/nfs/dbraw/zinc/77/89/41/845778941.db2.gz	VSXJLSHOHWDDIK-BXUZGUMPSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)Cc1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224237972	845778953	/nfs/dbraw/zinc/77/89/53/845778953.db2.gz	VSXJLSHOHWDDIK-FZMZJTMJSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)Cc1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224237979	845778575	/nfs/dbraw/zinc/77/85/75/845778575.db2.gz	VSXJLSHOHWDDIK-RISCZKNCSA-N	-2	0	354.311	-0.018	20	0		FBADRL
COC(=O)Cc1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224237982	845778368	/nfs/dbraw/zinc/77/83/68/845778368.db2.gz	VSXJLSHOHWDDIK-SMDDNHRTSA-N	-2	0	354.311	-0.018	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2ccncc2)no1)[C@@H](O)C(=O)[O-]	ZINC001224247014	845780100	/nfs/dbraw/zinc/78/01/00/845780100.db2.gz	KMMVBYKURBSTKI-GZMMTYOYSA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2ccncc2)no1)[C@H](O)C(=O)[O-]	ZINC001224247015	845779473	/nfs/dbraw/zinc/77/94/73/845779473.db2.gz	KMMVBYKURBSTKI-KCJUWKMLSA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2ccncc2)no1)[C@H](O)C(=O)[O-]	ZINC001224247016	845780092	/nfs/dbraw/zinc/78/00/92/845780092.db2.gz	KMMVBYKURBSTKI-KWQFWETISA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2ccncc2)no1)[C@@H](O)C(=O)[O-]	ZINC001224247017	845779964	/nfs/dbraw/zinc/77/99/64/845779964.db2.gz	KMMVBYKURBSTKI-LDYMZIIASA-N	-2	0	351.271	-0.289	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2cnccn2)no1)[C@H](O)C(=O)[O-]	ZINC001224256004	845780115	/nfs/dbraw/zinc/78/01/15/845780115.db2.gz	GRBQUQQPIIRJMS-LDWIPMOCSA-N	-2	0	352.259	-0.894	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1nc(-c2cnccn2)no1)[C@@H](O)C(=O)[O-]	ZINC001224256005	845779894	/nfs/dbraw/zinc/77/98/94/845779894.db2.gz	GRBQUQQPIIRJMS-LHLIQPBNSA-N	-2	0	352.259	-0.894	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2cnccn2)no1)[C@@H](O)C(=O)[O-]	ZINC001224256006	845780109	/nfs/dbraw/zinc/78/01/09/845780109.db2.gz	GRBQUQQPIIRJMS-QUBYGPBYSA-N	-2	0	352.259	-0.894	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1nc(-c2cnccn2)no1)[C@H](O)C(=O)[O-]	ZINC001224256007	845779959	/nfs/dbraw/zinc/77/99/59/845779959.db2.gz	GRBQUQQPIIRJMS-WKEGUHRASA-N	-2	0	352.259	-0.894	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1cc(=O)n2ccccc2n1)[C@@H](O)C(=O)[O-]	ZINC001224260418	845780763	/nfs/dbraw/zinc/78/07/63/845780763.db2.gz	BZZSIYUXNDOUIC-NOZJJQNGSA-N	-2	0	350.283	-0.726	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OCc1cc(=O)n2ccccc2n1)[C@H](O)C(=O)[O-]	ZINC001224260419	845780576	/nfs/dbraw/zinc/78/05/76/845780576.db2.gz	BZZSIYUXNDOUIC-RNCFNFMXSA-N	-2	0	350.283	-0.726	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1cc(=O)n2ccccc2n1)[C@@H](O)C(=O)[O-]	ZINC001224260420	845781043	/nfs/dbraw/zinc/78/10/43/845781043.db2.gz	BZZSIYUXNDOUIC-TVQRCGJNSA-N	-2	0	350.283	-0.726	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OCc1cc(=O)n2ccccc2n1)[C@H](O)C(=O)[O-]	ZINC001224260421	845780860	/nfs/dbraw/zinc/78/08/60/845780860.db2.gz	BZZSIYUXNDOUIC-ZANVPECISA-N	-2	0	350.283	-0.726	20	0		FBADRL
CS(=O)(=O)c1ccc(CCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001224317707	845782073	/nfs/dbraw/zinc/78/20/73/845782073.db2.gz	OWBVCQFDHQPLAE-LLVKDONJSA-N	-2	0	368.300	-0.354	20	0		FBADRL
CS(=O)(=O)c1ccc(CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001224319526	845782247	/nfs/dbraw/zinc/78/22/47/845782247.db2.gz	ZYCUGDIIRVJZJU-AAEUAGOBSA-N	-2	0	374.367	-0.288	20	0		FBADRL
CS(=O)(=O)c1ccc(CCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001224319527	845781939	/nfs/dbraw/zinc/78/19/39/845781939.db2.gz	ZYCUGDIIRVJZJU-DGCLKSJQSA-N	-2	0	374.367	-0.288	20	0		FBADRL
CS(=O)(=O)c1ccc(CCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001224319528	845781949	/nfs/dbraw/zinc/78/19/49/845781949.db2.gz	ZYCUGDIIRVJZJU-WCQYABFASA-N	-2	0	374.367	-0.288	20	0		FBADRL
CS(=O)(=O)c1ccc(CCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001224319529	845782167	/nfs/dbraw/zinc/78/21/67/845782167.db2.gz	ZYCUGDIIRVJZJU-YPMHNXCESA-N	-2	0	374.367	-0.288	20	0		FBADRL
COC(=O)c1ccc(OCCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001224424799	845784082	/nfs/dbraw/zinc/78/40/82/845784082.db2.gz	MMOATARYZONDRD-LLVKDONJSA-N	-2	0	364.243	-0.135	20	0		FBADRL
COC(=O)c1cccc(OCCOC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001224426457	845784039	/nfs/dbraw/zinc/78/40/39/845784039.db2.gz	SJPNFRJDUZXXPE-LLVKDONJSA-N	-2	0	364.243	-0.135	20	0		FBADRL
CC(C)(C)OC(=O)N1CC(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C1	ZINC001224446331	845783973	/nfs/dbraw/zinc/78/39/73/845783973.db2.gz	MYYJMZKGKHDVGW-GXSJLCMTSA-N	-2	0	361.347	-0.067	20	0		FBADRL
CC(C)(C)OC(=O)N1CC(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C1	ZINC001224446332	845784092	/nfs/dbraw/zinc/78/40/92/845784092.db2.gz	MYYJMZKGKHDVGW-KOLCDFICSA-N	-2	0	361.347	-0.067	20	0		FBADRL
CC(C)(C)OC(=O)N1CC(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C1	ZINC001224446333	845784275	/nfs/dbraw/zinc/78/42/75/845784275.db2.gz	MYYJMZKGKHDVGW-MWLCHTKSSA-N	-2	0	361.347	-0.067	20	0		FBADRL
CC(C)(C)OC(=O)N1CC(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C1	ZINC001224446334	845784308	/nfs/dbraw/zinc/78/43/08/845784308.db2.gz	MYYJMZKGKHDVGW-ONGXEEELSA-N	-2	0	361.347	-0.067	20	0		FBADRL
CC(C)(C)OC(=O)N1CC(COC(=O)[C@H](O)COP(=O)([O-])[O-])C1	ZINC001224446624	845784237	/nfs/dbraw/zinc/78/42/37/845784237.db2.gz	NYTYQSDUNBXSFW-SECBINFHSA-N	-2	0	355.280	-0.133	20	0		FBADRL
COc1cccc(NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001224454145	845783839	/nfs/dbraw/zinc/78/38/39/845783839.db2.gz	SZBGBBJXZWLJSU-GWCFXTLKSA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1cccc(NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001224454157	845784078	/nfs/dbraw/zinc/78/40/78/845784078.db2.gz	SZBGBBJXZWLJSU-GXFFZTMASA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1cccc(NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001224454233	845784048	/nfs/dbraw/zinc/78/40/48/845784048.db2.gz	SZBGBBJXZWLJSU-MFKMUULPSA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1cccc(NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001224454234	845784120	/nfs/dbraw/zinc/78/41/20/845784120.db2.gz	SZBGBBJXZWLJSU-ZWNOBZJWSA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccccc1NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224459134	845785207	/nfs/dbraw/zinc/78/52/07/845785207.db2.gz	DYUDJYXTLVZCHR-AMIZOPFISA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccccc1NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224459135	845785340	/nfs/dbraw/zinc/78/53/40/845785340.db2.gz	DYUDJYXTLVZCHR-ISVAXAHUSA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccccc1NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224459136	845784963	/nfs/dbraw/zinc/78/49/63/845784963.db2.gz	DYUDJYXTLVZCHR-OQPBUACISA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccccc1NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224459137	845784834	/nfs/dbraw/zinc/78/48/34/845784834.db2.gz	DYUDJYXTLVZCHR-SDBXPKJASA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccc(NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001224699130	845790291	/nfs/dbraw/zinc/79/02/91/845790291.db2.gz	QKYUJONGYMFQEM-GWCFXTLKSA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccc(NC(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001224699131	845790305	/nfs/dbraw/zinc/79/03/05/845790305.db2.gz	QKYUJONGYMFQEM-GXFFZTMASA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccc(NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001224699132	845790522	/nfs/dbraw/zinc/79/05/22/845790522.db2.gz	QKYUJONGYMFQEM-MFKMUULPSA-N	-2	0	355.299	-0.287	20	0		FBADRL
COc1ccc(NC(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001224699133	845790696	/nfs/dbraw/zinc/79/06/96/845790696.db2.gz	QKYUJONGYMFQEM-ZWNOBZJWSA-N	-2	0	355.299	-0.287	20	0		FBADRL
O=C(OCCc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224904158	845794676	/nfs/dbraw/zinc/79/46/76/845794676.db2.gz	ZAJYAFCICRMYPR-SNVBAGLBSA-N	-3	0	370.272	-0.511	20	0		FBADRL
O=[P@@]([O-])(O)CCCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001225023545	845797672	/nfs/dbraw/zinc/79/76/72/845797672.db2.gz	XWEPGSJIJZUOFE-LLVKDONJSA-N	-2	0	361.353	-0.451	20	0		FBADRL
O=[P@@]([O-])(O)CCCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001225023546	845797448	/nfs/dbraw/zinc/79/74/48/845797448.db2.gz	XWEPGSJIJZUOFE-NSHDSACASA-N	-2	0	361.353	-0.451	20	0		FBADRL
CSc1nc2nc(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n2n1	ZINC001225539693	845805323	/nfs/dbraw/zinc/80/53/23/845805323.db2.gz	FVADPQCPCOAJBB-HZGVNTEJSA-N	-2	0	370.343	-0.404	20	0		FBADRL
CSc1nc2nc(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n2n1	ZINC001225539696	845805555	/nfs/dbraw/zinc/80/55/55/845805555.db2.gz	FVADPQCPCOAJBB-IMTBSYHQSA-N	-2	0	370.343	-0.404	20	0		FBADRL
CSc1nc2nc(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n2n1	ZINC001225539698	845805588	/nfs/dbraw/zinc/80/55/88/845805588.db2.gz	FVADPQCPCOAJBB-MUWHJKNJSA-N	-2	0	370.343	-0.404	20	0		FBADRL
CSc1nc2nc(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n2n1	ZINC001225539700	845805217	/nfs/dbraw/zinc/80/52/17/845805217.db2.gz	FVADPQCPCOAJBB-RCOVLWMOSA-N	-2	0	370.343	-0.404	20	0		FBADRL
CSc1nc2nc(C)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n2n1	ZINC001225539761	845805069	/nfs/dbraw/zinc/80/50/69/845805069.db2.gz	GTROZPWDYDDICA-ZCFIWIBFSA-N	-2	0	364.276	-0.470	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1C(F)(F)F)[C@@H](O)C(=O)[O-]	ZINC001225577012	845805414	/nfs/dbraw/zinc/80/54/14/845805414.db2.gz	QWIGOEAKAHQTHK-AWFVSMACSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1C(F)(F)F)[C@@H](O)C(=O)[O-]	ZINC001225577017	845805540	/nfs/dbraw/zinc/80/55/40/845805540.db2.gz	QWIGOEAKAHQTHK-BBIVZNJYSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1C(F)(F)F)[C@H](O)C(=O)[O-]	ZINC001225577019	845804841	/nfs/dbraw/zinc/80/48/41/845804841.db2.gz	QWIGOEAKAHQTHK-CVYQJGLWSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1C(F)(F)F)[C@H](O)C(=O)[O-]	ZINC001225577021	845805466	/nfs/dbraw/zinc/80/54/66/845805466.db2.gz	QWIGOEAKAHQTHK-DZSWIPIPSA-N	-3	0	354.193	-0.357	20	0		FBADRL
COC(=O)c1ccc(OC)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225596407	845805311	/nfs/dbraw/zinc/80/53/11/845805311.db2.gz	IGMPVBDJPWGVED-BXKDBHETSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225596772	845805454	/nfs/dbraw/zinc/80/54/54/845805454.db2.gz	IGMPVBDJPWGVED-CABZTGNLSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225596774	845805567	/nfs/dbraw/zinc/80/55/67/845805567.db2.gz	IGMPVBDJPWGVED-JOYOIKCWSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225596776	845804966	/nfs/dbraw/zinc/80/49/66/845804966.db2.gz	IGMPVBDJPWGVED-SKDRFNHKSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225600153	845805534	/nfs/dbraw/zinc/80/55/34/845805534.db2.gz	UUJZQXHPHUGTPL-SECBINFHSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1cc(OC)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225813713	845810905	/nfs/dbraw/zinc/81/09/05/845810905.db2.gz	BZNAARQUMODXQI-SECBINFHSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1cc(OC)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225815737	845810583	/nfs/dbraw/zinc/81/05/83/845810583.db2.gz	FHGQMJZDCYXMCC-BXKDBHETSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(OC)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225815742	845810848	/nfs/dbraw/zinc/81/08/48/845810848.db2.gz	FHGQMJZDCYXMCC-CABZTGNLSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(OC)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225815748	845810652	/nfs/dbraw/zinc/81/06/52/845810652.db2.gz	FHGQMJZDCYXMCC-JOYOIKCWSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(OC)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225815752	845810813	/nfs/dbraw/zinc/81/08/13/845810813.db2.gz	FHGQMJZDCYXMCC-SKDRFNHKSA-N	-2	0	356.283	-0.076	20	0		FBADRL
CCOC(=O)c1c[nH]c(=O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225822549	845810667	/nfs/dbraw/zinc/81/06/67/845810667.db2.gz	QHGJCFFBUGAVHD-SSDOTTSWSA-N	-2	0	351.204	-0.661	20	0		FBADRL
CCOC(=O)c1c[nH]c(=O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225822842	845810818	/nfs/dbraw/zinc/81/08/18/845810818.db2.gz	UDXXWHLIKMZCSN-KBUNVGBDSA-N	-2	0	357.271	-0.594	20	0		FBADRL
CCOC(=O)c1c[nH]c(=O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225822856	845810833	/nfs/dbraw/zinc/81/08/33/845810833.db2.gz	UDXXWHLIKMZCSN-KGFZYKRKSA-N	-2	0	357.271	-0.594	20	0		FBADRL
CCOC(=O)c1c[nH]c(=O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225822860	845810677	/nfs/dbraw/zinc/81/06/77/845810677.db2.gz	UDXXWHLIKMZCSN-KSBSHMNSSA-N	-2	0	357.271	-0.594	20	0		FBADRL
CCOC(=O)c1c[nH]c(=O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225822863	845810607	/nfs/dbraw/zinc/81/06/07/845810607.db2.gz	UDXXWHLIKMZCSN-UPONEAKYSA-N	-2	0	357.271	-0.594	20	0		FBADRL
CCOC(=O)c1cnc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225932314	845813364	/nfs/dbraw/zinc/81/33/64/845813364.db2.gz	FQPYGLXNLJRYGX-GMSGAONNSA-N	-2	0	356.287	-0.596	20	0		FBADRL
CCOC(=O)c1cnc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225932315	845812646	/nfs/dbraw/zinc/81/26/46/845812646.db2.gz	FQPYGLXNLJRYGX-OIBJUYFYSA-N	-2	0	356.287	-0.596	20	0		FBADRL
CCOC(=O)c1cnc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225932316	845813054	/nfs/dbraw/zinc/81/30/54/845813054.db2.gz	FQPYGLXNLJRYGX-XCBNKYQSSA-N	-2	0	356.287	-0.596	20	0		FBADRL
CCOC(=O)c1cnc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225932317	845812567	/nfs/dbraw/zinc/81/25/67/845812567.db2.gz	FQPYGLXNLJRYGX-XVKPBYJWSA-N	-2	0	356.287	-0.596	20	0		FBADRL
CCOC(=O)c1cnc(C)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225935098	845813160	/nfs/dbraw/zinc/81/31/60/845813160.db2.gz	WXABWMKDZJRMOQ-MRVPVSSYSA-N	-2	0	350.220	-0.663	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[n-]1)[C@@H](O)C(=O)[O-]	ZINC001225978448	845813970	/nfs/dbraw/zinc/81/39/70/845813970.db2.gz	RHKFDANPLFSWST-CLTAVNFZSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[n-]1)[C@H](O)C(=O)[O-]	ZINC001225978450	845814360	/nfs/dbraw/zinc/81/43/60/845814360.db2.gz	RHKFDANPLFSWST-NFNCENRGSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[n-]1)[C@H](O)C(=O)[O-]	ZINC001225978451	845814029	/nfs/dbraw/zinc/81/40/29/845814029.db2.gz	RHKFDANPLFSWST-NOWQDGDBSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc(C(F)(F)F)cc(=O)[n-]1)[C@@H](O)C(=O)[O-]	ZINC001225978452	845814342	/nfs/dbraw/zinc/81/43/42/845814342.db2.gz	RHKFDANPLFSWST-WVBDSBKLSA-N	-3	0	354.193	-0.357	20	0		FBADRL
NC(=O)c1ccc(C(F)(F)F)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225999349	845813809	/nfs/dbraw/zinc/81/38/09/845813809.db2.gz	WKFLSHNPWPQGMP-RXMQYKEDSA-N	-2	0	374.164	-0.425	20	0		FBADRL
CCOC(=O)c1c(O)cc(C)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226022158	845815831	/nfs/dbraw/zinc/81/58/31/845815831.db2.gz	CVPMYUNIYPZTKM-MRVPVSSYSA-N	-2	0	365.231	-0.352	20	0		FBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(F)c1	ZINC001226085783	845817666	/nfs/dbraw/zinc/81/76/66/845817666.db2.gz	MPRDRLGIRUMQGE-MRVPVSSYSA-N	-2	0	358.236	-0.395	20	0		FBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1	ZINC001226086251	845817869	/nfs/dbraw/zinc/81/78/69/845817869.db2.gz	RJGGALNTCVEXQR-CPCISQLKSA-N	-2	0	364.303	-0.329	20	0		FBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(F)c1	ZINC001226086252	845818178	/nfs/dbraw/zinc/81/81/78/845818178.db2.gz	RJGGALNTCVEXQR-HQJQHLMTSA-N	-2	0	364.303	-0.329	20	0		FBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1	ZINC001226086253	845818079	/nfs/dbraw/zinc/81/80/79/845818079.db2.gz	RJGGALNTCVEXQR-RDDDGLTNSA-N	-2	0	364.303	-0.329	20	0		FBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(F)c1	ZINC001226086254	845817560	/nfs/dbraw/zinc/81/75/60/845817560.db2.gz	RJGGALNTCVEXQR-WRWORJQWSA-N	-2	0	364.303	-0.329	20	0		FBADRL
CC(C)(C)C(=O)Nc1ccncc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226096500	845818120	/nfs/dbraw/zinc/81/81/20/845818120.db2.gz	LVFMGOVQWVSUOM-SECBINFHSA-N	-2	0	362.275	-0.136	20	0		FBADRL
COCc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc(SC)n1	ZINC001226164541	845819209	/nfs/dbraw/zinc/81/92/09/845819209.db2.gz	HNUYAJKZRUPGFH-SSDOTTSWSA-N	-2	0	354.277	-0.280	20	0		FBADRL
COCc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(SC)n1	ZINC001226165924	845819225	/nfs/dbraw/zinc/81/92/25/845819225.db2.gz	MWJLNBNISJVDTR-GMSGAONNSA-N	-2	0	360.344	-0.213	20	0		FBADRL
COCc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc(SC)n1	ZINC001226165927	845818769	/nfs/dbraw/zinc/81/87/69/845818769.db2.gz	MWJLNBNISJVDTR-OIBJUYFYSA-N	-2	0	360.344	-0.213	20	0		FBADRL
COCc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(SC)n1	ZINC001226165929	845819222	/nfs/dbraw/zinc/81/92/22/845819222.db2.gz	MWJLNBNISJVDTR-XCBNKYQSSA-N	-2	0	360.344	-0.213	20	0		FBADRL
COCc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc(SC)n1	ZINC001226165932	845818740	/nfs/dbraw/zinc/81/87/40/845818740.db2.gz	MWJLNBNISJVDTR-XVKPBYJWSA-N	-2	0	360.344	-0.213	20	0		FBADRL
COC(=O)COc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001226225790	845820057	/nfs/dbraw/zinc/82/00/57/845820057.db2.gz	GJCNCXBORDPSHN-SNVBAGLBSA-N	-2	0	350.216	-0.386	20	0		FBADRL
COC(=O)COc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001226228953	845819390	/nfs/dbraw/zinc/81/93/90/845819390.db2.gz	YHHISWFRDUVTBQ-GWCFXTLKSA-N	-2	0	356.283	-0.320	20	0		FBADRL
COC(=O)COc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001226229039	845820010	/nfs/dbraw/zinc/82/00/10/845820010.db2.gz	YHHISWFRDUVTBQ-GXFFZTMASA-N	-2	0	356.283	-0.320	20	0		FBADRL
COC(=O)COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001226229040	845820173	/nfs/dbraw/zinc/82/01/73/845820173.db2.gz	YHHISWFRDUVTBQ-MFKMUULPSA-N	-2	0	356.283	-0.320	20	0		FBADRL
COC(=O)COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001226229043	845820098	/nfs/dbraw/zinc/82/00/98/845820098.db2.gz	YHHISWFRDUVTBQ-ZWNOBZJWSA-N	-2	0	356.283	-0.320	20	0		FBADRL
COC(=O)c1ccc2[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c1	ZINC001226259887	845820975	/nfs/dbraw/zinc/82/09/75/845820975.db2.gz	WQUHCZGBSKTNRO-SECBINFHSA-N	-3	0	360.215	-0.275	20	0		FBADRL
COC(=O)c1ccc(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001226272506	845820882	/nfs/dbraw/zinc/82/08/82/845820882.db2.gz	CJKOGTLABDDKBF-MRVPVSSYSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1ccc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001226275137	845821151	/nfs/dbraw/zinc/82/11/51/845821151.db2.gz	LNUODHPXZKSVTQ-PELKAZGASA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001226275140	845821001	/nfs/dbraw/zinc/82/10/01/845821001.db2.gz	LNUODHPXZKSVTQ-PRHODGIISA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001226275142	845820785	/nfs/dbraw/zinc/82/07/85/845820785.db2.gz	LNUODHPXZKSVTQ-QPUJVOFHSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001226275144	845820582	/nfs/dbraw/zinc/82/05/82/845820582.db2.gz	LNUODHPXZKSVTQ-UFBFGSQYSA-N	-2	0	356.283	-0.076	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(=O)[n-]c(C(F)(F)F)n1)[C@@H](O)C(=O)[O-]	ZINC001226345291	845823224	/nfs/dbraw/zinc/82/32/24/845823224.db2.gz	ADOPZTWRAIUBKM-CLTAVNFZSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[n-]c(C(F)(F)F)n1)[C@H](O)C(=O)[O-]	ZINC001226345293	845823932	/nfs/dbraw/zinc/82/39/32/845823932.db2.gz	ADOPZTWRAIUBKM-NFNCENRGSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(=O)[n-]c(C(F)(F)F)n1)[C@H](O)C(=O)[O-]	ZINC001226345295	845824108	/nfs/dbraw/zinc/82/41/08/845824108.db2.gz	ADOPZTWRAIUBKM-NOWQDGDBSA-N	-3	0	354.193	-0.357	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[n-]c(C(F)(F)F)n1)[C@@H](O)C(=O)[O-]	ZINC001226345297	845824047	/nfs/dbraw/zinc/82/40/47/845824047.db2.gz	ADOPZTWRAIUBKM-WVBDSBKLSA-N	-3	0	354.193	-0.357	20	0		FBADRL
COC(=O)Cc1ccc(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001226372932	845824168	/nfs/dbraw/zinc/82/41/68/845824168.db2.gz	KETBGHMKDBJJAE-SECBINFHSA-N	-2	0	364.243	-0.214	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ccc(F)cc21)[C@@H](O)C(=O)[O-]	ZINC001226407840	845824784	/nfs/dbraw/zinc/82/47/84/845824784.db2.gz	YTXDNFHTJQJDOX-GMSGAONNSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ccc(F)cc21)[C@@H](O)C(=O)[O-]	ZINC001226407841	845824961	/nfs/dbraw/zinc/82/49/61/845824961.db2.gz	YTXDNFHTJQJDOX-OIBJUYFYSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ccc(F)cc21)[C@H](O)C(=O)[O-]	ZINC001226407842	845825377	/nfs/dbraw/zinc/82/53/77/845825377.db2.gz	YTXDNFHTJQJDOX-XCBNKYQSSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ccc(F)cc21)[C@H](O)C(=O)[O-]	ZINC001226407843	845825441	/nfs/dbraw/zinc/82/54/41/845825441.db2.gz	YTXDNFHTJQJDOX-XVKPBYJWSA-N	-3	0	354.246	-0.084	20	0		FBADRL
COC(=O)CSc1nccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001226414094	845825052	/nfs/dbraw/zinc/82/50/52/845825052.db2.gz	ATVSSQRPYSXAPT-LDWIPMOCSA-N	-2	0	374.327	-0.817	20	0		FBADRL
COC(=O)CSc1nccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001226414095	845825316	/nfs/dbraw/zinc/82/53/16/845825316.db2.gz	ATVSSQRPYSXAPT-LHLIQPBNSA-N	-2	0	374.327	-0.817	20	0		FBADRL
COC(=O)CSc1nccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001226414096	845824999	/nfs/dbraw/zinc/82/49/99/845824999.db2.gz	ATVSSQRPYSXAPT-QUBYGPBYSA-N	-2	0	374.327	-0.817	20	0		FBADRL
COC(=O)CSc1nccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001226414097	845825469	/nfs/dbraw/zinc/82/54/69/845825469.db2.gz	ATVSSQRPYSXAPT-WKEGUHRASA-N	-2	0	374.327	-0.817	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(O)cc1S(=O)(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226415351	845825434	/nfs/dbraw/zinc/82/54/34/845825434.db2.gz	DUQTXHQKZOTHDQ-LDWIPMOCSA-N	-3	0	364.284	-0.919	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(O)cc1S(=O)(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226415352	845824878	/nfs/dbraw/zinc/82/48/78/845824878.db2.gz	DUQTXHQKZOTHDQ-LHLIQPBNSA-N	-3	0	364.284	-0.919	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(O)cc1S(=O)(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226415353	845824991	/nfs/dbraw/zinc/82/49/91/845824991.db2.gz	DUQTXHQKZOTHDQ-QUBYGPBYSA-N	-3	0	364.284	-0.919	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(O)cc1S(=O)(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226415354	845825408	/nfs/dbraw/zinc/82/54/08/845825408.db2.gz	DUQTXHQKZOTHDQ-WKEGUHRASA-N	-3	0	364.284	-0.919	20	0		FBADRL
O=C(Oc1ccc(O)cc1S(=O)(=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001226415408	845825102	/nfs/dbraw/zinc/82/51/02/845825102.db2.gz	GHNRONNWPPOCPP-ZCFIWIBFSA-N	-3	0	358.217	-0.986	20	0		FBADRL
COC(=O)CSc1nccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001226416075	845825181	/nfs/dbraw/zinc/82/51/81/845825181.db2.gz	DGCZQTSXFOOMPS-ZCFIWIBFSA-N	-2	0	368.260	-0.883	20	0		FBADRL
Cc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c(F)c(=O)[n-]1	ZINC001226421651	845825071	/nfs/dbraw/zinc/82/50/71/845825071.db2.gz	PGNCCGFJKDLPPM-SECBINFHSA-N	-2	0	351.356	-0.403	20	0		FBADRL
Cc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c(F)c(=O)[n-]1	ZINC001226421659	845825014	/nfs/dbraw/zinc/82/50/14/845825014.db2.gz	PGNCCGFJKDLPPM-VIFPVBQESA-N	-2	0	351.356	-0.403	20	0		FBADRL
O=C(Oc1[n-]c(=O)nc2nc(Cl)ccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001226553499	845827455	/nfs/dbraw/zinc/82/74/55/845827455.db2.gz	NWJAGMYHSFGCEV-RXMQYKEDSA-N	-3	0	365.622	-0.241	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2nc(Cl)ccc21)[C@@H](O)C(=O)[O-]	ZINC001226556834	845826879	/nfs/dbraw/zinc/82/68/79/845826879.db2.gz	SCNMMNDHUIUQIN-SVGQVSJJSA-N	-3	0	371.689	-0.174	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2nc(Cl)ccc21)[C@H](O)C(=O)[O-]	ZINC001226556837	845827572	/nfs/dbraw/zinc/82/75/72/845827572.db2.gz	SCNMMNDHUIUQIN-XNCJUZBTSA-N	-3	0	371.689	-0.174	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2nc(Cl)ccc21)[C@H](O)C(=O)[O-]	ZINC001226556838	845827183	/nfs/dbraw/zinc/82/71/83/845827183.db2.gz	SCNMMNDHUIUQIN-XRGYYRRGSA-N	-3	0	371.689	-0.174	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2nc(Cl)ccc21)[C@@H](O)C(=O)[O-]	ZINC001226556840	845827538	/nfs/dbraw/zinc/82/75/38/845827538.db2.gz	SCNMMNDHUIUQIN-YLWLKBPMSA-N	-3	0	371.689	-0.174	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1c(O)ccc2ccc(=O)oc21)[C@H](O)C(=O)[O-]	ZINC001226600501	845830852	/nfs/dbraw/zinc/83/08/52/845830852.db2.gz	XOMRFKLWXQKDJV-CPCISQLKSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1c(O)ccc2ccc(=O)oc21)[C@H](O)C(=O)[O-]	ZINC001226600504	845830863	/nfs/dbraw/zinc/83/08/63/845830863.db2.gz	XOMRFKLWXQKDJV-HQJQHLMTSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1c(O)ccc2ccc(=O)oc21)[C@@H](O)C(=O)[O-]	ZINC001226600507	845830381	/nfs/dbraw/zinc/83/03/81/845830381.db2.gz	XOMRFKLWXQKDJV-RDDDGLTNSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1c(O)ccc2ccc(=O)oc21)[C@@H](O)C(=O)[O-]	ZINC001226600510	845830428	/nfs/dbraw/zinc/83/04/28/845830428.db2.gz	XOMRFKLWXQKDJV-WRWORJQWSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=c1nc2cnncc2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001226689317	845834108	/nfs/dbraw/zinc/83/41/08/845834108.db2.gz	ZROPAGKIKGTNMG-SECBINFHSA-N	-2	0	371.375	-0.907	20	0		FBADRL
O=c1nc2cnncc2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001226689322	845834414	/nfs/dbraw/zinc/83/44/14/845834414.db2.gz	ZROPAGKIKGTNMG-VIFPVBQESA-N	-2	0	371.375	-0.907	20	0		FBADRL
COc1nccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncnc21	ZINC001226714417	845834887	/nfs/dbraw/zinc/83/48/87/845834887.db2.gz	FNEZPLATFBPRRZ-GMSGAONNSA-N	-2	0	351.271	-0.525	20	0		FBADRL
COc1nccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncnc21	ZINC001226714418	845834457	/nfs/dbraw/zinc/83/44/57/845834457.db2.gz	FNEZPLATFBPRRZ-OIBJUYFYSA-N	-2	0	351.271	-0.525	20	0		FBADRL
COc1nccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncnc21	ZINC001226714419	845834924	/nfs/dbraw/zinc/83/49/24/845834924.db2.gz	FNEZPLATFBPRRZ-XCBNKYQSSA-N	-2	0	351.271	-0.525	20	0		FBADRL
COc1nccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncnc21	ZINC001226714420	845834498	/nfs/dbraw/zinc/83/44/98/845834498.db2.gz	FNEZPLATFBPRRZ-XVKPBYJWSA-N	-2	0	351.271	-0.525	20	0		FBADRL
Cc1ncc(Br)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001226718594	845834448	/nfs/dbraw/zinc/83/44/48/845834448.db2.gz	ACHVLFZOROBYOJ-ZCFIWIBFSA-N	-2	0	357.053	-0.077	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc[n-]c(=O)c1Br)[C@@H](O)C(=O)[O-]	ZINC001226720544	845834741	/nfs/dbraw/zinc/83/47/41/845834741.db2.gz	AKMCIBAZNISUOF-AWFVSMACSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1nc[n-]c(=O)c1Br)[C@@H](O)C(=O)[O-]	ZINC001226720545	845834694	/nfs/dbraw/zinc/83/46/94/845834694.db2.gz	AKMCIBAZNISUOF-BBIVZNJYSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc[n-]c(=O)c1Br)[C@H](O)C(=O)[O-]	ZINC001226720548	845834167	/nfs/dbraw/zinc/83/41/67/845834167.db2.gz	AKMCIBAZNISUOF-CVYQJGLWSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1nc[n-]c(=O)c1Br)[C@H](O)C(=O)[O-]	ZINC001226720550	845834647	/nfs/dbraw/zinc/83/46/47/845834647.db2.gz	AKMCIBAZNISUOF-DZSWIPIPSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C(Oc1nc[n-]c(=O)c1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001226721146	845834461	/nfs/dbraw/zinc/83/44/61/845834461.db2.gz	GDUJWHHJBPAAOR-GSVOUGTGSA-N	-3	0	359.025	-0.680	20	0		FBADRL
Cc1ncc(Br)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001226726067	845835712	/nfs/dbraw/zinc/83/57/12/845835712.db2.gz	ZRNYAEDLMCXDRA-SVGQVSJJSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1ncc(Br)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001226726074	845836074	/nfs/dbraw/zinc/83/60/74/845836074.db2.gz	ZRNYAEDLMCXDRA-XNCJUZBTSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1ncc(Br)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001226726080	845836100	/nfs/dbraw/zinc/83/61/00/845836100.db2.gz	ZRNYAEDLMCXDRA-XRGYYRRGSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1ncc(Br)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001226726087	845835513	/nfs/dbraw/zinc/83/55/13/845835513.db2.gz	ZRNYAEDLMCXDRA-YLWLKBPMSA-N	-2	0	363.120	-0.011	20	0		FBADRL
O=C([O-])CC[C@@H](O)C(=O)Oc1[n-]c(=O)ncc1I	ZINC001226770533	845835492	/nfs/dbraw/zinc/83/54/92/845835492.db2.gz	FLCRGGCJDSBQNH-RXMQYKEDSA-N	-2	0	368.083	-0.082	20	0		FBADRL
O=C([O-])C[C@H](O)C(=O)Oc1[n-]c(=O)ncc1I	ZINC001226771042	845836080	/nfs/dbraw/zinc/83/60/80/845836080.db2.gz	ORZWKMNZDFKBPZ-BYPYZUCNSA-N	-2	0	354.056	-0.472	20	0		FBADRL
O=C([O-])C[C@@H](O)C(=O)Oc1[n-]c(=O)ncc1I	ZINC001226771043	845836312	/nfs/dbraw/zinc/83/63/12/845836312.db2.gz	ORZWKMNZDFKBPZ-SCSAIBSYSA-N	-2	0	354.056	-0.472	20	0		FBADRL
Cc1nc(=O)[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Br	ZINC001226787383	845836892	/nfs/dbraw/zinc/83/68/92/845836892.db2.gz	HFJYPEJONQKUJS-SCSAIBSYSA-N	-3	0	373.052	-0.371	20	0		FBADRL
O=C(Oc1n[n-]c(=O)cc1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001226848872	845838861	/nfs/dbraw/zinc/83/88/61/845838861.db2.gz	IGZXUVLHUQPLJZ-SCSAIBSYSA-N	-3	0	359.025	-0.680	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1n[n-]c(=O)cc1Br)[C@@H](O)C(=O)[O-]	ZINC001226849127	845838753	/nfs/dbraw/zinc/83/87/53/845838753.db2.gz	KMUGAIPTPNOHMR-CLTAVNFZSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[n-]c(=O)cc1Br)[C@H](O)C(=O)[O-]	ZINC001226849128	845838484	/nfs/dbraw/zinc/83/84/84/845838484.db2.gz	KMUGAIPTPNOHMR-NFNCENRGSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1n[n-]c(=O)cc1Br)[C@H](O)C(=O)[O-]	ZINC001226849129	845838502	/nfs/dbraw/zinc/83/85/02/845838502.db2.gz	KMUGAIPTPNOHMR-NOWQDGDBSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[n-]c(=O)cc1Br)[C@@H](O)C(=O)[O-]	ZINC001226849130	845838413	/nfs/dbraw/zinc/83/84/13/845838413.db2.gz	KMUGAIPTPNOHMR-WVBDSBKLSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=c1nc2nccnc2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001226992576	845842289	/nfs/dbraw/zinc/84/22/89/845842289.db2.gz	VULKULKKXGHPIC-SECBINFHSA-N	-2	0	371.375	-0.907	20	0		FBADRL
O=c1nc2nccnc2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001226992581	845841989	/nfs/dbraw/zinc/84/19/89/845841989.db2.gz	VULKULKKXGHPIC-VIFPVBQESA-N	-2	0	371.375	-0.907	20	0		FBADRL
COc1cc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2cc1O	ZINC001227011206	845841975	/nfs/dbraw/zinc/84/19/75/845841975.db2.gz	FHQSVOMHGLRZJF-SECBINFHSA-N	-2	0	360.215	-0.280	20	0		FBADRL
O=c1nc2nc[nH]c2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001227068718	845843783	/nfs/dbraw/zinc/84/37/83/845843783.db2.gz	CJXROJAIUQSQBP-MRVPVSSYSA-N	-2	0	359.364	-0.974	20	0		FBADRL
O=c1nc2nc[nH]c2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001227068719	845843730	/nfs/dbraw/zinc/84/37/30/845843730.db2.gz	CJXROJAIUQSQBP-QMMMGPOBSA-N	-2	0	359.364	-0.974	20	0		FBADRL
O=C(Oc1[n-]c(=O)ncc1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001227138218	845846189	/nfs/dbraw/zinc/84/61/89/845846189.db2.gz	OUKKRIBEOVHVPL-SCSAIBSYSA-N	-3	0	359.025	-0.680	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1Br)[C@@H](O)C(=O)[O-]	ZINC001227138704	845845708	/nfs/dbraw/zinc/84/57/08/845845708.db2.gz	UJBLQSFXGRVSAT-AWFVSMACSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1Br)[C@@H](O)C(=O)[O-]	ZINC001227138705	845845470	/nfs/dbraw/zinc/84/54/70/845845470.db2.gz	UJBLQSFXGRVSAT-BBIVZNJYSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1Br)[C@H](O)C(=O)[O-]	ZINC001227138706	845846219	/nfs/dbraw/zinc/84/62/19/845846219.db2.gz	UJBLQSFXGRVSAT-CVYQJGLWSA-N	-3	0	365.092	-0.614	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1Br)[C@H](O)C(=O)[O-]	ZINC001227138707	845845517	/nfs/dbraw/zinc/84/55/17/845845517.db2.gz	UJBLQSFXGRVSAT-DZSWIPIPSA-N	-3	0	365.092	-0.614	20	0		FBADRL
CCOC(=O)c1cccc(O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227160970	845846006	/nfs/dbraw/zinc/84/60/06/845846006.db2.gz	WGNYNVNQKBLBQQ-SECBINFHSA-N	-2	0	350.216	-0.056	20	0		FBADRL
COCC(=O)c1ccc([O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227171502	845846031	/nfs/dbraw/zinc/84/60/31/845846031.db2.gz	DCFFKHDVNPNFBF-SNVBAGLBSA-N	-2	0	350.216	-0.403	20	0		FBADRL
COCC(=O)c1ccc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227173499	845846118	/nfs/dbraw/zinc/84/61/18/845846118.db2.gz	YUTOAXQVSHPQSR-NOZJJQNGSA-N	-2	0	356.283	-0.337	20	0		FBADRL
COCC(=O)c1ccc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227173500	845845962	/nfs/dbraw/zinc/84/59/62/845845962.db2.gz	YUTOAXQVSHPQSR-RNCFNFMXSA-N	-2	0	356.283	-0.337	20	0		FBADRL
COCC(=O)c1ccc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227173501	845846015	/nfs/dbraw/zinc/84/60/15/845846015.db2.gz	YUTOAXQVSHPQSR-TVQRCGJNSA-N	-2	0	356.283	-0.337	20	0		FBADRL
COCC(=O)c1ccc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227173502	845845676	/nfs/dbraw/zinc/84/56/76/845845676.db2.gz	YUTOAXQVSHPQSR-ZANVPECISA-N	-2	0	356.283	-0.337	20	0		FBADRL
O=c1nc2[nH]ccc2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001227271170	845849211	/nfs/dbraw/zinc/84/92/11/845849211.db2.gz	RJXHNUKIXDSRKD-SECBINFHSA-N	-2	0	358.376	-0.369	20	0		FBADRL
O=c1nc2[nH]ccc2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001227271174	845849057	/nfs/dbraw/zinc/84/90/57/845849057.db2.gz	RJXHNUKIXDSRKD-VIFPVBQESA-N	-2	0	358.376	-0.369	20	0		FBADRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](O)CC(=O)[O-])c1Br	ZINC001227330927	845850542	/nfs/dbraw/zinc/85/05/42/845850542.db2.gz	XPVZBGZHWVHVSS-GSVOUGTGSA-N	-2	0	365.092	-0.528	20	0		FBADRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@@H](O)CC(=O)[O-])c1Br	ZINC001227330928	845850561	/nfs/dbraw/zinc/85/05/61/845850561.db2.gz	XPVZBGZHWVHVSS-VKHMYHEASA-N	-2	0	365.092	-0.528	20	0		FBADRL
CCOC(=O)c1cc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(O)c1	ZINC001227394686	845852500	/nfs/dbraw/zinc/85/25/00/845852500.db2.gz	FOMZQUWMJYXSEF-SECBINFHSA-N	-2	0	366.215	-0.350	20	0		FBADRL
COC(=O)c1cc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(O)c1	ZINC001227530435	845854849	/nfs/dbraw/zinc/85/48/49/845854849.db2.gz	DXRVKTXHQNELTB-MRVPVSSYSA-N	-2	0	352.188	-0.740	20	0		FBADRL
COC(=O)c1cc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(O)c1	ZINC001227531041	845855004	/nfs/dbraw/zinc/85/50/04/845855004.db2.gz	NQWGUYIQWKLYET-LDWIPMOCSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1cc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(O)c1	ZINC001227531045	845854753	/nfs/dbraw/zinc/85/47/53/845854753.db2.gz	NQWGUYIQWKLYET-LHLIQPBNSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1cc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(O)c1	ZINC001227531048	845854540	/nfs/dbraw/zinc/85/45/40/845854540.db2.gz	NQWGUYIQWKLYET-QUBYGPBYSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1cc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(O)c1	ZINC001227531049	845855079	/nfs/dbraw/zinc/85/50/79/845855079.db2.gz	NQWGUYIQWKLYET-WKEGUHRASA-N	-2	0	358.255	-0.674	20	0		FBADRL
O=C([O-])CC[C@@H](O)C(=O)Oc1[nH]c(=O)nc2nc(Br)[n-]c21	ZINC001227594200	845854924	/nfs/dbraw/zinc/85/49/24/845854924.db2.gz	KQQPWNRUDJAQLP-GSVOUGTGSA-N	-2	0	361.108	-0.048	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[n-]c(=O)c(Cl)c1Cl)[C@@H](O)C(=O)[O-]	ZINC001227605040	845854580	/nfs/dbraw/zinc/85/45/80/845854580.db2.gz	CDXXIMDFOUXEGJ-GESIXKRJSA-N	-3	0	355.086	-0.069	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[n-]c(=O)c(Cl)c1Cl)[C@H](O)C(=O)[O-]	ZINC001227605041	845854858	/nfs/dbraw/zinc/85/48/58/845854858.db2.gz	CDXXIMDFOUXEGJ-IPSUSAMASA-N	-3	0	355.086	-0.069	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1n[n-]c(=O)c(Cl)c1Cl)[C@@H](O)C(=O)[O-]	ZINC001227605042	845854821	/nfs/dbraw/zinc/85/48/21/845854821.db2.gz	CDXXIMDFOUXEGJ-LBNWCAIBSA-N	-3	0	355.086	-0.069	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1n[n-]c(=O)c(Cl)c1Cl)[C@H](O)C(=O)[O-]	ZINC001227605043	845854629	/nfs/dbraw/zinc/85/46/29/845854629.db2.gz	CDXXIMDFOUXEGJ-TXXFKFMOSA-N	-3	0	355.086	-0.069	20	0		FBADRL
COC(=O)c1cc(Cl)nnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227726969	845857544	/nfs/dbraw/zinc/85/75/44/845857544.db2.gz	QDNALRHGPRCYBZ-NVNXEXLPSA-N	-2	0	362.678	-0.642	20	0		FBADRL
COC(=O)c1cc(Cl)nnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227726973	845857110	/nfs/dbraw/zinc/85/71/10/845857110.db2.gz	QDNALRHGPRCYBZ-RNHFCUEFSA-N	-2	0	362.678	-0.642	20	0		FBADRL
COC(=O)c1cc(Cl)nnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227726975	845857485	/nfs/dbraw/zinc/85/74/85/845857485.db2.gz	QDNALRHGPRCYBZ-SPGJFGJESA-N	-2	0	362.678	-0.642	20	0		FBADRL
COC(=O)c1cc(Cl)nnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227726977	845857552	/nfs/dbraw/zinc/85/75/52/845857552.db2.gz	QDNALRHGPRCYBZ-VHWMUFPASA-N	-2	0	362.678	-0.642	20	0		FBADRL
COC(=O)c1cc(Cl)nnc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227728310	845857118	/nfs/dbraw/zinc/85/71/18/845857118.db2.gz	YIRIKRNYUQBPKU-RXMQYKEDSA-N	-2	0	356.611	-0.708	20	0		FBADRL
Cn1ccc2nc(Cl)nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21	ZINC001227790815	845860934	/nfs/dbraw/zinc/86/09/34/845860934.db2.gz	OIUGJNVDGOYVLC-ZCFIWIBFSA-N	-2	0	351.639	-0.003	20	0		FBADRL
COc1cc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc[nH]c-2cc1=O	ZINC001227800128	845860790	/nfs/dbraw/zinc/86/07/90/845860790.db2.gz	BGKTXZWTQZRMIO-SECBINFHSA-N	-2	0	360.215	-0.280	20	0		FBADRL
CCOC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001227805879	845861304	/nfs/dbraw/zinc/86/13/04/845861304.db2.gz	PSWDFPHZVZLFSK-GWCFXTLKSA-N	-2	0	355.299	-0.371	20	0		FBADRL
CCOC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001227805883	845860605	/nfs/dbraw/zinc/86/06/05/845860605.db2.gz	PSWDFPHZVZLFSK-GXFFZTMASA-N	-2	0	355.299	-0.371	20	0		FBADRL
CCOC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001227805887	845860692	/nfs/dbraw/zinc/86/06/92/845860692.db2.gz	PSWDFPHZVZLFSK-MFKMUULPSA-N	-2	0	355.299	-0.371	20	0		FBADRL
CCOC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001227805889	845860621	/nfs/dbraw/zinc/86/06/21/845860621.db2.gz	PSWDFPHZVZLFSK-ZWNOBZJWSA-N	-2	0	355.299	-0.371	20	0		FBADRL
O=c1nc2cc[nH]c2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001227806190	845861026	/nfs/dbraw/zinc/86/10/26/845861026.db2.gz	GLSQVBROXZZZCJ-SECBINFHSA-N	-2	0	358.376	-0.369	20	0		FBADRL
O=c1nc2cc[nH]c2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001227806302	845860448	/nfs/dbraw/zinc/86/04/48/845860448.db2.gz	GLSQVBROXZZZCJ-VIFPVBQESA-N	-2	0	358.376	-0.369	20	0		FBADRL
CCOC(=O)c1cc(Cl)nnc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227960646	845866383	/nfs/dbraw/zinc/86/63/83/845866383.db2.gz	LYHCAPXOFRQRDI-ZCFIWIBFSA-N	-2	0	370.638	-0.318	20	0		FBADRL
O=c1nc2cccnc2c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001228011172	845868064	/nfs/dbraw/zinc/86/80/64/845868064.db2.gz	XPNSWCZPDQSYSI-JTQLQIEISA-N	-2	0	370.387	-0.302	20	0		FBADRL
O=c1nc2cccnc2c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001228011173	845868261	/nfs/dbraw/zinc/86/82/61/845868261.db2.gz	XPNSWCZPDQSYSI-SNVBAGLBSA-N	-2	0	370.387	-0.302	20	0		FBADRL
CCOC(=O)c1cc(O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001228035266	845867652	/nfs/dbraw/zinc/86/76/52/845867652.db2.gz	AZNNQXHRGAVUCC-SNVBAGLBSA-N	-2	0	350.216	-0.056	20	0		FBADRL
CCOC(=O)c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001228104908	845870084	/nfs/dbraw/zinc/87/00/84/845870084.db2.gz	WOKCFNMHUYNXPE-SECBINFHSA-N	-2	0	350.216	-0.056	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OC1N=NC(=O)N1c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001228133011	845869843	/nfs/dbraw/zinc/86/98/43/845869843.db2.gz	UVHROZVRSAAPHZ-PSASIEDQSA-N	-2	0	351.271	-0.585	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)OC1N=NC(=O)N1c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001228133012	845870424	/nfs/dbraw/zinc/87/04/24/845870424.db2.gz	UVHROZVRSAAPHZ-SCZZXKLOSA-N	-2	0	351.271	-0.585	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OC1N=NC(=O)N1c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001228133014	845870091	/nfs/dbraw/zinc/87/00/91/845870091.db2.gz	UVHROZVRSAAPHZ-WCBMZHEXSA-N	-2	0	351.271	-0.585	20	0		FBADRL
O=C([O-])C[C@H](C(=O)OC1N=NC(=O)N1c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001228133016	845869750	/nfs/dbraw/zinc/86/97/50/845869750.db2.gz	UVHROZVRSAAPHZ-WPRPVWTQSA-N	-2	0	351.271	-0.585	20	0		FBADRL
COC(=O)c1cccc(OC)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228160984	845870315	/nfs/dbraw/zinc/87/03/15/845870315.db2.gz	WPJWEEJIZQGOIL-MRVPVSSYSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1cccc(OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228161266	845870035	/nfs/dbraw/zinc/87/00/35/845870035.db2.gz	XRIZNKRFTSSDRO-GZMMTYOYSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cccc(OC)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228161270	845870355	/nfs/dbraw/zinc/87/03/55/845870355.db2.gz	XRIZNKRFTSSDRO-KCJUWKMLSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cccc(OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228161271	845870365	/nfs/dbraw/zinc/87/03/65/845870365.db2.gz	XRIZNKRFTSSDRO-KWQFWETISA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cccc(OC)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228161272	845870412	/nfs/dbraw/zinc/87/04/12/845870412.db2.gz	XRIZNKRFTSSDRO-LDYMZIIASA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1	ZINC001228209072	845872967	/nfs/dbraw/zinc/87/29/67/845872967.db2.gz	JYHGNKUZZFBXQL-MRVPVSSYSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1	ZINC001228209825	845872912	/nfs/dbraw/zinc/87/29/12/845872912.db2.gz	ZIISFBYXSFUNFQ-PELKAZGASA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1	ZINC001228209826	845872850	/nfs/dbraw/zinc/87/28/50/845872850.db2.gz	ZIISFBYXSFUNFQ-PRHODGIISA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)c1	ZINC001228209827	845872805	/nfs/dbraw/zinc/87/28/05/845872805.db2.gz	ZIISFBYXSFUNFQ-QPUJVOFHSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)c1	ZINC001228209828	845872636	/nfs/dbraw/zinc/87/26/36/845872636.db2.gz	ZIISFBYXSFUNFQ-UFBFGSQYSA-N	-2	0	356.283	-0.076	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]ccc(=O)c1Br)[C@H](O)C(=O)[O-]	ZINC001228295594	845874826	/nfs/dbraw/zinc/87/48/26/845874826.db2.gz	LIONYRXBZQHZHI-NVNXEXLPSA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]ccc(=O)c1Br)[C@@H](O)C(=O)[O-]	ZINC001228295609	845875127	/nfs/dbraw/zinc/87/51/27/845875127.db2.gz	LIONYRXBZQHZHI-RNHFCUEFSA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]ccc(=O)c1Br)[C@@H](O)C(=O)[O-]	ZINC001228295610	845875081	/nfs/dbraw/zinc/87/50/81/845875081.db2.gz	LIONYRXBZQHZHI-SPGJFGJESA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]ccc(=O)c1Br)[C@H](O)C(=O)[O-]	ZINC001228295611	845875248	/nfs/dbraw/zinc/87/52/48/845875248.db2.gz	LIONYRXBZQHZHI-VHWMUFPASA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C(Oc1[nH]ccc(=O)c1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001228297075	845874866	/nfs/dbraw/zinc/87/48/66/845874866.db2.gz	VMMJFZPPDIYSCJ-RXMQYKEDSA-N	-2	0	358.037	-0.075	20	0		FBADRL
CCOC(=O)Cc1cncnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228310898	845875299	/nfs/dbraw/zinc/87/52/99/845875299.db2.gz	RGZKCOPWKKBSNZ-GZMMTYOYSA-N	-2	0	356.287	-0.976	20	0		FBADRL
CCOC(=O)Cc1cncnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228310899	845874808	/nfs/dbraw/zinc/87/48/08/845874808.db2.gz	RGZKCOPWKKBSNZ-KCJUWKMLSA-N	-2	0	356.287	-0.976	20	0		FBADRL
CCOC(=O)Cc1cncnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228310900	845874987	/nfs/dbraw/zinc/87/49/87/845874987.db2.gz	RGZKCOPWKKBSNZ-KWQFWETISA-N	-2	0	356.287	-0.976	20	0		FBADRL
CCOC(=O)Cc1cncnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228310902	845874962	/nfs/dbraw/zinc/87/49/62/845874962.db2.gz	RGZKCOPWKKBSNZ-LDYMZIIASA-N	-2	0	356.287	-0.976	20	0		FBADRL
Cc1cc(Br)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1	ZINC001228316885	845876149	/nfs/dbraw/zinc/87/61/49/845876149.db2.gz	BMFZUYHOWWKQIN-SVGQVSJJSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1cc(Br)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1	ZINC001228316886	845876406	/nfs/dbraw/zinc/87/64/06/845876406.db2.gz	BMFZUYHOWWKQIN-XNCJUZBTSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1cc(Br)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1	ZINC001228316887	845876469	/nfs/dbraw/zinc/87/64/69/845876469.db2.gz	BMFZUYHOWWKQIN-XRGYYRRGSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1cc(Br)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1	ZINC001228316888	845876221	/nfs/dbraw/zinc/87/62/21/845876221.db2.gz	BMFZUYHOWWKQIN-YLWLKBPMSA-N	-2	0	363.120	-0.011	20	0		FBADRL
Cc1cc(Br)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nn1	ZINC001228316912	845876474	/nfs/dbraw/zinc/87/64/74/845876474.db2.gz	CBQJJTQRUPYVRA-ZCFIWIBFSA-N	-2	0	357.053	-0.077	20	0		FBADRL
O=c1cn[n-]c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1Cl	ZINC001228386491	845878566	/nfs/dbraw/zinc/87/85/66/845878566.db2.gz	CVRYTCLIIAHACT-MRVPVSSYSA-N	-2	0	353.784	-0.197	20	0		FBADRL
O=c1cn[n-]c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1Cl	ZINC001228386492	845878678	/nfs/dbraw/zinc/87/86/78/845878678.db2.gz	CVRYTCLIIAHACT-QMMMGPOBSA-N	-2	0	353.784	-0.197	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2nn[n-]c2=S)cc1)[C@@H](O)C(=O)[O-]	ZINC001228438441	845879574	/nfs/dbraw/zinc/87/95/74/845879574.db2.gz	OGXFQIOLYDJCBV-PSASIEDQSA-N	-3	0	368.327	-0.607	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2nn[n-]c2=S)cc1)[C@H](O)C(=O)[O-]	ZINC001228438447	845879503	/nfs/dbraw/zinc/87/95/03/845879503.db2.gz	OGXFQIOLYDJCBV-SCZZXKLOSA-N	-3	0	368.327	-0.607	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-n2nn[n-]c2=S)cc1)[C@@H](O)C(=O)[O-]	ZINC001228438449	845879274	/nfs/dbraw/zinc/87/92/74/845879274.db2.gz	OGXFQIOLYDJCBV-WCBMZHEXSA-N	-3	0	368.327	-0.607	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-n2nn[n-]c2=S)cc1)[C@H](O)C(=O)[O-]	ZINC001228438451	845879236	/nfs/dbraw/zinc/87/92/36/845879236.db2.gz	OGXFQIOLYDJCBV-WPRPVWTQSA-N	-3	0	368.327	-0.607	20	0		FBADRL
O=C(Oc1ccc(-n2nn[n-]c2=S)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228440342	845879557	/nfs/dbraw/zinc/87/95/57/845879557.db2.gz	HIXVWSZCAVHCMI-MRVPVSSYSA-N	-3	0	362.260	-0.673	20	0		FBADRL
O=C(Oc1ncn(-c2cccc(Cl)n2)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228444934	845879571	/nfs/dbraw/zinc/87/95/71/845879571.db2.gz	FHOZCGMPUDIAOJ-ZCFIWIBFSA-N	-2	0	364.638	-0.309	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncn(-c2cccc(Cl)n2)n1)[C@H](O)C(=O)[O-]	ZINC001228446239	845879189	/nfs/dbraw/zinc/87/91/89/845879189.db2.gz	MUSCTHMAZXKSSS-LDWIPMOCSA-N	-2	0	370.705	-0.243	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncn(-c2cccc(Cl)n2)n1)[C@@H](O)C(=O)[O-]	ZINC001228446240	845879526	/nfs/dbraw/zinc/87/95/26/845879526.db2.gz	MUSCTHMAZXKSSS-LHLIQPBNSA-N	-2	0	370.705	-0.243	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ncn(-c2cccc(Cl)n2)n1)[C@@H](O)C(=O)[O-]	ZINC001228446241	845879147	/nfs/dbraw/zinc/87/91/47/845879147.db2.gz	MUSCTHMAZXKSSS-QUBYGPBYSA-N	-2	0	370.705	-0.243	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ncn(-c2cccc(Cl)n2)n1)[C@H](O)C(=O)[O-]	ZINC001228446242	845879208	/nfs/dbraw/zinc/87/92/08/845879208.db2.gz	MUSCTHMAZXKSSS-WKEGUHRASA-N	-2	0	370.705	-0.243	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc2oc(=O)ccc2cc1O)[C@H](O)C(=O)[O-]	ZINC001228478823	845879543	/nfs/dbraw/zinc/87/95/43/845879543.db2.gz	RPKKQEWTEXXIML-CPFSXVBKSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc2oc(=O)ccc2cc1O)[C@@H](O)C(=O)[O-]	ZINC001228478824	845879499	/nfs/dbraw/zinc/87/94/99/845879499.db2.gz	RPKKQEWTEXXIML-FUXBKTLASA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc2oc(=O)ccc2cc1O)[C@H](O)C(=O)[O-]	ZINC001228478825	845879281	/nfs/dbraw/zinc/87/92/81/845879281.db2.gz	RPKKQEWTEXXIML-UHLUBPPHSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc2oc(=O)ccc2cc1O)[C@@H](O)C(=O)[O-]	ZINC001228478826	845879547	/nfs/dbraw/zinc/87/95/47/845879547.db2.gz	RPKKQEWTEXXIML-WPPNPWJKSA-N	-2	0	352.251	-0.060	20	0		FBADRL
O=c1ncc(Cl)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001228481247	845879399	/nfs/dbraw/zinc/87/93/99/845879399.db2.gz	YTRFGJUIDIZGRZ-MRVPVSSYSA-N	-2	0	353.784	-0.197	20	0		FBADRL
O=c1ncc(Cl)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001228481248	845879563	/nfs/dbraw/zinc/87/95/63/845879563.db2.gz	YTRFGJUIDIZGRZ-QMMMGPOBSA-N	-2	0	353.784	-0.197	20	0		FBADRL
CCOC(=O)c1cnc(=S)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228552363	845882384	/nfs/dbraw/zinc/88/23/84/845882384.db2.gz	KSCXYMXKGHXZIM-SVGQVSJJSA-N	-2	0	374.327	-0.616	20	0		FBADRL
CCOC(=O)c1cnc(=S)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228552378	845882461	/nfs/dbraw/zinc/88/24/61/845882461.db2.gz	KSCXYMXKGHXZIM-XNCJUZBTSA-N	-2	0	374.327	-0.616	20	0		FBADRL
CCOC(=O)c1cnc(=S)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228552379	845882190	/nfs/dbraw/zinc/88/21/90/845882190.db2.gz	KSCXYMXKGHXZIM-XRGYYRRGSA-N	-2	0	374.327	-0.616	20	0		FBADRL
CCOC(=O)c1cnc(=S)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228552381	845882253	/nfs/dbraw/zinc/88/22/53/845882253.db2.gz	KSCXYMXKGHXZIM-YLWLKBPMSA-N	-2	0	374.327	-0.616	20	0		FBADRL
CCOC(=O)c1cnc(=S)[nH]c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228552924	845882285	/nfs/dbraw/zinc/88/22/85/845882285.db2.gz	QKQWMPLZHXDXMN-ZCFIWIBFSA-N	-2	0	368.260	-0.682	20	0		FBADRL
O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1n[nH]c(-c2cccnc2)n1	ZINC001228694754	845885420	/nfs/dbraw/zinc/88/54/20/845885420.db2.gz	FKUPAFZKNBLAAN-GFCCVEGCSA-N	-2	0	369.403	-0.166	20	0		FBADRL
O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1n[nH]c(-c2cccnc2)n1	ZINC001228694757	845885712	/nfs/dbraw/zinc/88/57/12/845885712.db2.gz	FKUPAFZKNBLAAN-LBPRGKRZSA-N	-2	0	369.403	-0.166	20	0		FBADRL
O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1n[nH]c(-c2ccncc2)n1	ZINC001228698641	845885781	/nfs/dbraw/zinc/88/57/81/845885781.db2.gz	ZEVLRHCFIVDMNU-GFCCVEGCSA-N	-2	0	369.403	-0.166	20	0		FBADRL
O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1n[nH]c(-c2ccncc2)n1	ZINC001228698642	845886061	/nfs/dbraw/zinc/88/60/61/845886061.db2.gz	ZEVLRHCFIVDMNU-LBPRGKRZSA-N	-2	0	369.403	-0.166	20	0		FBADRL
Nc1nccc(Br)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228754682	845886380	/nfs/dbraw/zinc/88/63/80/845886380.db2.gz	CPFKFKKRDKFQEK-RXMQYKEDSA-N	-2	0	357.053	-0.198	20	0		FBADRL
Nc1nccc(Br)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228757509	845886400	/nfs/dbraw/zinc/88/64/00/845886400.db2.gz	UYTDTJRLRRRTGX-CLZZGJSISA-N	-2	0	363.120	-0.132	20	0		FBADRL
Nc1nccc(Br)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228757515	845886520	/nfs/dbraw/zinc/88/65/20/845886520.db2.gz	UYTDTJRLRRRTGX-FBCQKBJTSA-N	-2	0	363.120	-0.132	20	0		FBADRL
Nc1nccc(Br)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228757519	845886944	/nfs/dbraw/zinc/88/69/44/845886944.db2.gz	UYTDTJRLRRRTGX-FFWSUHOLSA-N	-2	0	363.120	-0.132	20	0		FBADRL
Nc1nccc(Br)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228757523	845886533	/nfs/dbraw/zinc/88/65/33/845886533.db2.gz	UYTDTJRLRRRTGX-MHTLYPKNSA-N	-2	0	363.120	-0.132	20	0		FBADRL
Cn1ncc2c1nc(Cl)nc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228775323	845886577	/nfs/dbraw/zinc/88/65/77/845886577.db2.gz	HBEQYQOWWWHTAD-CLZZGJSISA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1ncc2c1nc(Cl)nc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228775329	845887044	/nfs/dbraw/zinc/88/70/44/845887044.db2.gz	HBEQYQOWWWHTAD-FBCQKBJTSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1ncc2c1nc(Cl)nc2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228775330	845887065	/nfs/dbraw/zinc/88/70/65/845887065.db2.gz	HBEQYQOWWWHTAD-FFWSUHOLSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1ncc2c1nc(Cl)nc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228775332	845886819	/nfs/dbraw/zinc/88/68/19/845886819.db2.gz	HBEQYQOWWWHTAD-MHTLYPKNSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1ncc2c1nc(Cl)nc2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228776786	845887003	/nfs/dbraw/zinc/88/70/03/845887003.db2.gz	UYNTVEXKQGLQTE-RXMQYKEDSA-N	-2	0	352.627	-0.608	20	0		FBADRL
Cc1nc2c(c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1)CSCC2	ZINC001228825200	845889407	/nfs/dbraw/zinc/88/94/07/845889407.db2.gz	YMGQCUMVKTXDKI-SECBINFHSA-N	-2	0	350.289	-0.050	20	0		FBADRL
COC(=O)c1ccc2c(c1)ncnc2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228880572	845890308	/nfs/dbraw/zinc/89/03/08/845890308.db2.gz	DPQZGWIMKIYAEM-SNVBAGLBSA-N	-2	0	372.226	-0.208	20	0		FBADRL
O=C([O-])C[C@@H](O)C(=O)Oc1nc[n-]c(=O)c1I	ZINC001228928689	845892445	/nfs/dbraw/zinc/89/24/45/845892445.db2.gz	ZCZMMJCZHOCJSJ-GSVOUGTGSA-N	-2	0	354.056	-0.472	20	0		FBADRL
O=C([O-])C[C@H](O)C(=O)Oc1nc[n-]c(=O)c1I	ZINC001228928690	845892492	/nfs/dbraw/zinc/89/24/92/845892492.db2.gz	ZCZMMJCZHOCJSJ-VKHMYHEASA-N	-2	0	354.056	-0.472	20	0		FBADRL
O=C([O-])CC[C@@H](O)C(=O)Oc1nc[n-]c(=O)c1I	ZINC001228928850	845892181	/nfs/dbraw/zinc/89/21/81/845892181.db2.gz	BSAXFZHHFLGIDB-SCSAIBSYSA-N	-2	0	368.083	-0.082	20	0		FBADRL
O=C([O-])C[C@@H](O)C(=O)Oc1nc(I)cc(=O)[n-]1	ZINC001228946314	845892397	/nfs/dbraw/zinc/89/23/97/845892397.db2.gz	HXZPUCBTJZMBGI-GSVOUGTGSA-N	-2	0	354.056	-0.472	20	0		FBADRL
O=C([O-])C[C@H](O)C(=O)Oc1nc(I)cc(=O)[n-]1	ZINC001228946315	845892221	/nfs/dbraw/zinc/89/22/21/845892221.db2.gz	HXZPUCBTJZMBGI-VKHMYHEASA-N	-2	0	354.056	-0.472	20	0		FBADRL
O=C([O-])CC[C@@H](O)C(=O)Oc1nc(I)cc(=O)[n-]1	ZINC001228946895	845892293	/nfs/dbraw/zinc/89/22/93/845892293.db2.gz	QMMGJFLVPHSJBK-SCSAIBSYSA-N	-2	0	368.083	-0.082	20	0		FBADRL
O=C(Oc1ncc(Br)cc1O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228955911	845892269	/nfs/dbraw/zinc/89/22/69/845892269.db2.gz	MNCLJVMKSPSJOM-ZCFIWIBFSA-N	-2	0	358.037	-0.075	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncc(Br)cc1O)[C@@H](O)C(=O)[O-]	ZINC001228957783	845892606	/nfs/dbraw/zinc/89/26/06/845892606.db2.gz	WBXBFMGWMLWTAD-SVGQVSJJSA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ncc(Br)cc1O)[C@H](O)C(=O)[O-]	ZINC001228957784	845892210	/nfs/dbraw/zinc/89/22/10/845892210.db2.gz	WBXBFMGWMLWTAD-XNCJUZBTSA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncc(Br)cc1O)[C@H](O)C(=O)[O-]	ZINC001228957786	845892607	/nfs/dbraw/zinc/89/26/07/845892607.db2.gz	WBXBFMGWMLWTAD-XRGYYRRGSA-N	-2	0	364.104	-0.009	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ncc(Br)cc1O)[C@@H](O)C(=O)[O-]	ZINC001228957787	845892601	/nfs/dbraw/zinc/89/26/01/845892601.db2.gz	WBXBFMGWMLWTAD-YLWLKBPMSA-N	-2	0	364.104	-0.009	20	0		FBADRL
Cn1cnc2nc(Cl)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21	ZINC001229028881	845894217	/nfs/dbraw/zinc/89/42/17/845894217.db2.gz	FLNRPJCUNBESEP-CLZZGJSISA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1cnc2nc(Cl)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21	ZINC001229028882	845894741	/nfs/dbraw/zinc/89/47/41/845894741.db2.gz	FLNRPJCUNBESEP-FBCQKBJTSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1cnc2nc(Cl)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21	ZINC001229028883	845894558	/nfs/dbraw/zinc/89/45/58/845894558.db2.gz	FLNRPJCUNBESEP-FFWSUHOLSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1cnc2nc(Cl)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21	ZINC001229029127	845894404	/nfs/dbraw/zinc/89/44/04/845894404.db2.gz	FLNRPJCUNBESEP-MHTLYPKNSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1cnc2nc(Cl)nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21	ZINC001229029960	845894332	/nfs/dbraw/zinc/89/43/32/845894332.db2.gz	LCFRXRNGAOXTHX-SCSAIBSYSA-N	-2	0	352.627	-0.608	20	0		FBADRL
COC(=O)CCc1ccc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229100908	845895687	/nfs/dbraw/zinc/89/56/87/845895687.db2.gz	SWSDQGCPMYENRF-SNVBAGLBSA-N	-2	0	364.243	-0.127	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(O)cc2oc(=O)ccc12)[C@@H](O)C(=O)[O-]	ZINC001229130886	845896914	/nfs/dbraw/zinc/89/69/14/845896914.db2.gz	FJHRHKCYIIVCHO-AMIZOPFISA-N	-3	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(O)cc2oc(=O)ccc12)[C@@H](O)C(=O)[O-]	ZINC001229130887	845896531	/nfs/dbraw/zinc/89/65/31/845896531.db2.gz	FJHRHKCYIIVCHO-ISVAXAHUSA-N	-3	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(O)cc2oc(=O)ccc12)[C@H](O)C(=O)[O-]	ZINC001229130888	845896470	/nfs/dbraw/zinc/89/64/70/845896470.db2.gz	FJHRHKCYIIVCHO-OQPBUACISA-N	-3	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(O)cc2oc(=O)ccc12)[C@H](O)C(=O)[O-]	ZINC001229130889	845896430	/nfs/dbraw/zinc/89/64/30/845896430.db2.gz	FJHRHKCYIIVCHO-SDBXPKJASA-N	-3	0	352.251	-0.060	20	0		FBADRL
COc1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229140108	845896544	/nfs/dbraw/zinc/89/65/44/845896544.db2.gz	UDWKVSJIFMCYLZ-SECBINFHSA-N	-3	0	360.215	-0.280	20	0		FBADRL
COc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C(F)(F)F)n1	ZINC001229152585	845896818	/nfs/dbraw/zinc/89/68/18/845896818.db2.gz	RZELQQQZTPCBEA-NVNXEXLPSA-N	-2	0	368.220	-0.054	20	0		FBADRL
COc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C(F)(F)F)n1	ZINC001229152588	845896328	/nfs/dbraw/zinc/89/63/28/845896328.db2.gz	RZELQQQZTPCBEA-RNHFCUEFSA-N	-2	0	368.220	-0.054	20	0		FBADRL
COc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C(F)(F)F)n1	ZINC001229152592	845896757	/nfs/dbraw/zinc/89/67/57/845896757.db2.gz	RZELQQQZTPCBEA-SPGJFGJESA-N	-2	0	368.220	-0.054	20	0		FBADRL
COc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C(F)(F)F)n1	ZINC001229152594	845896799	/nfs/dbraw/zinc/89/67/99/845896799.db2.gz	RZELQQQZTPCBEA-VHWMUFPASA-N	-2	0	368.220	-0.054	20	0		FBADRL
COc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(C(F)(F)F)n1	ZINC001229152643	845896460	/nfs/dbraw/zinc/89/64/60/845896460.db2.gz	SJXRJVRYMNHMCV-SCSAIBSYSA-N	-2	0	362.153	-0.120	20	0		FBADRL
COc1cccc2nc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21	ZINC001229243864	845900075	/nfs/dbraw/zinc/90/00/75/845900075.db2.gz	XUAWKKNTWZPVDA-SSDOTTSWSA-N	-2	0	360.215	-0.280	20	0		FBADRL
COC(=O)c1cc(OC)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001229259929	845900098	/nfs/dbraw/zinc/90/00/98/845900098.db2.gz	PDCJTUNFTFTYCR-SNVBAGLBSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1cc(OC)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229260407	845900608	/nfs/dbraw/zinc/90/06/08/845900608.db2.gz	RXOFBHVJJGMBTJ-CMPLNLGQSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(OC)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229260408	845900133	/nfs/dbraw/zinc/90/01/33/845900133.db2.gz	RXOFBHVJJGMBTJ-JQWIXIFHSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(OC)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229260409	845900431	/nfs/dbraw/zinc/90/04/31/845900431.db2.gz	RXOFBHVJJGMBTJ-PWSUYJOCSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(OC)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229260410	845900729	/nfs/dbraw/zinc/90/07/29/845900729.db2.gz	RXOFBHVJJGMBTJ-ZYHUDNBSSA-N	-2	0	356.283	-0.076	20	0		FBADRL
CC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(N)=O)c1	ZINC001229336477	845902492	/nfs/dbraw/zinc/90/24/92/845902492.db2.gz	SQTJKQDXFYWUCV-BXKDBHETSA-N	-2	0	353.283	-0.570	20	0		FBADRL
CC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(N)=O)c1	ZINC001229336482	845902602	/nfs/dbraw/zinc/90/26/02/845902602.db2.gz	SQTJKQDXFYWUCV-CABZTGNLSA-N	-2	0	353.283	-0.570	20	0		FBADRL
CC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C(N)=O)c1	ZINC001229336484	845902803	/nfs/dbraw/zinc/90/28/03/845902803.db2.gz	SQTJKQDXFYWUCV-JOYOIKCWSA-N	-2	0	353.283	-0.570	20	0		FBADRL
CC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C(N)=O)c1	ZINC001229336486	845902376	/nfs/dbraw/zinc/90/23/76/845902376.db2.gz	SQTJKQDXFYWUCV-SKDRFNHKSA-N	-2	0	353.283	-0.570	20	0		FBADRL
COc1cc(-c2nn[nH]n2)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229339353	845903000	/nfs/dbraw/zinc/90/30/00/845903000.db2.gz	BLGABDQXRZUSSG-SSDOTTSWSA-N	-2	0	360.219	-0.749	20	0		FBADRL
CCOC(=O)Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cs1	ZINC001229420670	845904319	/nfs/dbraw/zinc/90/43/19/845904319.db2.gz	FYOOCSAVNIDUBE-KBUNVGBDSA-N	-2	0	361.328	-0.310	20	0		FBADRL
CCOC(=O)Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cs1	ZINC001229420673	845904216	/nfs/dbraw/zinc/90/42/16/845904216.db2.gz	FYOOCSAVNIDUBE-KGFZYKRKSA-N	-2	0	361.328	-0.310	20	0		FBADRL
CCOC(=O)Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cs1	ZINC001229420674	845904340	/nfs/dbraw/zinc/90/43/40/845904340.db2.gz	FYOOCSAVNIDUBE-KSBSHMNSSA-N	-2	0	361.328	-0.310	20	0		FBADRL
CCOC(=O)Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cs1	ZINC001229420675	845903957	/nfs/dbraw/zinc/90/39/57/845903957.db2.gz	FYOOCSAVNIDUBE-UPONEAKYSA-N	-2	0	361.328	-0.310	20	0		FBADRL
CCOC(=O)Cc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cs1	ZINC001229420904	845904048	/nfs/dbraw/zinc/90/40/48/845904048.db2.gz	HPODZGLWIKHQNR-ZCFIWIBFSA-N	-2	0	355.261	-0.376	20	0		FBADRL
COc1cc(/C=C\C(N)=O)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229493825	845906091	/nfs/dbraw/zinc/90/60/91/845906091.db2.gz	PWYYBICFHLGUJT-AZVKUDOFSA-N	-2	0	361.243	-0.431	20	0		FBADRL
COc1cc(/C=C/C(N)=O)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229493826	845906226	/nfs/dbraw/zinc/90/62/26/845906226.db2.gz	PWYYBICFHLGUJT-HYYFJVDXSA-N	-2	0	361.243	-0.431	20	0		FBADRL
CC(=O)OCCc1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001229620315	845908523	/nfs/dbraw/zinc/90/85/23/845908523.db2.gz	LYHDIATUWZELGF-LLVKDONJSA-N	-2	0	364.243	-0.127	20	0		FBADRL
CC(=O)NCCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001229669207	845909505	/nfs/dbraw/zinc/90/95/05/845909505.db2.gz	TZWSBFOEACZRCF-GXTWGEPZSA-N	-2	0	353.327	-0.193	20	0		FBADRL
CC(=O)NCCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001229669210	845909847	/nfs/dbraw/zinc/90/98/47/845909847.db2.gz	TZWSBFOEACZRCF-JSGCOSHPSA-N	-2	0	353.327	-0.193	20	0		FBADRL
CC(=O)NCCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001229669212	845909686	/nfs/dbraw/zinc/90/96/86/845909686.db2.gz	TZWSBFOEACZRCF-OCCSQVGLSA-N	-2	0	353.327	-0.193	20	0		FBADRL
CC(=O)NCCc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001229669214	845909772	/nfs/dbraw/zinc/90/97/72/845909772.db2.gz	TZWSBFOEACZRCF-TZMCWYRMSA-N	-2	0	353.327	-0.193	20	0		FBADRL
COC(=O)c1cc2c(c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1)OCO2	ZINC001229686969	845909378	/nfs/dbraw/zinc/90/93/78/845909378.db2.gz	FXVDJCMEFTVBHE-SSDOTTSWSA-N	-2	0	364.199	-0.423	20	0		FBADRL
CCOC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229745858	845911864	/nfs/dbraw/zinc/91/18/64/845911864.db2.gz	BHLBNKNBYLPINA-MRVPVSSYSA-N	-2	0	366.215	-0.350	20	0		FBADRL
COC(=O)Cc1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001229797972	845911939	/nfs/dbraw/zinc/91/19/39/845911939.db2.gz	CLKPEKSBPXSMQU-SECBINFHSA-N	-2	0	350.216	-0.517	20	0		FBADRL
COC(=O)Cc1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229799241	845911571	/nfs/dbraw/zinc/91/15/71/845911571.db2.gz	YBPONRNXRJZEFC-AMIZOPFISA-N	-2	0	356.283	-0.451	20	0		FBADRL
COC(=O)Cc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229799242	845912022	/nfs/dbraw/zinc/91/20/22/845912022.db2.gz	YBPONRNXRJZEFC-ISVAXAHUSA-N	-2	0	356.283	-0.451	20	0		FBADRL
COC(=O)Cc1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229799243	845911585	/nfs/dbraw/zinc/91/15/85/845911585.db2.gz	YBPONRNXRJZEFC-OQPBUACISA-N	-2	0	356.283	-0.451	20	0		FBADRL
COC(=O)Cc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229799244	845911638	/nfs/dbraw/zinc/91/16/38/845911638.db2.gz	YBPONRNXRJZEFC-SDBXPKJASA-N	-2	0	356.283	-0.451	20	0		FBADRL
O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccccc1-c1nn[nH]n1	ZINC001229954497	845915639	/nfs/dbraw/zinc/91/56/39/845915639.db2.gz	LNPIZSLRWJOMPD-LLVKDONJSA-N	-2	0	369.403	-0.166	20	0		FBADRL
O=c1[n-]cnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1Cl	ZINC001230015640	845917819	/nfs/dbraw/zinc/91/78/19/845917819.db2.gz	ZCYSOKOLJYNUIA-MRVPVSSYSA-N	-2	0	353.784	-0.197	20	0		FBADRL
O=c1[n-]cnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1Cl	ZINC001230015644	845917777	/nfs/dbraw/zinc/91/77/77/845917777.db2.gz	ZCYSOKOLJYNUIA-QMMMGPOBSA-N	-2	0	353.784	-0.197	20	0		FBADRL
O=S(=O)([O-])c1cc(O)c(OC2CS(=O)(=O)C2)c(S(=O)(=O)[O-])c1	ZINC001230143963	845922214	/nfs/dbraw/zinc/92/22/14/845922214.db2.gz	KDVVPVCKMJSKAR-UHFFFAOYSA-N	-2	0	374.370	-0.939	20	0		FBADRL
NN1CCC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CC1	ZINC001230144205	845922411	/nfs/dbraw/zinc/92/24/11/845922411.db2.gz	LWHGRRSGJXRZBS-UHFFFAOYSA-N	-2	0	368.389	-0.398	20	0		FBADRL
CC(=O)N1CC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1	ZINC001230144330	845921948	/nfs/dbraw/zinc/92/19/48/845921948.db2.gz	NAQVACIPPSMXGE-UHFFFAOYSA-N	-2	0	367.357	-0.505	20	0		FBADRL
O=S(=O)([O-])c1cc(O)c(OC[C@@H]2COCCO2)c(S(=O)(=O)[O-])c1	ZINC001230144532	845922241	/nfs/dbraw/zinc/92/22/41/845922241.db2.gz	OZDUFBNISXAFOC-ZETCQYMHSA-N	-2	0	370.357	-0.320	20	0		FBADRL
O=C1OC[C@@H](COc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])O1	ZINC001230145576	845921925	/nfs/dbraw/zinc/92/19/25/845921925.db2.gz	AWZPMBMXAVLARJ-RXMQYKEDSA-N	-2	0	370.313	-0.200	20	0		FBADRL
O=C1OC[C@H](COc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])O1	ZINC001230145580	845922107	/nfs/dbraw/zinc/92/21/07/845922107.db2.gz	AWZPMBMXAVLARJ-YFKPBYRVSA-N	-2	0	370.313	-0.200	20	0		FBADRL
O=S(=O)([O-])c1cc(O)c(OC2COCOC2)c(S(=O)(=O)[O-])c1	ZINC001230145672	845922041	/nfs/dbraw/zinc/92/20/41/845922041.db2.gz	BYVDXZJDUYZHAT-UHFFFAOYSA-N	-2	0	356.330	-0.363	20	0		FBADRL
CCN1CC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1	ZINC001230145692	845922025	/nfs/dbraw/zinc/92/20/25/845922025.db2.gz	CGAQQTOYDMVOGY-UHFFFAOYSA-N	-2	0	353.374	-0.032	20	0		FBADRL
C[C@@H](O)CC(=O)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230145867	845922419	/nfs/dbraw/zinc/92/24/19/845922419.db2.gz	FKOLDFPUCZYKOZ-RXMQYKEDSA-N	-2	0	356.330	-0.438	20	0		FBADRL
O=S(=O)([O-])c1cc(O)c(OC[C@@H]2COCO2)c(S(=O)(=O)[O-])c1	ZINC001230146161	845922311	/nfs/dbraw/zinc/92/23/11/845922311.db2.gz	JCEJAJJNFNKBDE-LURJTMIESA-N	-2	0	356.330	-0.363	20	0		FBADRL
O=S(=O)([O-])c1cc(O)c(OC[C@H]2COCO2)c(S(=O)(=O)[O-])c1	ZINC001230146163	845922296	/nfs/dbraw/zinc/92/22/96/845922296.db2.gz	JCEJAJJNFNKBDE-ZCFIWIBFSA-N	-2	0	356.330	-0.363	20	0		FBADRL
CC[C@H](O)C(=O)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230146414	845922344	/nfs/dbraw/zinc/92/23/44/845922344.db2.gz	LQUUUUFYKDUKMI-LURJTMIESA-N	-2	0	356.330	-0.438	20	0		FBADRL
CC[C@@H](O)C(=O)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230146415	845922094	/nfs/dbraw/zinc/92/20/94/845922094.db2.gz	LQUUUUFYKDUKMI-ZCFIWIBFSA-N	-2	0	356.330	-0.438	20	0		FBADRL
O=C1OCCC[C@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230146968	845922270	/nfs/dbraw/zinc/92/22/70/845922270.db2.gz	MSENTUVZWQZFKY-MRVPVSSYSA-N	-2	0	368.341	-0.030	20	0		FBADRL
O=C1OCCC[C@@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230146969	845921955	/nfs/dbraw/zinc/92/19/55/845921955.db2.gz	MSENTUVZWQZFKY-QMMMGPOBSA-N	-2	0	368.341	-0.030	20	0		FBADRL
O=S(=O)([O-])c1cc(O)c(OC[C@H]2COCCO2)c(S(=O)(=O)[O-])c1	ZINC001230147035	845922365	/nfs/dbraw/zinc/92/23/65/845922365.db2.gz	OZDUFBNISXAFOC-SSDOTTSWSA-N	-2	0	370.357	-0.320	20	0		FBADRL
O=C1OCC[C@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230147161	845922224	/nfs/dbraw/zinc/92/22/24/845922224.db2.gz	SEQVJXFBARUVOP-SSDOTTSWSA-N	-2	0	354.314	-0.420	20	0		FBADRL
O=C1OCC[C@@H]1Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230147162	845922033	/nfs/dbraw/zinc/92/20/33/845922033.db2.gz	SEQVJXFBARUVOP-ZETCQYMHSA-N	-2	0	354.314	-0.420	20	0		FBADRL
COCC(COC)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230147200	845922287	/nfs/dbraw/zinc/92/22/87/845922287.db2.gz	SRRUANFBVJNQED-UHFFFAOYSA-N	-2	0	372.373	-0.074	20	0		FBADRL
O=C1CC[C@@H](COc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])O1	ZINC001230147226	845921988	/nfs/dbraw/zinc/92/19/88/845921988.db2.gz	TXODKFFMMRDPGY-LURJTMIESA-N	-2	0	368.341	-0.030	20	0		FBADRL
O=C1C[C@H](Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])CO1	ZINC001230147427	845921939	/nfs/dbraw/zinc/92/19/39/845921939.db2.gz	VXXACNODZRPLMN-YFKPBYRVSA-N	-2	0	354.314	-0.420	20	0		FBADRL
COC(=O)[C@@H](C)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230147512	845922198	/nfs/dbraw/zinc/92/21/98/845922198.db2.gz	XMPBKHKTKNKVTH-RXMQYKEDSA-N	-2	0	356.330	-0.174	20	0		FBADRL
O=c1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])nc(Cl)[n-]1	ZINC001230241911	845926814	/nfs/dbraw/zinc/92/68/14/845926814.db2.gz	SNICZOSZRONFEA-SSDOTTSWSA-N	-2	0	354.772	-0.802	20	0		FBADRL
O=c1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])nc(Cl)[n-]1	ZINC001230241912	845926860	/nfs/dbraw/zinc/92/68/60/845926860.db2.gz	SNICZOSZRONFEA-ZETCQYMHSA-N	-2	0	354.772	-0.802	20	0		FBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C	ZINC001230255804	845928244	/nfs/dbraw/zinc/92/82/44/845928244.db2.gz	KKABPONPQOOLTD-GZMMTYOYSA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C	ZINC001230255805	845927914	/nfs/dbraw/zinc/92/79/14/845927914.db2.gz	KKABPONPQOOLTD-KCJUWKMLSA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C	ZINC001230255806	845928248	/nfs/dbraw/zinc/92/82/48/845928248.db2.gz	KKABPONPQOOLTD-KWQFWETISA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C	ZINC001230255807	845928043	/nfs/dbraw/zinc/92/80/43/845928043.db2.gz	KKABPONPQOOLTD-LDYMZIIASA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1C	ZINC001230256634	845927898	/nfs/dbraw/zinc/92/78/98/845927898.db2.gz	VYUCJZYFZIIMSY-SECBINFHSA-N	-2	0	350.216	-0.137	20	0		FBADRL
COC(=O)c1ccc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001230342045	845930121	/nfs/dbraw/zinc/93/01/21/845930121.db2.gz	COSSBOBGXABLAS-ANLVUFKYSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1ccc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001230342056	845929920	/nfs/dbraw/zinc/92/99/20/845929920.db2.gz	COSSBOBGXABLAS-CDUCUWFYSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1ccc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001230342058	845929857	/nfs/dbraw/zinc/92/98/57/845929857.db2.gz	COSSBOBGXABLAS-MLUIRONXSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1ccc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001230342059	845929790	/nfs/dbraw/zinc/92/97/90/845929790.db2.gz	COSSBOBGXABLAS-SSDLBLMSSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1ccc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001230343902	845930086	/nfs/dbraw/zinc/93/00/86/845930086.db2.gz	XWGIVSUAJXIPKW-SSDOTTSWSA-N	-2	0	355.623	-0.103	20	0		FBADRL
CCOC(=O)Cc1ccc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001230403521	845932404	/nfs/dbraw/zinc/93/24/04/845932404.db2.gz	ZHEPXQQQWQRPDT-SNVBAGLBSA-N	-2	0	364.243	-0.127	20	0		FBADRL
COC(=O)c1cnc(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001230652471	845939658	/nfs/dbraw/zinc/93/96/58/845939658.db2.gz	SXQPBXOZNCSNAX-SSDOTTSWSA-N	-2	0	351.204	-0.748	20	0		FBADRL
COC(=O)c1cnc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001230652639	845939746	/nfs/dbraw/zinc/93/97/46/845939746.db2.gz	VZTGECXTTXIZQH-GMSGAONNSA-N	-2	0	357.271	-0.681	20	0		FBADRL
COC(=O)c1cnc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001230652640	845939856	/nfs/dbraw/zinc/93/98/56/845939856.db2.gz	VZTGECXTTXIZQH-OIBJUYFYSA-N	-2	0	357.271	-0.681	20	0		FBADRL
COC(=O)c1cnc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001230652641	845939423	/nfs/dbraw/zinc/93/94/23/845939423.db2.gz	VZTGECXTTXIZQH-XCBNKYQSSA-N	-2	0	357.271	-0.681	20	0		FBADRL
COC(=O)c1cnc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001230652642	845939673	/nfs/dbraw/zinc/93/96/73/845939673.db2.gz	VZTGECXTTXIZQH-XVKPBYJWSA-N	-2	0	357.271	-0.681	20	0		FBADRL
COc1ccc2nc(=O)[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1	ZINC001230862358	845941800	/nfs/dbraw/zinc/94/18/00/845941800.db2.gz	OGVKTWXAVPKTBS-SECBINFHSA-N	-3	0	360.215	-0.280	20	0		FBADRL
COC(=O)c1c(C)cc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001230873434	845941719	/nfs/dbraw/zinc/94/17/19/845941719.db2.gz	ADWZGTOQHJEYPM-MRVPVSSYSA-N	-2	0	350.216	-0.137	20	0		FBADRL
COC(=O)c1c(C)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230875180	845941693	/nfs/dbraw/zinc/94/16/93/845941693.db2.gz	KZBDEFNFCIAATC-PELKAZGASA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1c(C)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230875181	845941439	/nfs/dbraw/zinc/94/14/39/845941439.db2.gz	KZBDEFNFCIAATC-PRHODGIISA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1c(C)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230875182	845941616	/nfs/dbraw/zinc/94/16/16/845941616.db2.gz	KZBDEFNFCIAATC-QPUJVOFHSA-N	-2	0	356.283	-0.071	20	0		FBADRL
COC(=O)c1c(C)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230875183	845941745	/nfs/dbraw/zinc/94/17/45/845941745.db2.gz	KZBDEFNFCIAATC-UFBFGSQYSA-N	-2	0	356.283	-0.071	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cc(F)ccc21)[C@@H](O)C(=O)[O-]	ZINC001230882435	845942478	/nfs/dbraw/zinc/94/24/78/845942478.db2.gz	FQTALCZYRXDEPV-GMSGAONNSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cc(F)ccc21)[C@@H](O)C(=O)[O-]	ZINC001230882444	845942629	/nfs/dbraw/zinc/94/26/29/845942629.db2.gz	FQTALCZYRXDEPV-OIBJUYFYSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cc(F)ccc21)[C@H](O)C(=O)[O-]	ZINC001230882445	845942505	/nfs/dbraw/zinc/94/25/05/845942505.db2.gz	FQTALCZYRXDEPV-XCBNKYQSSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cc(F)ccc21)[C@H](O)C(=O)[O-]	ZINC001230882447	845942934	/nfs/dbraw/zinc/94/29/34/845942934.db2.gz	FQTALCZYRXDEPV-XVKPBYJWSA-N	-3	0	354.246	-0.084	20	0		FBADRL
COC(=O)[C@@H]1Cc2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2O1	ZINC001231000567	845943773	/nfs/dbraw/zinc/94/37/73/845943773.db2.gz	JBIPZQQUUHVMEG-KOLCDFICSA-N	-2	0	362.227	-0.461	20	0		FBADRL
COC(=O)[C@H]1Cc2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2O1	ZINC001231000571	845943963	/nfs/dbraw/zinc/94/39/63/845943963.db2.gz	JBIPZQQUUHVMEG-MWLCHTKSSA-N	-2	0	362.227	-0.461	20	0		FBADRL
Cn1c2ccc(Cl)nc2nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001231040431	845945429	/nfs/dbraw/zinc/94/54/29/845945429.db2.gz	OLIGCASSVHJPKR-ZCFIWIBFSA-N	-2	0	351.639	-0.003	20	0		FBADRL
Cn1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2ccc(Cl)nc21	ZINC001231042765	845944929	/nfs/dbraw/zinc/94/49/29/845944929.db2.gz	SGKGKJVGDHWIGX-ZCFIWIBFSA-N	-2	0	351.639	-0.003	20	0		FBADRL
Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2c1ncnc2Cl	ZINC001231044737	845944920	/nfs/dbraw/zinc/94/49/20/845944920.db2.gz	OFAKIQHJXXWFQJ-CLZZGJSISA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2c1ncnc2Cl	ZINC001231044742	845945109	/nfs/dbraw/zinc/94/51/09/845945109.db2.gz	OFAKIQHJXXWFQJ-FBCQKBJTSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2c1ncnc2Cl	ZINC001231044743	845944966	/nfs/dbraw/zinc/94/49/66/845944966.db2.gz	OFAKIQHJXXWFQJ-FFWSUHOLSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2c1ncnc2Cl	ZINC001231044744	845945441	/nfs/dbraw/zinc/94/54/41/845945441.db2.gz	OFAKIQHJXXWFQJ-MHTLYPKNSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c1ncnc2Cl	ZINC001231045651	845945346	/nfs/dbraw/zinc/94/53/46/845945346.db2.gz	ZEMPMZCFHDAMRS-SCSAIBSYSA-N	-2	0	352.627	-0.608	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cccc(F)c21)[C@H](O)C(=O)[O-]	ZINC001231073834	845946286	/nfs/dbraw/zinc/94/62/86/845946286.db2.gz	JWWFYXICGMOCQD-FWOIEVBISA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cccc(F)c21)[C@@H](O)C(=O)[O-]	ZINC001231073835	845946310	/nfs/dbraw/zinc/94/63/10/845946310.db2.gz	JWWFYXICGMOCQD-GPXNAGAYSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cccc(F)c21)[C@H](O)C(=O)[O-]	ZINC001231073836	845946478	/nfs/dbraw/zinc/94/64/78/845946478.db2.gz	JWWFYXICGMOCQD-RRAGMBSWSA-N	-3	0	354.246	-0.084	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cccc(F)c21)[C@@H](O)C(=O)[O-]	ZINC001231073837	845946106	/nfs/dbraw/zinc/94/61/06/845946106.db2.gz	JWWFYXICGMOCQD-XUOSJQGZSA-N	-3	0	354.246	-0.084	20	0		FBADRL
Cn1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2cc(Cl)cnc21	ZINC001231088722	845946229	/nfs/dbraw/zinc/94/62/29/845946229.db2.gz	RDPIJNCVRMWJBR-SSDOTTSWSA-N	-2	0	351.639	-0.003	20	0		FBADRL
Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2cnc(Cl)nc21	ZINC001231109313	845946321	/nfs/dbraw/zinc/94/63/21/845946321.db2.gz	REYKALUDIPZMIU-CLZZGJSISA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2cnc(Cl)nc21	ZINC001231109314	845946471	/nfs/dbraw/zinc/94/64/71/845946471.db2.gz	REYKALUDIPZMIU-FBCQKBJTSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2cnc(Cl)nc21	ZINC001231109315	845945947	/nfs/dbraw/zinc/94/59/47/845945947.db2.gz	REYKALUDIPZMIU-FFWSUHOLSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2cnc(Cl)nc21	ZINC001231109316	845945981	/nfs/dbraw/zinc/94/59/81/845945981.db2.gz	REYKALUDIPZMIU-MHTLYPKNSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2cnc(Cl)nc21	ZINC001231109727	845946252	/nfs/dbraw/zinc/94/62/52/845946252.db2.gz	WQPJVIBYIXAHJO-RXMQYKEDSA-N	-2	0	352.627	-0.608	20	0		FBADRL
COC(=O)c1cc(F)c(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001231111670	845945936	/nfs/dbraw/zinc/94/59/36/845945936.db2.gz	XOOZVZGWDJIFPB-MRVPVSSYSA-N	-2	0	368.206	-0.004	20	0		FBADRL
Cn1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2ncnc(Cl)c21	ZINC001231112056	845946493	/nfs/dbraw/zinc/94/64/93/845946493.db2.gz	DIHXSSVIGSAZDA-SCSAIBSYSA-N	-2	0	352.627	-0.608	20	0		FBADRL
Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2ncnc(Cl)c21	ZINC001231112690	845946210	/nfs/dbraw/zinc/94/62/10/845946210.db2.gz	ODMVRMZUHKDJDW-CLZZGJSISA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2ncnc(Cl)c21	ZINC001231112691	845946395	/nfs/dbraw/zinc/94/63/95/845946395.db2.gz	ODMVRMZUHKDJDW-FBCQKBJTSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2ncnc(Cl)c21	ZINC001231112692	845946360	/nfs/dbraw/zinc/94/63/60/845946360.db2.gz	ODMVRMZUHKDJDW-FFWSUHOLSA-N	-2	0	358.694	-0.542	20	0		FBADRL
Cn1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2ncnc(Cl)c21	ZINC001231112693	845946261	/nfs/dbraw/zinc/94/62/61/845946261.db2.gz	ODMVRMZUHKDJDW-MHTLYPKNSA-N	-2	0	358.694	-0.542	20	0		FBADRL
CCOC(=O)c1c(C)[nH]c(=O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001231163445	845947907	/nfs/dbraw/zinc/94/79/07/845947907.db2.gz	GESNWEFZGZKJHZ-SSDOTTSWSA-N	-2	0	365.231	-0.352	20	0		FBADRL
COC(=O)c1cnc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001231175285	845948410	/nfs/dbraw/zinc/94/84/10/845948410.db2.gz	UZYBYCSRVBPRQL-HZGVNTEJSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cnc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001231175286	845948455	/nfs/dbraw/zinc/94/84/55/845948455.db2.gz	UZYBYCSRVBPRQL-IMTBSYHQSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cnc(Cl)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001231175287	845948727	/nfs/dbraw/zinc/94/87/27/845948727.db2.gz	UZYBYCSRVBPRQL-MUWHJKNJSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cnc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001231175288	845948657	/nfs/dbraw/zinc/94/86/57/845948657.db2.gz	UZYBYCSRVBPRQL-RCOVLWMOSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cnc(Cl)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001231175789	845948497	/nfs/dbraw/zinc/94/84/97/845948497.db2.gz	WVGTWYARQCRUDS-ZCFIWIBFSA-N	-2	0	355.623	-0.103	20	0		FBADRL
COc1ccc(C(C)=O)c(O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001231326714	845951486	/nfs/dbraw/zinc/95/14/86/845951486.db2.gz	HSONIRMNUWVTIU-MRVPVSSYSA-N	-2	0	350.216	-0.021	20	0		FBADRL
COC(=O)/C=C/c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001231330597	845951240	/nfs/dbraw/zinc/95/12/40/845951240.db2.gz	NVFIMYKTMMLOFF-RXNUUUNCSA-N	-2	0	362.227	-0.046	20	0		FBADRL
COC(=O)/C=C\c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001231330598	845951288	/nfs/dbraw/zinc/95/12/88/845951288.db2.gz	NVFIMYKTMMLOFF-TZGMSPROSA-N	-2	0	362.227	-0.046	20	0		FBADRL
COc1cccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])[nH]c(=O)nc12	ZINC001231346974	845952243	/nfs/dbraw/zinc/95/22/43/845952243.db2.gz	DGKAACORJAMARQ-SSDOTTSWSA-N	-2	0	360.215	-0.280	20	0		FBADRL
COC(=O)c1cc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(OC)c1	ZINC001231348493	845952307	/nfs/dbraw/zinc/95/23/07/845952307.db2.gz	FPVHYIVKZTVCGG-MRVPVSSYSA-N	-2	0	366.215	-0.437	20	0		FBADRL
O=c1cc(Cl)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n[n-]1	ZINC001233586666	845999722	/nfs/dbraw/zinc/99/97/22/845999722.db2.gz	HRHWMTWWZAZVIW-MRVPVSSYSA-N	-2	0	353.784	-0.197	20	0		FBADRL
O=c1cc(Cl)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n[n-]1	ZINC001233586682	845999751	/nfs/dbraw/zinc/99/97/51/845999751.db2.gz	HRHWMTWWZAZVIW-QMMMGPOBSA-N	-2	0	353.784	-0.197	20	0		FBADRL
COc1cc2[nH]nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2cc1OC	ZINC001233619279	846000631	/nfs/dbraw/zinc/00/06/31/846000631.db2.gz	VRTGHRCAVQRMKZ-MRVPVSSYSA-N	-2	0	362.231	-0.044	20	0		FBADRL
Cn1cnc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2c1=O	ZINC001233774711	846003283	/nfs/dbraw/zinc/00/32/83/846003283.db2.gz	WZAKBTOBHXFTDY-BXKDBHETSA-N	-2	0	350.283	-0.625	20	0		FBADRL
Cn1cnc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2c1=O	ZINC001233774714	846003537	/nfs/dbraw/zinc/00/35/37/846003537.db2.gz	WZAKBTOBHXFTDY-CABZTGNLSA-N	-2	0	350.283	-0.625	20	0		FBADRL
Cn1cnc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2c1=O	ZINC001233774715	846003380	/nfs/dbraw/zinc/00/33/80/846003380.db2.gz	WZAKBTOBHXFTDY-JOYOIKCWSA-N	-2	0	350.283	-0.625	20	0		FBADRL
Cn1cnc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2c1=O	ZINC001233774716	846002949	/nfs/dbraw/zinc/00/29/49/846002949.db2.gz	WZAKBTOBHXFTDY-SKDRFNHKSA-N	-2	0	350.283	-0.625	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc2occc(=O)c12)[C@H](O)C(=O)[O-]	ZINC001233834954	846004638	/nfs/dbraw/zinc/00/46/38/846004638.db2.gz	RCGNRBDUPOQVDT-CPFSXVBKSA-N	-3	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc2occc(=O)c12)[C@@H](O)C(=O)[O-]	ZINC001233834955	846004644	/nfs/dbraw/zinc/00/46/44/846004644.db2.gz	RCGNRBDUPOQVDT-FUXBKTLASA-N	-3	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc2occc(=O)c12)[C@H](O)C(=O)[O-]	ZINC001233834956	846004162	/nfs/dbraw/zinc/00/41/62/846004162.db2.gz	RCGNRBDUPOQVDT-UHLUBPPHSA-N	-3	0	352.251	-0.060	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc2occc(=O)c12)[C@@H](O)C(=O)[O-]	ZINC001233834957	846004784	/nfs/dbraw/zinc/00/47/84/846004784.db2.gz	RCGNRBDUPOQVDT-WPPNPWJKSA-N	-3	0	352.251	-0.060	20	0		FBADRL
COC(=O)c1cc2ccncc2nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233883485	846006640	/nfs/dbraw/zinc/00/66/40/846006640.db2.gz	LNQCHFLZSIOIPP-SNVBAGLBSA-N	-2	0	372.226	-0.208	20	0		FBADRL
COC(=O)c1ccc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1	ZINC001233901592	846006814	/nfs/dbraw/zinc/00/68/14/846006814.db2.gz	LHMBNMRNCLPQHY-SNVBAGLBSA-N	-2	0	372.226	-0.208	20	0		FBADRL
C=CS(=O)(=O)CC(CS(=O)(=O)C=C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233934383	846007139	/nfs/dbraw/zinc/00/71/39/846007139.db2.gz	KUOWXYNYAWEULQ-UHFFFAOYSA-N	-2	0	374.400	-0.490	20	0		FBADRL
CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4[nH]c(=O)nc5cn[n-]c54)C(=O)O[C@@H]3[C@H]2O1	ZINC001233939074	846006927	/nfs/dbraw/zinc/00/69/27/846006927.db2.gz	HDNDKEFCFIVUSL-DADSOTLSSA-N	-2	0	350.287	-0.805	20	0		FBADRL
O=c1nc2cn[n-]c2c(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[nH]1	ZINC001233942489	846006950	/nfs/dbraw/zinc/00/69/50/846006950.db2.gz	CWRGYJLMMLEODQ-SECBINFHSA-O	-2	0	352.352	-0.367	20	0		FBADRL
O=c1nc2cn[n-]c2c(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])[nH]1	ZINC001233942492	846006979	/nfs/dbraw/zinc/00/69/79/846006979.db2.gz	CWRGYJLMMLEODQ-VIFPVBQESA-O	-2	0	352.352	-0.367	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc(N2CCOCC2)c1)[C@@H](O)C(=O)[O-]	ZINC001233998199	846007910	/nfs/dbraw/zinc/00/79/10/846007910.db2.gz	GBOZSUIPRWVCCB-GXTWGEPZSA-N	-2	0	353.327	-0.035	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc(N2CCOCC2)c1)[C@H](O)C(=O)[O-]	ZINC001233998202	846008068	/nfs/dbraw/zinc/00/80/68/846008068.db2.gz	GBOZSUIPRWVCCB-JSGCOSHPSA-N	-2	0	353.327	-0.035	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc(N2CCOCC2)c1)[C@H](O)C(=O)[O-]	ZINC001233998204	846008010	/nfs/dbraw/zinc/00/80/10/846008010.db2.gz	GBOZSUIPRWVCCB-OCCSQVGLSA-N	-2	0	353.327	-0.035	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc(N2CCOCC2)c1)[C@@H](O)C(=O)[O-]	ZINC001233998206	846007653	/nfs/dbraw/zinc/00/76/53/846007653.db2.gz	GBOZSUIPRWVCCB-TZMCWYRMSA-N	-2	0	353.327	-0.035	20	0		FBADRL
COC(=O)c1ccc2[nH]nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1	ZINC001234033835	846007994	/nfs/dbraw/zinc/00/79/94/846007994.db2.gz	ZKPNSWKBOBFOET-SECBINFHSA-N	-2	0	360.215	-0.275	20	0		FBADRL
COC(=O)c1cccc2nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])[n-]c21	ZINC001234042622	846008883	/nfs/dbraw/zinc/00/88/83/846008883.db2.gz	AHOOSUYKJJLIIY-MRVPVSSYSA-N	-3	0	360.215	-0.275	20	0		FBADRL
COC(=O)c1cc(O)c(OC)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001234084796	846009140	/nfs/dbraw/zinc/00/91/40/846009140.db2.gz	HSAKFMPOLCCPJI-MRVPVSSYSA-N	-2	0	366.215	-0.437	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC	ZINC001234096504	846009271	/nfs/dbraw/zinc/00/92/71/846009271.db2.gz	DGHOIPLBGHZVCV-BXKDBHETSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC	ZINC001234096505	846009346	/nfs/dbraw/zinc/00/93/46/846009346.db2.gz	DGHOIPLBGHZVCV-CABZTGNLSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1OC	ZINC001234096506	846009422	/nfs/dbraw/zinc/00/94/22/846009422.db2.gz	DGHOIPLBGHZVCV-JOYOIKCWSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1OC	ZINC001234096507	846008903	/nfs/dbraw/zinc/00/89/03/846008903.db2.gz	DGHOIPLBGHZVCV-SKDRFNHKSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1OC	ZINC001234098525	846009227	/nfs/dbraw/zinc/00/92/27/846009227.db2.gz	RZEQLJJRUJWBGZ-SECBINFHSA-N	-2	0	350.216	-0.143	20	0		FBADRL
NC(=O)/C=C\c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001234158067	846010204	/nfs/dbraw/zinc/01/02/04/846010204.db2.gz	JQSPVUWGAYHICA-DSEVPHBXSA-N	-2	0	353.283	-0.668	20	0		FBADRL
NC(=O)/C=C\c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001234158072	846010594	/nfs/dbraw/zinc/01/05/94/846010594.db2.gz	JQSPVUWGAYHICA-HULYABFWSA-N	-2	0	353.283	-0.668	20	0		FBADRL
NC(=O)/C=C/c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001234158074	846009982	/nfs/dbraw/zinc/00/99/82/846009982.db2.gz	JQSPVUWGAYHICA-UBYHCNMCSA-N	-2	0	353.283	-0.668	20	0		FBADRL
NC(=O)/C=C/c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001234158076	846010331	/nfs/dbraw/zinc/01/03/31/846010331.db2.gz	JQSPVUWGAYHICA-XQEGFVLMSA-N	-2	0	353.283	-0.668	20	0		FBADRL
O=C(Oc1ccc(OP(=O)([O-])[O-])cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001234334315	846012986	/nfs/dbraw/zinc/01/29/86/846012986.db2.gz	GMCPYZNBVCTIRK-MRVPVSSYSA-N	-4	0	358.132	-0.466	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(OP(=O)([O-])[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001234334805	846012920	/nfs/dbraw/zinc/01/29/20/846012920.db2.gz	HPHHHGGXMRCOLR-PSASIEDQSA-N	-3	0	364.199	-0.400	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(OP(=O)([O-])[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001234334806	846012655	/nfs/dbraw/zinc/01/26/55/846012655.db2.gz	HPHHHGGXMRCOLR-SCZZXKLOSA-N	-3	0	364.199	-0.400	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(OP(=O)([O-])[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001234334807	846012592	/nfs/dbraw/zinc/01/25/92/846012592.db2.gz	HPHHHGGXMRCOLR-WCBMZHEXSA-N	-3	0	364.199	-0.400	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(OP(=O)([O-])[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001234334808	846013595	/nfs/dbraw/zinc/01/35/95/846013595.db2.gz	HPHHHGGXMRCOLR-WPRPVWTQSA-N	-4	0	364.199	-0.400	20	0		FBADRL
COC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234354332	846013692	/nfs/dbraw/zinc/01/36/92/846013692.db2.gz	UHHFLQWHVCHXOY-KBUNVGBDSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1c(O)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234354335	846013827	/nfs/dbraw/zinc/01/38/27/846013827.db2.gz	UHHFLQWHVCHXOY-KGFZYKRKSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234354339	846013956	/nfs/dbraw/zinc/01/39/56/846013956.db2.gz	UHHFLQWHVCHXOY-KSBSHMNSSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1c(O)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234354342	846013614	/nfs/dbraw/zinc/01/36/14/846013614.db2.gz	UHHFLQWHVCHXOY-UPONEAKYSA-N	-2	0	358.255	-0.674	20	0		FBADRL
COC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234355188	846013662	/nfs/dbraw/zinc/01/36/62/846013662.db2.gz	ZDPWWOZCQYPKAF-SSDOTTSWSA-N	-2	0	352.188	-0.740	20	0		FBADRL
COC(=O)C(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001234445914	846014579	/nfs/dbraw/zinc/01/45/79/846014579.db2.gz	VKWQEHQTMGYSTN-BXKDBHETSA-N	-2	0	354.267	-0.516	20	0		FBADRL
COC(=O)C(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001234445921	846014879	/nfs/dbraw/zinc/01/48/79/846014879.db2.gz	VKWQEHQTMGYSTN-CABZTGNLSA-N	-2	0	354.267	-0.516	20	0		FBADRL
COC(=O)C(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001234445922	846014447	/nfs/dbraw/zinc/01/44/47/846014447.db2.gz	VKWQEHQTMGYSTN-JOYOIKCWSA-N	-2	0	354.267	-0.516	20	0		FBADRL
COC(=O)C(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001234445923	846014267	/nfs/dbraw/zinc/01/42/67/846014267.db2.gz	VKWQEHQTMGYSTN-SKDRFNHKSA-N	-2	0	354.267	-0.516	20	0		FBADRL
NC(=O)c1ccc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1	ZINC001234523564	846015867	/nfs/dbraw/zinc/01/58/67/846015867.db2.gz	FSQREPRCYQHBBP-SECBINFHSA-N	-2	0	357.215	-0.896	20	0		FBADRL
COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F	ZINC001234533365	846015794	/nfs/dbraw/zinc/01/57/94/846015794.db2.gz	CHZZVLPIJYWDCG-NOZJJQNGSA-N	-2	0	358.274	-0.017	20	0		FBADRL
COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F	ZINC001234533374	846015814	/nfs/dbraw/zinc/01/58/14/846015814.db2.gz	CHZZVLPIJYWDCG-RNCFNFMXSA-N	-2	0	358.274	-0.017	20	0		FBADRL
COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F	ZINC001234533375	846015859	/nfs/dbraw/zinc/01/58/59/846015859.db2.gz	CHZZVLPIJYWDCG-TVQRCGJNSA-N	-2	0	358.274	-0.017	20	0		FBADRL
COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F	ZINC001234533376	846015654	/nfs/dbraw/zinc/01/56/54/846015654.db2.gz	CHZZVLPIJYWDCG-ZANVPECISA-N	-2	0	358.274	-0.017	20	0		FBADRL
COC(=O)Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F	ZINC001234534247	846015808	/nfs/dbraw/zinc/01/58/08/846015808.db2.gz	MRNWYOQUUKILMM-SNVBAGLBSA-N	-2	0	352.207	-0.083	20	0		FBADRL
Cc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Br)c(=O)[n-]1	ZINC001234569774	846016895	/nfs/dbraw/zinc/01/68/95/846016895.db2.gz	UAXMWXHZTCSBDS-SCSAIBSYSA-N	-3	0	373.052	-0.371	20	0		FBADRL
COC(=O)c1c(OC)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234602725	846016592	/nfs/dbraw/zinc/01/65/92/846016592.db2.gz	QLIGQKDRJVJTBP-SSDOTTSWSA-N	-2	0	350.216	-0.143	20	0		FBADRL
COC(=O)c1c(OC)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234603079	846017107	/nfs/dbraw/zinc/01/71/07/846017107.db2.gz	VDDLAFCIRPWZHU-JMCQJSRRSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1c(OC)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234603091	846017035	/nfs/dbraw/zinc/01/70/35/846017035.db2.gz	VDDLAFCIRPWZHU-JVXZTZIISA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1c(OC)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234603093	846016627	/nfs/dbraw/zinc/01/66/27/846016627.db2.gz	VDDLAFCIRPWZHU-KRTXAFLBSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1c(OC)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234603096	846016575	/nfs/dbraw/zinc/01/65/75/846016575.db2.gz	VDDLAFCIRPWZHU-MADCSZMMSA-N	-2	0	356.283	-0.076	20	0		FBADRL
COC(=O)c1cc(F)c(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234606429	846016884	/nfs/dbraw/zinc/01/68/84/846016884.db2.gz	BSEGWUBREFLABY-NVNXEXLPSA-N	-3	0	361.234	-0.845	20	0		FBADRL
COC(=O)c1cc(F)c(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234606430	846016989	/nfs/dbraw/zinc/01/69/89/846016989.db2.gz	BSEGWUBREFLABY-RNHFCUEFSA-N	-3	0	361.234	-0.845	20	0		FBADRL
COC(=O)c1cc(F)c(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234606431	846017088	/nfs/dbraw/zinc/01/70/88/846017088.db2.gz	BSEGWUBREFLABY-SPGJFGJESA-N	-3	0	361.234	-0.845	20	0		FBADRL
COC(=O)c1cc(F)c(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234606432	846016844	/nfs/dbraw/zinc/01/68/44/846016844.db2.gz	BSEGWUBREFLABY-VHWMUFPASA-N	-3	0	361.234	-0.845	20	0		FBADRL
COC(=O)c1cc(F)c(=O)[n-]c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234606911	846016655	/nfs/dbraw/zinc/01/66/55/846016655.db2.gz	ROMPUDLOIMHEPG-ZCFIWIBFSA-N	-3	0	355.167	-0.912	20	0		FBADRL
CN1CCc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc2C1=O	ZINC001234613397	846016924	/nfs/dbraw/zinc/01/69/24/846016924.db2.gz	UHWJAKDGNNPGRZ-AAEUAGOBSA-N	-2	0	351.311	-0.244	20	0		FBADRL
CN1CCc2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc2C1=O	ZINC001234613398	846017063	/nfs/dbraw/zinc/01/70/63/846017063.db2.gz	UHWJAKDGNNPGRZ-DGCLKSJQSA-N	-2	0	351.311	-0.244	20	0		FBADRL
CN1CCc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc2C1=O	ZINC001234613399	846016616	/nfs/dbraw/zinc/01/66/16/846016616.db2.gz	UHWJAKDGNNPGRZ-WCQYABFASA-N	-2	0	351.311	-0.244	20	0		FBADRL
CN1CCc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc2C1=O	ZINC001234613400	846016878	/nfs/dbraw/zinc/01/68/78/846016878.db2.gz	UHWJAKDGNNPGRZ-YPMHNXCESA-N	-2	0	351.311	-0.244	20	0		FBADRL
COC(=O)c1ncc2cccnc2c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234622013	846016971	/nfs/dbraw/zinc/01/69/71/846016971.db2.gz	XVDDGHJIJZRSME-MRVPVSSYSA-N	-2	0	372.226	-0.208	20	0		FBADRL
Nc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(Br)n1	ZINC001234657642	846017663	/nfs/dbraw/zinc/01/76/63/846017663.db2.gz	FUEQQRHFQFKOSU-SCSAIBSYSA-N	-2	0	357.053	-0.198	20	0		FBADRL
Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Br)n1	ZINC001234660239	846017754	/nfs/dbraw/zinc/01/77/54/846017754.db2.gz	HRRGXRLADUTQBW-NVNXEXLPSA-N	-2	0	363.120	-0.132	20	0		FBADRL
Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Br)n1	ZINC001234660241	846017696	/nfs/dbraw/zinc/01/76/96/846017696.db2.gz	HRRGXRLADUTQBW-RNHFCUEFSA-N	-2	0	363.120	-0.132	20	0		FBADRL
Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(Br)n1	ZINC001234660243	846017857	/nfs/dbraw/zinc/01/78/57/846017857.db2.gz	HRRGXRLADUTQBW-SPGJFGJESA-N	-2	0	363.120	-0.132	20	0		FBADRL
Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(Br)n1	ZINC001234660245	846017718	/nfs/dbraw/zinc/01/77/18/846017718.db2.gz	HRRGXRLADUTQBW-VHWMUFPASA-N	-2	0	363.120	-0.132	20	0		FBADRL
COc1cc(O)cc(C(C)=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234789026	846021558	/nfs/dbraw/zinc/02/15/58/846021558.db2.gz	DQFQDZXQANLCAF-SECBINFHSA-N	-2	0	350.216	-0.021	20	0		FBADRL
CCOC(=O)c1cn(C(C)=O)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234839429	846022731	/nfs/dbraw/zinc/02/27/31/846022731.db2.gz	CHWXAUFQVAQOCT-MRVPVSSYSA-N	-2	0	366.219	-0.905	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2c1SCCC2)[C@@H](O)C(=O)[O-]	ZINC001234908163	846023882	/nfs/dbraw/zinc/02/38/82/846023882.db2.gz	AOCGDHJYESJYCW-SVGQVSJJSA-N	-2	0	358.328	-0.338	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2c1SCCC2)[C@H](O)C(=O)[O-]	ZINC001234908168	846023819	/nfs/dbraw/zinc/02/38/19/846023819.db2.gz	AOCGDHJYESJYCW-XNCJUZBTSA-N	-2	0	358.328	-0.338	20	0		FBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2c1SCCC2)[C@H](O)C(=O)[O-]	ZINC001234908176	846023619	/nfs/dbraw/zinc/02/36/19/846023619.db2.gz	AOCGDHJYESJYCW-XRGYYRRGSA-N	-2	0	358.328	-0.338	20	0		FBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2c1SCCC2)[C@@H](O)C(=O)[O-]	ZINC001234908182	846023889	/nfs/dbraw/zinc/02/38/89/846023889.db2.gz	AOCGDHJYESJYCW-YLWLKBPMSA-N	-2	0	358.328	-0.338	20	0		FBADRL
O=C(Oc1[nH]c(=O)nc2c1SCCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001234924222	846023736	/nfs/dbraw/zinc/02/37/36/846023736.db2.gz	VDKSJYPFGBQPKS-ZCFIWIBFSA-N	-2	0	352.261	-0.404	20	0		FBADRL
COC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cnc1Cl	ZINC001234956772	846024420	/nfs/dbraw/zinc/02/44/20/846024420.db2.gz	HCZAHAXATUPAIK-SSDOTTSWSA-N	-2	0	355.623	-0.103	20	0		FBADRL
COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cnc1Cl	ZINC001234959164	846024704	/nfs/dbraw/zinc/02/47/04/846024704.db2.gz	ULNXPIADINMBRJ-HZGVNTEJSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cnc1Cl	ZINC001234959166	846024484	/nfs/dbraw/zinc/02/44/84/846024484.db2.gz	ULNXPIADINMBRJ-IMTBSYHQSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cnc1Cl	ZINC001234959169	846024780	/nfs/dbraw/zinc/02/47/80/846024780.db2.gz	ULNXPIADINMBRJ-MUWHJKNJSA-N	-2	0	361.690	-0.037	20	0		FBADRL
COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cnc1Cl	ZINC001234959172	846024510	/nfs/dbraw/zinc/02/45/10/846024510.db2.gz	ULNXPIADINMBRJ-RCOVLWMOSA-N	-2	0	361.690	-0.037	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1C[C@H](c2ccccc2)CS1(=O)=O)[C@@H](O)C(=O)[O-]	ZINC001250408040	846131338	/nfs/dbraw/zinc/13/13/38/846131338.db2.gz	MSYIPQZXPIYKBZ-GMXVVIOVSA-N	-2	0	371.367	-0.521	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1C[C@H](c2ccccc2)CS1(=O)=O)[C@H](O)C(=O)[O-]	ZINC001250408041	846131599	/nfs/dbraw/zinc/13/15/99/846131599.db2.gz	MSYIPQZXPIYKBZ-GVXVVHGQSA-N	-2	0	371.367	-0.521	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1C[C@@H](c2ccccc2)CS1(=O)=O)[C@H](O)C(=O)[O-]	ZINC001250408043	846131323	/nfs/dbraw/zinc/13/13/23/846131323.db2.gz	MSYIPQZXPIYKBZ-MDZLAQPJSA-N	-2	0	371.367	-0.521	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1C[C@@H](c2ccccc2)CS1(=O)=O)[C@@H](O)C(=O)[O-]	ZINC001250408045	846131534	/nfs/dbraw/zinc/13/15/34/846131534.db2.gz	MSYIPQZXPIYKBZ-NTZNESFSSA-N	-2	0	371.367	-0.521	20	0		FBADRL
O=C([C@H](O)COP(=O)([O-])[O-])N1C[C@@H](c2ccccc2)CS1(=O)=O	ZINC001250409367	846131604	/nfs/dbraw/zinc/13/16/04/846131604.db2.gz	SQLWLPGKINDZFX-GHMZBOCLSA-N	-2	0	365.300	-0.588	20	0		FBADRL
O=C([C@H](O)COP(=O)([O-])[O-])N1C[C@H](c2ccccc2)CS1(=O)=O	ZINC001250409368	846131683	/nfs/dbraw/zinc/13/16/83/846131683.db2.gz	SQLWLPGKINDZFX-WDEREUQCSA-N	-2	0	365.300	-0.588	20	0		FBADRL
O=C([C@H](O)COP(=O)([O-])[O-])N1CC[C@H](c2ccccc2)S1(=O)=O	ZINC001250416580	846131482	/nfs/dbraw/zinc/13/14/82/846131482.db2.gz	HTOIWBJIOVYVQA-GHMZBOCLSA-N	-2	0	365.300	-0.240	20	0		FBADRL
O=C([C@H](O)COP(=O)([O-])[O-])N1CC[C@@H](c2ccccc2)S1(=O)=O	ZINC001250416581	846131679	/nfs/dbraw/zinc/13/16/79/846131679.db2.gz	HTOIWBJIOVYVQA-MNOVXSKESA-N	-2	0	365.300	-0.240	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1CC[C@H](c2ccccc2)S1(=O)=O)[C@@H](O)C(=O)[O-]	ZINC001250418212	846131502	/nfs/dbraw/zinc/13/15/02/846131502.db2.gz	VSHWHLNMSXPRGD-DMDPSCGWSA-N	-2	0	371.367	-0.174	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1CC[C@@H](c2ccccc2)S1(=O)=O)[C@@H](O)C(=O)[O-]	ZINC001250418215	846131475	/nfs/dbraw/zinc/13/14/75/846131475.db2.gz	VSHWHLNMSXPRGD-GMXVVIOVSA-N	-2	0	371.367	-0.174	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1CC[C@@H](c2ccccc2)S1(=O)=O)[C@H](O)C(=O)[O-]	ZINC001250418217	846131636	/nfs/dbraw/zinc/13/16/36/846131636.db2.gz	VSHWHLNMSXPRGD-GVXVVHGQSA-N	-2	0	371.367	-0.174	20	0		FBADRL
O=C([O-])C[C@H](C(=O)N1CC[C@H](c2ccccc2)S1(=O)=O)[C@H](O)C(=O)[O-]	ZINC001250418219	846131630	/nfs/dbraw/zinc/13/16/30/846131630.db2.gz	VSHWHLNMSXPRGD-LOWVWBTDSA-N	-2	0	371.367	-0.174	20	0		FBADRL
CN(C)S(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001251086844	846142346	/nfs/dbraw/zinc/14/23/46/846142346.db2.gz	CNZCMUMTCISZJA-UHFFFAOYSA-N	-2	0	360.391	-0.602	20	0		FBADRL
CCOC[C@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001252036666	846171629	/nfs/dbraw/zinc/17/16/29/846171629.db2.gz	QVHZLXCFYGAVRB-MRVPVSSYSA-N	-2	0	355.390	-0.011	20	0		FBADRL
CCOC[C@@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001252036668	846171960	/nfs/dbraw/zinc/17/19/60/846171960.db2.gz	QVHZLXCFYGAVRB-QMMMGPOBSA-N	-2	0	355.390	-0.011	20	0		FBADRL
COC(=O)[C@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001252429955	846188958	/nfs/dbraw/zinc/18/89/58/846188958.db2.gz	VYAOQQOSJONRCL-MRVPVSSYSA-N	-2	0	355.346	-0.874	20	0		FBADRL
COC(=O)[C@@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001252429956	846189147	/nfs/dbraw/zinc/18/91/47/846189147.db2.gz	VYAOQQOSJONRCL-QMMMGPOBSA-N	-2	0	355.346	-0.874	20	0		FBADRL
C[C@H](Cn1cnc2c1ncnc2[N-]S(C)(=O)=O)OC[P@@](=O)([O-])O	ZINC001252634789	846194599	/nfs/dbraw/zinc/19/45/99/846194599.db2.gz	DDXUMMXVDNOSMF-SSDOTTSWSA-N	-3	0	365.308	-0.262	20	0		FBADRL
CS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O	ZINC001252635245	846195083	/nfs/dbraw/zinc/19/50/83/846195083.db2.gz	MOLMFFMFBGUUAG-UHFFFAOYSA-N	-3	0	351.281	-0.650	20	0		FBADRL
CCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O	ZINC001253277333	846215388	/nfs/dbraw/zinc/21/53/88/846215388.db2.gz	IGWVGBPZTGGYHH-UHFFFAOYSA-N	-2	0	365.308	-0.260	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]c2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)c1	ZINC001259000180	846425864	/nfs/dbraw/zinc/42/58/64/846425864.db2.gz	QBQGZFHZNYPLTA-UHFFFAOYSA-N	-2	0	372.428	-0.161	20	0		FBADRL
Cn1cnc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)c1	ZINC001259000786	846425911	/nfs/dbraw/zinc/42/59/11/846425911.db2.gz	RQIVCRPEZQSZQT-UHFFFAOYSA-N	-2	0	359.389	-0.422	20	0		FBADRL
COC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001259017422	846426569	/nfs/dbraw/zinc/42/65/69/846426569.db2.gz	UWHIGLLDQATQHY-UHFFFAOYSA-N	-2	0	350.374	-0.574	20	0		FBADRL
COC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1[O-]	ZINC001259025034	846429933	/nfs/dbraw/zinc/42/99/33/846429933.db2.gz	NOLYRFVIWCMHQB-UHFFFAOYSA-N	-2	0	352.390	-0.443	20	0		FBADRL
COC(=O)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)OC)cc1	ZINC001259026084	846431357	/nfs/dbraw/zinc/43/13/57/846431357.db2.gz	JLHSZHWZRJAAME-UHFFFAOYSA-N	-2	0	366.373	-0.354	20	0		FBADRL
COC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC001259026716	846431386	/nfs/dbraw/zinc/43/13/86/846431386.db2.gz	UPHCDODVBVJWMA-UHFFFAOYSA-N	-2	0	352.390	-0.443	20	0		FBADRL
COC(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)C(N)=O)ccc1[O-]	ZINC001259027385	846431617	/nfs/dbraw/zinc/43/16/17/846431617.db2.gz	VJNXGPHKQBTNDL-UHFFFAOYSA-N	-2	0	352.346	-0.427	20	0		FBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001259148301	846434792	/nfs/dbraw/zinc/43/47/92/846434792.db2.gz	XYEALIIJUUUXOX-UHFFFAOYSA-N	-2	0	359.318	-0.522	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)cn1	ZINC001259827214	846442636	/nfs/dbraw/zinc/44/26/36/846442636.db2.gz	MCFYNJHRZPIBIZ-UHFFFAOYSA-N	-2	0	372.428	-0.161	20	0		FBADRL
Cn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)cn1	ZINC001259827462	846442457	/nfs/dbraw/zinc/44/24/57/846442457.db2.gz	ZYWSFJLFSKKUGI-UHFFFAOYSA-N	-2	0	359.389	-0.422	20	0		FBADRL
Cn1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)n1	ZINC001259944457	846448649	/nfs/dbraw/zinc/44/86/49/846448649.db2.gz	ZAEJKAJANLHTRK-UHFFFAOYSA-N	-2	0	359.389	-0.422	20	0		FBADRL
Cn1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)n1	ZINC001259944647	846448521	/nfs/dbraw/zinc/44/85/21/846448521.db2.gz	JUJIOBGQRQDLJE-UHFFFAOYSA-N	-2	0	372.428	-0.161	20	0		FBADRL
CN1C(=O)Cc2cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc21	ZINC001260163682	846456699	/nfs/dbraw/zinc/45/66/99/846456699.db2.gz	YEYATGKABPPJLF-UHFFFAOYSA-N	-2	0	350.289	-0.407	20	0		FBADRL
O=C([N-]CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)C(F)(F)F	ZINC001260177759	846458773	/nfs/dbraw/zinc/45/87/73/846458773.db2.gz	MFQJDQJVTXWXTP-UHFFFAOYSA-N	-2	0	372.716	-0.266	20	0		FBADRL
O=P([O-])([O-])OCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179881	846458865	/nfs/dbraw/zinc/45/88/65/846458865.db2.gz	YCJSRPSATADPMQ-UHFFFAOYSA-N	-3	0	357.672	-0.835	20	0		FBADRL
C[C@H]1[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)C(=O)N1S(=O)(=O)[O-]	ZINC001260192208	846459798	/nfs/dbraw/zinc/45/97/98/846459798.db2.gz	WLONKSWGACKFHX-RCOVLWMOSA-N	-2	0	364.357	-0.935	20	0		FBADRL
CN(C)C(=O)c1nc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)no1	ZINC001260229626	846460553	/nfs/dbraw/zinc/46/05/53/846460553.db2.gz	USJMERMNSLIBJM-UHFFFAOYSA-N	-2	0	354.344	-0.052	20	0		FBADRL
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C(=O)N1S(=O)(=O)[O-]	ZINC001260229993	846460625	/nfs/dbraw/zinc/46/06/25/846460625.db2.gz	XCNGMVBTNMICTH-RCOVLWMOSA-N	-2	0	364.357	-0.935	20	0		FBADRL
COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260401695	846463047	/nfs/dbraw/zinc/46/30/47/846463047.db2.gz	BGFHEEIIJIKNAN-VIFPVBQESA-N	-2	0	361.328	-0.225	20	0		FBADRL
CS(=O)(=O)c1ccccc1S(=O)(=O)NCCOP(=O)([O-])[O-]	ZINC001260523738	846464790	/nfs/dbraw/zinc/46/47/90/846464790.db2.gz	KPOSVRJVEHLSNP-UHFFFAOYSA-N	-2	0	359.318	-0.522	20	0		FBADRL
Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cn1C	ZINC001260547764	846465805	/nfs/dbraw/zinc/46/58/05/846465805.db2.gz	FDBKJVUXTYQSJU-UHFFFAOYSA-N	-2	0	356.385	-0.039	20	0		FBADRL
Cc1nc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(N)=O)cc2)cn1C	ZINC001260549101	846465760	/nfs/dbraw/zinc/46/57/60/846465760.db2.gz	ZFTQWJOZVKZJGR-UHFFFAOYSA-N	-2	0	373.416	-0.114	20	0		FBADRL
CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260583206	846466748	/nfs/dbraw/zinc/46/67/48/846466748.db2.gz	TXHZONYXGQWAAE-UHFFFAOYSA-N	-2	0	357.431	-0.070	20	0		FBADRL
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)cc1	ZINC001260583230	846466860	/nfs/dbraw/zinc/46/68/60/846466860.db2.gz	VFGPUVRAGRPEPI-UHFFFAOYSA-N	-2	0	370.430	-0.745	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c([O-])c1	ZINC001260591594	846471908	/nfs/dbraw/zinc/47/19/08/846471908.db2.gz	AGTPLTBHWKCZNU-UHFFFAOYSA-N	-2	0	372.446	-0.614	20	0		FBADRL
COc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(S(=O)(=O)[O-])c1	ZINC001260591782	846471289	/nfs/dbraw/zinc/47/12/89/846471289.db2.gz	LUXDTOZQFYXSBW-UHFFFAOYSA-N	-2	0	359.403	-0.314	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260592712	846471884	/nfs/dbraw/zinc/47/18/84/846471884.db2.gz	NSWYQDJKELZFSF-UHFFFAOYSA-N	-2	0	372.446	-0.614	20	0		FBADRL
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(S(=O)(=O)C(N)=O)ccc1[O-]	ZINC001260593409	846471858	/nfs/dbraw/zinc/47/18/58/846471858.db2.gz	LMBXXDFDKMDAGC-UHFFFAOYSA-N	-2	0	372.402	-0.598	20	0		FBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)NCCOP(=O)([O-])[O-])c1	ZINC001260607742	846474884	/nfs/dbraw/zinc/47/48/84/846474884.db2.gz	OQPYFZXZBPDXKG-UHFFFAOYSA-N	-2	0	359.318	-0.522	20	0		FBADRL
O=c1[nH]c(=O)c2cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc2[nH]1	ZINC001260619459	846476804	/nfs/dbraw/zinc/47/68/04/846476804.db2.gz	UMBCFLZGXRIJCY-UHFFFAOYSA-N	-2	0	365.260	-0.571	20	0		FBADRL
O=C1COc2ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc2N1	ZINC001260675787	846478531	/nfs/dbraw/zinc/47/85/31/846478531.db2.gz	ZUZUZYBUAULXSS-UHFFFAOYSA-N	-2	0	352.261	-0.595	20	0		FBADRL
CS(=O)(=O)[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1	ZINC001260961589	846482379	/nfs/dbraw/zinc/48/23/79/846482379.db2.gz	HAMNZWIOCAKBTR-UHFFFAOYSA-N	-2	0	358.401	-0.171	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1	ZINC001261636212	846586648	/nfs/dbraw/zinc/58/66/48/846586648.db2.gz	CBMFQYHSLUIKEC-GMSGAONNSA-N	-2	0	363.296	-0.140	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1	ZINC001261636213	846586358	/nfs/dbraw/zinc/58/63/58/846586358.db2.gz	CBMFQYHSLUIKEC-OIBJUYFYSA-N	-2	0	363.296	-0.140	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1	ZINC001261636214	846586619	/nfs/dbraw/zinc/58/66/19/846586619.db2.gz	CBMFQYHSLUIKEC-XCBNKYQSSA-N	-2	0	363.296	-0.140	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1nnc[nH]1	ZINC001261636215	846586826	/nfs/dbraw/zinc/58/68/26/846586826.db2.gz	CBMFQYHSLUIKEC-XVKPBYJWSA-N	-2	0	363.296	-0.140	20	0		FBADRL
CN1CC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)OCC1=O	ZINC001272069985	836443310	/nfs/dbraw/zinc/44/33/10/836443310.db2.gz	FRXUZUVPCZZFJY-UHFFFAOYSA-N	-2	0	356.356	-0.678	20	0		FBADRL
CN1C[C@]2(CCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)OCC1=O	ZINC001272070022	836443401	/nfs/dbraw/zinc/44/34/01/836443401.db2.gz	GVLBAYRFCWZIRB-HNNXBMFYSA-N	-2	0	370.383	-0.288	20	0		FBADRL
CN1C[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)OCC1=O	ZINC001272070025	836443241	/nfs/dbraw/zinc/44/32/41/836443241.db2.gz	GVLBAYRFCWZIRB-OAHLLOKOSA-N	-2	0	370.383	-0.288	20	0		FBADRL
CN1C(=O)COCC12CN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2	ZINC001276295724	842011683	/nfs/dbraw/zinc/01/16/83/842011683.db2.gz	GZDKDYDZVLFKIW-UHFFFAOYSA-N	-2	0	356.271	-0.159	20	0		FBADRL
CN1CC2(CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C2)OCC1=O	ZINC001276295940	842011216	/nfs/dbraw/zinc/01/12/16/842011216.db2.gz	KXZSGANGQPUGOK-UHFFFAOYSA-N	-2	0	356.271	-0.159	20	0		FBADRL
NC(=O)c1nnc2n1CCN(C(=O)c1ccccc1OP(=O)([O-])[O-])C2	ZINC001278365911	846089423	/nfs/dbraw/zinc/08/94/23/846089423.db2.gz	CVUCNJXLELXSIW-UHFFFAOYSA-N	-2	0	367.258	-0.496	20	0		FBADRL
NC(=O)C1=NO[C@@H]2CN(C(=O)c3ccccc3OP(=O)([O-])[O-])C[C@H]12	ZINC001278367241	846089370	/nfs/dbraw/zinc/08/93/70/846089370.db2.gz	YJZGNPXMFZWRCU-WCBMZHEXSA-N	-2	0	355.243	-0.530	20	0		FBADRL
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001300042473	852118553	/nfs/dbraw/zinc/11/85/53/852118553.db2.gz	GAQLAZPUUJVNAG-BQBZGAKWSA-N	-2	0	351.285	-0.253	20	0		FBADRL
C[C@@H]1C(=O)N([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C(=O)N1C	ZINC001301136611	848094921	/nfs/dbraw/zinc/09/49/21/848094921.db2.gz	YJMCLCCKKMYBLW-MRVPVSSYSA-N	-2	0	370.387	-0.430	20	0		FBADRL
C[C@H]1C(=O)N([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C(=O)N1C	ZINC001301136612	848094972	/nfs/dbraw/zinc/09/49/72/848094972.db2.gz	YJMCLCCKKMYBLW-QMMMGPOBSA-N	-2	0	370.387	-0.430	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1	ZINC001302936350	848117848	/nfs/dbraw/zinc/11/78/48/848117848.db2.gz	HNIWFUIKSYSRCO-SECBINFHSA-N	-2	0	366.403	-0.215	20	0		FBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1	ZINC001302936353	848117549	/nfs/dbraw/zinc/11/75/49/848117549.db2.gz	HNIWFUIKSYSRCO-VIFPVBQESA-N	-2	0	366.403	-0.215	20	0		FBADRL
CO[N-]C(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1	ZINC001304258544	848149304	/nfs/dbraw/zinc/14/93/04/848149304.db2.gz	KNSBEMWPTVUGOT-UHFFFAOYSA-N	-2	0	373.416	-0.310	20	0		FBADRL
O=C([N-]N1CCCNC1=O)c1ccc(C(=O)[N-]N2CCCNC2=O)o1	ZINC001320027576	848507374	/nfs/dbraw/zinc/50/73/74/848507374.db2.gz	ZQJKNRMNHODAGC-UHFFFAOYSA-N	-2	0	350.335	-0.600	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001320567542	848547254	/nfs/dbraw/zinc/54/72/54/848547254.db2.gz	HDWYTCWYZUUPRK-BQBZGAKWSA-N	-2	0	350.374	-0.302	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001320567543	848547326	/nfs/dbraw/zinc/54/73/26/848547326.db2.gz	HDWYTCWYZUUPRK-NKWVEPMBSA-N	-2	0	350.374	-0.302	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001320567544	848547087	/nfs/dbraw/zinc/54/70/87/848547087.db2.gz	HDWYTCWYZUUPRK-RNFRBKRXSA-N	-2	0	350.374	-0.302	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001320567545	848547192	/nfs/dbraw/zinc/54/71/92/848547192.db2.gz	HDWYTCWYZUUPRK-RQJHMYQMSA-N	-2	0	350.374	-0.302	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C[C@@H]1C(=O)[O-]	ZINC001320739629	848565303	/nfs/dbraw/zinc/56/53/03/848565303.db2.gz	JCPKNFGFFDTPAN-JLLWLGSASA-N	-2	0	373.387	-0.360	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@H]1C(=O)[O-]	ZINC001320739630	848565321	/nfs/dbraw/zinc/56/53/21/848565321.db2.gz	JCPKNFGFFDTPAN-MVWJERBFSA-N	-2	0	373.387	-0.360	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@@H]1C(=O)[O-]	ZINC001320739631	848565280	/nfs/dbraw/zinc/56/52/80/848565280.db2.gz	JCPKNFGFFDTPAN-WCQGTBRESA-N	-2	0	373.387	-0.360	20	0		FBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C[C@H]1C(=O)[O-]	ZINC001320739632	848565938	/nfs/dbraw/zinc/56/59/38/848565938.db2.gz	JCPKNFGFFDTPAN-YUSALJHKSA-N	-2	0	373.387	-0.360	20	0		FBADRL
COC1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CC1	ZINC001327066907	849366939	/nfs/dbraw/zinc/36/69/39/849366939.db2.gz	PXDWIZBOMBIMQB-GHMZBOCLSA-N	-2	0	350.393	-0.551	20	0		FBADRL
COC1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CC1	ZINC001327066908	849367155	/nfs/dbraw/zinc/36/71/55/849367155.db2.gz	PXDWIZBOMBIMQB-MNOVXSKESA-N	-2	0	350.393	-0.551	20	0		FBADRL
COC1CCN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CC1	ZINC001327066910	849367269	/nfs/dbraw/zinc/36/72/69/849367269.db2.gz	PXDWIZBOMBIMQB-QWRGUYRKSA-N	-2	0	350.393	-0.551	20	0		FBADRL
COC1CCN(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CC1	ZINC001327066912	849367138	/nfs/dbraw/zinc/36/71/38/849367138.db2.gz	PXDWIZBOMBIMQB-WDEREUQCSA-N	-2	0	350.393	-0.551	20	0		FBADRL
CN(CCCCNC(=O)c1cc(=O)n(C)[n-]1)C(=O)c1cc(=O)n(C)[n-]1	ZINC001328251836	849550044	/nfs/dbraw/zinc/55/00/44/849550044.db2.gz	WSZIFCVTMRVCNV-UHFFFAOYSA-N	-2	0	350.379	-0.153	20	0		FBADRL
CON(CCCNC(=O)c1cc(=O)n(C)[n-]1)C(=O)c1cc(=O)n(C)[n-]1	ZINC001328419987	849578185	/nfs/dbraw/zinc/57/81/85/849578185.db2.gz	CHQURHYLKMLYGP-UHFFFAOYSA-N	-2	0	352.351	-0.612	20	0		FBADRL
CN(CCCN(C)C(=O)c1cc(=O)n(C)[n-]1)C(=O)c1cc(=O)n(C)[n-]1	ZINC001328544297	849596645	/nfs/dbraw/zinc/59/66/45/849596645.db2.gz	FLGFMTIWQAAMSC-UHFFFAOYSA-N	-2	0	350.379	-0.201	20	0		FBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])s1	ZINC001329215145	849705480	/nfs/dbraw/zinc/70/54/80/849705480.db2.gz	AZUZQLROSPMOQO-UHFFFAOYSA-N	-2	0	350.374	-0.710	20	0		FBADRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])s1	ZINC001329217612	849705282	/nfs/dbraw/zinc/70/52/82/849705282.db2.gz	ZHVCOZYTMIYDFW-UHFFFAOYSA-N	-2	0	364.401	-0.667	20	0		FBADRL
COC1CCN(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)CC1	ZINC001330054951	849879022	/nfs/dbraw/zinc/87/90/22/849879022.db2.gz	KKSPTTQSDBYUHR-CYBMUJFWSA-N	-2	0	350.393	-0.407	20	0		FBADRL
COC1CCN(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)CC1	ZINC001330054952	849878981	/nfs/dbraw/zinc/87/89/81/849878981.db2.gz	KKSPTTQSDBYUHR-ZDUSSCGKSA-N	-2	0	350.393	-0.407	20	0		FBADRL
COCCOCCS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001330252686	849913757	/nfs/dbraw/zinc/91/37/57/849913757.db2.gz	JGXKTVBQPZSLES-UHFFFAOYSA-N	-2	0	353.393	-0.633	20	0		FBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1)OC	ZINC001330254294	849913453	/nfs/dbraw/zinc/91/34/53/849913453.db2.gz	PCFUBOOAXHIADN-JTQLQIEISA-N	-2	0	353.393	-0.635	20	0		FBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1)OC	ZINC001330254303	849914026	/nfs/dbraw/zinc/91/40/26/849914026.db2.gz	PCFUBOOAXHIADN-SNVBAGLBSA-N	-2	0	353.393	-0.635	20	0		FBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCOCC1	ZINC001330256182	849914696	/nfs/dbraw/zinc/91/46/96/849914696.db2.gz	ZGAZWPCUUAQKQP-UHFFFAOYSA-N	-2	0	373.387	-0.258	20	0		FBADRL
O=C([O-])CCCC(=O)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC001331820433	850133519	/nfs/dbraw/zinc/13/35/19/850133519.db2.gz	ZEEREOMVFMXJSK-UHFFFAOYSA-N	-2	0	368.367	-0.017	20	0		FBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC001331882656	850142578	/nfs/dbraw/zinc/14/25/78/850142578.db2.gz	CSYNTAIKWCEXAB-UHFFFAOYSA-N	-2	0	355.372	-0.150	20	0		FBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])cc2C1=O	ZINC001331883292	850141956	/nfs/dbraw/zinc/14/19/56/850141956.db2.gz	PQYANTGWDVALAN-UHFFFAOYSA-N	-2	0	354.340	-0.028	20	0		FBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001332550457	850236386	/nfs/dbraw/zinc/23/63/86/850236386.db2.gz	PKOGTUSHCGATEN-UHFFFAOYSA-N	-2	0	350.301	-0.533	20	0		FBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC001332844697	850288795	/nfs/dbraw/zinc/28/87/95/850288795.db2.gz	XZRLISZIJRDWMR-UHFFFAOYSA-N	-2	0	367.387	-0.461	20	0		FBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CCOCC1	ZINC001335428786	850633079	/nfs/dbraw/zinc/63/30/79/850633079.db2.gz	HUFQDIBJTQRALQ-UHFFFAOYSA-N	-2	0	357.388	-0.094	20	0		FBADRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1	ZINC001338387094	850876541	/nfs/dbraw/zinc/87/65/41/850876541.db2.gz	GDEDSFPXKBGFHJ-HZMBPMFUSA-N	-2	0	373.387	-0.215	20	0		FBADRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1	ZINC001338387095	850876562	/nfs/dbraw/zinc/87/65/62/850876562.db2.gz	GDEDSFPXKBGFHJ-IINYFYTJSA-N	-2	0	373.387	-0.215	20	0		FBADRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1	ZINC001338387096	850876590	/nfs/dbraw/zinc/87/65/90/850876590.db2.gz	GDEDSFPXKBGFHJ-QMTHXVAHSA-N	-2	0	373.387	-0.215	20	0		FBADRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1	ZINC001338387097	850876706	/nfs/dbraw/zinc/87/67/06/850876706.db2.gz	GDEDSFPXKBGFHJ-YGRLFVJLSA-N	-2	0	373.387	-0.215	20	0		FBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	ZINC001347177369	851765827	/nfs/dbraw/zinc/76/58/27/851765827.db2.gz	DNCKRHRSCUTFGP-UHFFFAOYSA-N	-2	0	350.374	-0.158	20	0		FBADRL
C[C@H](CCCNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC001347795641	851825927	/nfs/dbraw/zinc/82/59/27/851825927.db2.gz	QHSABGITGUDYGW-SECBINFHSA-N	-2	0	350.379	-0.107	20	0		FBADRL
C[C@@H](CCCNC(=O)c1cc(=O)n(C)[n-]1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC001347795642	851825591	/nfs/dbraw/zinc/82/55/91/851825591.db2.gz	QHSABGITGUDYGW-VIFPVBQESA-N	-2	0	350.379	-0.107	20	0		FBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC001348483014	851870151	/nfs/dbraw/zinc/87/01/51/851870151.db2.gz	STQNYFIQWWBBMG-UHFFFAOYSA-N	-2	0	355.372	-0.150	20	0		FBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])cc2n(C)c1=O	ZINC001348483092	851870332	/nfs/dbraw/zinc/87/03/32/851870332.db2.gz	WOWWUJPCPPTUBD-UHFFFAOYSA-N	-2	0	355.372	-0.063	20	0		FBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(=O)[nH]n1	ZINC001350356062	851984442	/nfs/dbraw/zinc/98/44/42/851984442.db2.gz	WZDLQPQMKYQJNF-HZGVNTEJSA-N	-2	0	362.264	-0.082	20	0		FBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(=O)[nH]n1	ZINC001350356067	851984907	/nfs/dbraw/zinc/98/49/07/851984907.db2.gz	WZDLQPQMKYQJNF-IMTBSYHQSA-N	-2	0	362.264	-0.082	20	0		FBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(=O)[nH]n1	ZINC001350356070	851984550	/nfs/dbraw/zinc/98/45/50/851984550.db2.gz	WZDLQPQMKYQJNF-MUWHJKNJSA-N	-2	0	362.264	-0.082	20	0		FBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(=O)[nH]n1	ZINC001350356072	851984516	/nfs/dbraw/zinc/98/45/16/851984516.db2.gz	WZDLQPQMKYQJNF-RCOVLWMOSA-N	-2	0	362.264	-0.082	20	0		FBADRL